Experimental methodologies for fatigue lifetime prediction are time-intensive and susceptible to environmental variables. While the cohesive zone model is popular for predicting adhesive fatigue lifetime, entropy-based methods have also shown promise. This study aims to provide an understanding of the durability characteristics of CFRP adhesive joints by incorporating an entropy damage model within the context of the finite element method (FEM), examined the effects of different adhesive layer thicknesses on SLS models. As the adhesive layer increased in thickness, DAMAGE VARIABLES initially rose and then declined, peaking at 0.3mm. This finding provides crucial understanding into the stress behavior at the resin-CFRP interface and the resin's fatigue mechanisms.

This research delves into the impact of complex low-speed wake flow structures on the aerodynamic characteristics of objects downstream. It employs the proper orthogonal decomposition (POD) method and the domain precursor simulation method to compare traditional methods and validate this approach. The study generates several flow structures of parallel dual-cylinder wakes with different scales and spacing. The variations in the aerodynamic coefficient of three downstream objects at various times passing through wakes of varying scales are appropriately compared and analyzed. The study establishes that the wake with a cylinder spacing of G=1.5 has a more compact and concentrated modal structure than that with a cylinder spacing of G=0.35. Smaller objects are more responsive to the wake flow structure with a spacing of G=1.5, whereas larger objects respond more to the flow structure with a spacing of G=0.35. The achieved results also reveal that the aerodynamic force coefficients of objects passing through the wakefield at different times are closely related to the temporal characteristics of the wake flow structure with different scales.

For enhancing the efficiency of cantilever casting the construction in the bridge, a novel rhombus traveling track of hanging basket was developed and optimized. The civil software titled Midas was applied to analyse the mechanical properties of the hanging basket with full load and control load. The strength and distortion of the walking mechanism were within the specified range when the maximum beam unit internal force of 149.69Mpa, which was less than the allowable stress of steel 175Mpa, and the anti-overturning safety factor of the hanging basket was 2.5 to meet the requirements. Through the comparative analysis of the key components and the finite element calculation, it was found that there was about 30% redundancy in the structure performance. Therefore, further optimization of each structure was carried out, and the front elevation of the main truss of 20° was achieved. It obtained the best performance in all aspects.

The objective of this study is to investigate the use of excavation behavior prediction and analysis software in the field of civil en-gineering. PLAXIS and SoilWorks, widely used in the engineering and academic communities, were employed as research tools for analyzing gravel layers and deriving appropriate ranges of soil elastic modulus for different software programs. By collecting excavation cases in the Xindian area of New Taipei City, Taiwan, and conducting deep excavation analysis using the displacement of retaining walls, this study provides recommended ranges for localized selection of soil elastic modulus. The suggested range for PLAXIS is 7,840 N/m² to 9,800 N/m², while Soil-Works suggests a range of 2,450 N/m² to 3,430 N/m². These ranges allow for reasonable estimation of maximum deformations during the final excavation stage. Based on the research findings, it is recommended that engineers refer to the provided ranges when selecting soil elastic modulus for excavation analysis in gravel layers using different soft-ware programs in the Xindian area of Taiwan to improve the accuracy of deformation predictions during the final excavation stage. These results serve as important references for engineers and contribute to the effective prediction and management of excavation behavior in civil engineering projects.

Our aim is to provide an insight of the procedures and the dynamics that lead the spread of contagious diseases through populations. Our simulation tool can increase our understanding on the spatial parameters which affect the diffusion of a virus. SIR models are based on the hypothesis that populations are “well mixed”. Our model constitutes an attempt to focus on the effects of the specific distribution of the initially infected individuals through the population and provide insights, considering the stochasticity of the transmission process. For this purpose, we represent the population using a square lattice of nodes. Each node represents an individual that may or may not carry the virus. Nodes that carry the virus can only transfer it to susceptible neighboring nodes. This important revision of the common SIR model provides a very realistic property: the same number of initially infected individuals can lead to multiple paths, depending on their initial distribution in the lattice. This property creates better predictions and probable scenarios to construct a probability function and appropriate confidence intervals. Finally, this structure permits realistic visualizations of the results to understand the procedure of contagion and spread of a disease and the effects of any measures applied.

Creep is a fundamental property naturally exists in some types of rock, which is significant for the long-term stability of roadways during the mining process. In this paper, the long-term strength of coal and rock were obtained via laboratory experiments, and a Cvisc elasto-viscoplastic model was adopted and introduced in FLAC3D, based on the 3101 transport roadway in Hongqinghe Coal Mine, to investigate the influence of creep on the stability of deep-high stress roadway. The test results show that the long-term strength of 3-1 coal and sandy mudstone, respectively, is 18.65 MPa, 39.95 MPa. The plastic zone, the deformation, and the damage of roadway surrounding rock behave an obvious increase after being excavated for 720d as the creep model was chosen. The plastic zone failure with models shear-p (1090.7 m3), shear-n (381.7 m3), tension-n (98.4 m3), and tension-p (30.8 m3), the damage value has an obvious increment of increased 21.2% (0.053), the deformation increases in the order is two-sidewalls (1978 mm), roof (907 mm), floor (101 mm). The creep of the roadway can be divided into three stages: the accelerating stage, the decaying stage, and the stable stage. The creep speed of each stage is greatly affected by the presence or absence of anchor spray support: the creep speed of the bare roadway roof, roadway side, and floor stability, respectively, is 1.01, 1.02, and 0.12 mm/d; After anchor spray support, the creep velocity, correspondingly, decreased to 0.69, 0.37, and 0.12 mm/d, and the amount of surrounding rock damage decreased from 0.302 to 0.243. This indicates that the anchor spray support can significantly reduce the creep effect of the roadway. The Cvisc creep model was verified reliable and can provide guidance for deep high-stress coal roadway support.

Microgrid is one of the important ways to accommodate distributed PV generation. However, the optimal planning scheme of microgrids is closely related to solar resources, load characteristics, and the key components of microgrid systems. This paper uses HOMER software to conduct collaborative planning for grid-connected PV-storage microgrids with electric vehicles in multiple scenarios. Specifically, we construct a multi-scenario capacity optimization model for PV generation, energy storage, and converters, considering both the cleanliness and economic performance of microgrids. The performance is quantified using indices such as net present cost, levelized cost of electricity, and carbon dioxide emission under multiple scenarios. Finally, we conduct extensive case studies on a business park in Wuhan, China, to compare and discuss the planning performance under multiple scenarios, as well as sensitivity analysis with specific cases.

Abstract: An attractive application of crude glycerol is in the generation of biomethane by means of anaerobic co-digestion, involving the decomposition of the organic matter in two or more substrates by bacteria and archaea, in the absence of oxygen. Thus, the objective of this work was to evaluate the potential of neural networks and fuzzy logic to predict the production of biomethane from the anaerobic co-digestion of glycerol and/or sugarcane molasses. Firstly, a reactor model was implemented using Scilab, with Monod kinetics involving two substrates and an intermediate (M2SI model), to generate a database for subsequent fitting and evaluation of neural and fuzzy models. The neural network package of Matlab was used. Fuzzy modeling was applied using the Takagi-Sugeno approach available in the ANFIS package of Matlab. The biomethane production results simulated by M2SI were used in neural network modeling, firstly employing a “generic” network applicable to all 8 scenarios. A very good fit was obtained (R²>0.99). Excellent performance was also observed for specific artificial neural networks (one for each condition). The parameters of the M2SI model for the 8 different conditions were also mapped using a neural network, as a function of the organic material composition. A fit with R²>0.99 was obtained using 25 neurons. In the case of the fuzzy logic, RMSE of 18.88 mL of methane was obtained with 216 rules, which was a value lower than 0.5% of the order of magnitude of the accumulated methane. It could be concluded from the results that fuzzy logic and artificial neural networks offer excellent ability to predict methane production, as well as to parameterize the M2SI kinetic model (using neural networks).

The stability of the filling roof as an important bearing unit in the stope of the access stope in the filling mining method is of great significance to guarantee the safe and efficient production of the mine. Arrangement of mining approach in downward cemented filling stope is the key factor af-fecting stability of filling body roof. Based on combination of laboratory test, theoretical analysis and numerical simulation, the influence of different mining approach arrangement on stability of filling body roof is analyzed. The weak filling surface is formed between adjacent mining paths. The mechanical strength of the weak filling surface is significantly reduced by laboratory experiments. The relationship between distribution of the weak filling surface, azimuth angle and stability of filling roof is further studied by numerical simulation. The results show that the stability of the filler roof is the best when the upper and lower stratified mining approach is arranged vertically.

In order to study the effect of TiB2 particles on the mechanical properties of TiB2/6061Al composites, a series of TiB2/6061Al 3D representative volume element (RVE) were established based on SEM photos. This model took into account the ductile damage of the matrix and the traction separation behavior of the interface, and the linear damage evolution law was introduced to characterize the stiffness degradation behavior of the matrix elements. The mixed boundary conditions were used for RVE tensile experiments, and the accuracy of the predicted result was verified by the agreement of the experimental stress-strain curve. Results show that the addition of TiB2 particles can effectively promote the load-bearing capacity of the composite, but elongation is reduced. With the weight fraction of TiB2 increasing from 2.5% to 12.5%, the elastic modulus, yield strength, and tensile strength are increased by 8%, 10.37%, and 11.55% respectively, while the elongation decreased by 10%. The clustering rate of the TiB2 particles is also an important factor affecting the toughness of the composites. With the increase in the clustering rate of TiB2 particles from 20% to 80%, the load-bearing capacity of the composites is not improved, and the elongation of the composites is reduced by 8%. Moreover, the high strain region provides a fast expansion path for crack propagation and the particle spacing is a crucial factor that affects the stress field.

The current work investigates the auxetic tensile deformation behavior of the inversehoneycomb structure with 5 × 5 cells made of biodegradable poly(butylene adipate-coterephthalate) (PBAT). Fused deposition modeling, an additive manufacturing method, produced such specimens. Residual stress (RS) and warpage, more or less, always exist in such specimens due to layer-by-layer fabrication, i.e., repeated heating and cooling. The RS influences the auxetic deformation behavior, but its measurement is challenging due to the very fine structure. Instead, the finite-element(FE)-based process simulation realized by an ABAQUS plug-in numerically predicts the RS and warpage. The predicted warpage shows a negligible slight deviation compared to the design topology. This process simulation also delivers the temperature evolution of a small volume material, revealing the local cyclic heating and cooling. The achieved RS serves as the initial condition for the FE model used to investigate the auxetic tensile behavior. With the outcomes from FE calculation without considering RS at hand, the effect of the RS on the deformation behavior is discussed for the global force-displacement curve, the structural Poisson’s ratio evolution, the deformed structural status, the stress distribution, and evolution, where the first three and the warpage are also compared with experimental results. Furthermore, the FE simulation can easily provide the global stress-strain flow curve with the total stress calculated from the elemental ones.

Flood events are becoming more severe, causing significant problems to human communities, including physical, psychological, and material damage. For both flood forecasting in emergency response situations and flood mapping, georeferencing and data curation are paramount in the context of prevention or preparedness. Hence, data display, data management, and articulation with numerical simulation results must occur on GIS platforms. Our research is motivated by recent advances in Web and GIS technologies, social sensing and high-performance computing, and an envisaged wider availability of remote sensing data. This paper presents and discusses an innovative Web GIS platform named "RiverCure Portal" or "RCP" for short. This platform combines observations and hydrodynamic modelling tools to support various stages of the flood risk management cycle, including operational response, emergency preparedness, and risk assessment. RCP is a multi-organisation, multi-context digital platform with flexible configuration features to define and support multiple sensor types and modelling options, satisfying the various needs of different organisations and stakeholders. In addition, this paper discusses the RiverCure Approach, which encompasses the following tasks directly supported by the RCP platform: defining the context and involved geometries, associating sensors to the context, pre-processing and generating the context mesh, defining the simulation event, running the simulation event, and analysing the results from the simulation event. Thus, the RCP streamlines and simplifies data analysis and simulation procedures to meet decision-makers' needs. The novelties discussed in this paper include the design and discussion of a Web GIS platform that allows (i) to manage flood data and results of simulations at several contextual levels by different stakeholders such as domain experts, decision-makers, researchers, or students; (ii) to process and curate sensed data obtained from physical and social sensors; and (iii) update the state and values of the parameters of simulation tools through continuous data assimilation techniques for forecasting purposes. Finally, this paper supports the explanation and discussion with a running example, "Águeda 2016 flood" event, which dataset is publicly available for further study and experimentation.

The problem of optimal scheduling in a system with parallel queues and a single server has been extensively studied in the queueing theory. However, such systems have mostly been studied by assuming homogeneous attributes of arrival and service processes, or in heterogeneous case a Markov random process was usually assumed. In this paper, we explore the possibility of combining simulation and neural network paradigms for optimal scheduling in a heterogeneous system with an arbitrary inter-arrival and service time distributions. The service of any queue by the server is exhaustive. Further routing of the server after the queue has been emptied is as instructed by the trained neural network. Any change in the queue that currently has a server is accompanied by a switching cost. The simulated annealing optimization algorithm which is used to optimize the parameters of the neural network was adapted for numerically evaluated average cost function. A Markov decision problem was formulated for the corresponding markovian queueing system to verify the results of solving the optimization problem. In addition to comparing the actual values of the average cost, the parameter values of the neural network trained on the optimal control policy of the Markov model are also used to determine the domains of parameters required for the simulated annealing defined on a finite discrete domain. Numerical analysis shows the effectiveness of this approach. Moreover, a comparison of the results for different distributions illustrates the insensitivity of the optimal control policy to the shape of the distributions for the same two first moments. Thus, the optimal control policy for an exponential model can be used as a suboptimal one for the general system.

Abstract: The purpose of this study is to explore, from the perspective of government interven-tion, behavioral logic and game relationship among farmers, service organizations and the gov-ernment in the pest and disease control outsourcing system, as well as the endogenous motiva-tion of each subject. The results indicate that the stronger the willingness of each subject, the faster the stable state of joint pest and disease control among the three parties can be formed; In the case of implementing a single policy tool, the convergence rate of each party that imple-ments the regulatory policy alone is fast but may be unstable, while the rate is slow but more stable when a guidance- or incentive-based policy is solely applied; The effect of policy tool combination is much better than that of a single policy tool applied. The simultaneous imple-mentation of the three types of policy tools can form a policy system with both positive and negative mechanisms, which can maximize complementary and superposition effect.

In this paper, we present the investigation results of radiation-induced effects in metal-oxide-semiconductor (MOS) doped with moderate amounts of Zinc Oxide (ZnO) as a potential candidate for space-borne application. The samples were fabricated via the sputtering method at a working pressure of 3mTorr and a deposition temperature of 300oC. The ZnO samples were exposed to 1.25-MeV gamma-ray utilizing Co60 source, and their electronic response was measured at ionizing doses ranging from 10 kGy to 300 kGy. A comparative work was performed through finite element method to simulate the electronic response of the PN junction diode due to ionizing radiation. The results indicate that the ideality factor of the MOS diode increases as the ionizing dose increases, rendering it unsuitable for use as a diode. The degradation of the electrical parameters was also simulated, showing the increase in hole concentration. These findings suggest that the ejection of electrons occurred, which agrees with the gamma radiation effects trend. Furthermore, as the intensity of radiation increases, the spatial charge that arises from the separation of hole-electron pairs results in a substantial reduction of the electric field in the central portion of the n-type region. These findings provide insights into the degradation of electrical parameters in MOS devices under gamma radiation and have implications for their use in space-borne applications.

With the aim to improve cladding coating quality and prevent cracking, this paper established an extreme high-speed laser cladding thermo-mechanical coupling simulation model to study the evolution of the temperature field and residual stress distribution. Process parameters that impacted the macroscopic morphology of single-pass coatings were investigated. Numerical calculations and temperature field simulations were performed based on the process parameter data to validate the effect of the temperature gradient and cooling rate on the coating structure and the residual stress distribution. The results showed that a good coating quality could be achieved using a laser power of 2400 W, a cladding rate of 20 m/min, and a powder feeding rate of 20.32 g/min. The coatings’ cross-sectional morphology corresponded well with the temperature distribution predicted by numerical modeling of the melt pool. The microstructure of the molten coatings is affected by the temperature gradient and cooling rate, which vary greatly from the bottom to the middle to the top. Maximum residual stress appears between the bonding region of the coatings and the substrate, and the coatings themselves have significant residual stress in the form of tensile strains that are mostly distributed in the direction of the laser cladding speed.

Different inlet structures have a significant impact on the internal flow characteristics of a solid-magnesium powder water ramjet engine. Based on the magnesium-water reaction model, a computational fluid dynamics (CFD) method is applied to establish a numerical simulation method for the internal flow field of the engine, and the internal flow characteristics of the engine under different inlet structure conditions are studied. The simulation results show that high-temperature gas can effectively promote the ignition of magnesium powder at the top of the combustion chamber, while accelerating the evaporation of the first inlet water and increasing the combustion rate of magnesium powder. The secondary inlet has the most significant effect on the temperature inside the combustion chamber. When the secondary inlet flow rate increases towards the top of the combustion chamber, it increases the amount of heat absorbed by the evaporating water at the top of the chamber, thereby reducing the temperature at the top of the combustion chamber. However, when the flow rate is low, it results in insufficient oxidizer at the top of the combustion chamber, which is unfavorable for the combustion of magnesium powder.

The concerning rise in emergence and prevalence of resistant strains to drugs of M. tuberculosis has ,the prompted researchers to look for new and effective treatments. With this motive, biscoumarins were identified as the lead molecules on a whole-cell-based screening of several less explored low molecular weight bioactive compounds against M. tuberculosis strains. Among the screened biscoumarins, the highest dock score derivatives were synthesized (a-h) using a programmable microwave synthesizer for better yields and reaction control. The synthesized derivatives were evaluated against H37Rv, H37Ra, M. smegmatis, an MDR surrogate model, and other bacterial strains for the structure-activity response. Assessment of the synthesized library against mycobacterial strains led to the identification of compounds (f and d) as lead anti-tuberculosis agents. Compounds (f and d) exhibited less toxicity against human cell lines. At the same time, it displayed enjoyable activity wherein MIC concentrations were observed to be 16- and 32 µg/mL against the susceptible H37Rv, and H37Ra strains of M. tuberculosis and MIC value of 128 µg/mL for M. smegmatis, respectively. For mechanistic insights and identification of drug binding targets, molecular docking and dynamic simulations were employed for a panel of 16 mycobacterial enzymes essential for mycobacterial growth and survival. These in silico studies revealed the DprE1 enzyme as a druggable target for the anti-tuberculosis activity of the selected biscoumarins derivatives. Further investigation is underway in our laboratory, leading to its development as an anti-tuberculosis drug (animal model studies).

The monkeypox virus (MPXV) has become a major threat due to the increasing global caseload and the ongoing multi-country outbreak in non-endemic territories. Due to limited research in this avenue and the lack of intervention strategies, the present study was aimed to virtually screen bioactive phytochemicals against envelope proteins of MPXV via rigorous computational approaches. Molecular docking and molecular dynamic (MD) simulations were used to investigate the binding affinity of 12 phytochemicals against three envelope proteins of MPXV, viz., D13, A26, and H3. Silibinin, oleanolic acid, and ursolic acid were computationally identified as potential phytochemicals that showed strong binding affinity towards all the tested structural proteins of MPXV through molecular docking. The stability of the docked complexes was also confirmed by MD simulations. ADME analysis also computationally confirmed the drug-like properties of the phytochemicals, thereby asserting their suitability for consumption. Hence, this study envisions the candidature of bioactive phytochemicals as promising inhibitors against the MPXV, serving as template molecules that could further be experimentally evaluated for their efficacy against monkeypox.

This paper presents a novel theoretical and computational methodology for the generation of an onset turbulent field with prescribed properties in the numerical simulation of an arbitrary viscous flow. The methodology is based on the definition of a suitable distribution of volume force terms in the right–hand side of the Navier–Stokes equations. The distribution is represented by harmonic functions that are randomly variable in time and space. The intensity of the distribution is controlled by a simple PID strategy in order to obtain that the generated turbulent flow matches a prescribed turbulence intensity. A further condition is that a homogeneous isotropic flow is es- tablished downstream of the region where volume force terms are imposed. Although it is general, the proposed methodology is primarily intended for the computational modelling of hydrokinetic turbines in turbulent flows representative of tidal or riverine installations. A first numerical applica- tion is presented by considering the injection of homogeneous and isotropic turbulence with 16% intensity into a uniform unbounded flow. The analysis of statistical properties as auto-correlation, power spectral density, probability density functions, demonstrates that the generated flow tends to achieve satisfactory levels of stationarity and isotropy, whereas the simple control strategy used determines overestimated turbulent intensity levels.

Zika virus (ZIKV) has been characterized as one of the potential pathogens and placed under future epidemic outbreaks by the WHO. However, lack of potential therapeutics can result in uncontrolled pandemic like other human pandemic viruses; therefore, prioritized effective therapeutics development has been recommended against ZIKV. In this context, the present study adopted the strategy to explore the lead compounds from Azadirachta indica against ZIKV via concurrent inhibition of the ZIKVpro and ZIKVRdRp proteins using molecular simulations. Initially, structure-based virtual screening of 44 bioflavonoids reported in Azadirachta indica against the crystal structures of targeted ZIKV proteins resulted in the identification of top four common bioflavonoids, viz. rutin, nicotiflorin, isoquercitrin, and hyperoside. These compounds showed substantial docking energy (-7.9 to -11.01 kcal/mol) and intermolecular interactions with essential residues of ZIKVpro (His51, Asp74, and Ser135) and ZIKVRdRp (Asp540, Ile799, and Asp665) by comparison to the reference compounds, O7N inhibitor (ZIKVpro) and Sofosbuvir inhibitor (ZIKVRdRp). Long interval molecular dynamics simulation (500 ns) on the selected docked poses reveals the stability of respective docked complexes contributed by intermolecular hydrogen bonds and hydrophobic interactions. The predicted complex stability was further supported by calculated end-point binding free energy using molecular mechanics generalized born surface area (MM/GBSA) method. Consequently, the identified common bioflavonoids are recommended as promising therapeutic inhibitors of ZIKVpro and ZIKVRdRp for further experimental assessment.

Due to production space and operating environment requirements, mine production equipment often breaks down, which seriously affects the mine’s production schedule. To ensure the smooth completion of the haulage operation plan under abnormal conditions, a model of the haulage equipment rescheduling plan based on the random simulation of equipment breakdowns is established in this paper. The model aims to accomplish both the maximum completion rate of the original mining plan and the minimum fluctuation of the ore grade during the rescheduling period. This model is optimized by improving the wolf colony algorithm and changing the location update formula of the individuals in the wolf colony. Then, the optimal model solution can be used to optimize the rescheduling of the haulage plan by considering equipment breakdowns. The application of the proposed method in an underground mine revealed that the completion rate of the mine’s daily mining plan reached 83.40% without increasing the number of the equipment, while and the ore quality was stable. Moreover, the improved optimization algorithm converged fast and was characterized by high robustness.

A long-term forecast study on the electricity demand of Taoussa of Mali is conducted in this paper, with various scenarios of socioeconomic and technological conditions. The analysis tool, which is applied in scenarios simulation, is the Model for Analysis of Energy Demand from the International Atomic Energy Agency. The analysis results are annual electricity demand and peak load forecast for the electrification from the period 2020 to 2035. During the planning period, the analysis results show that the electricity demand will increase to 49.40 MW (332.57 GWh) for the low scenario (LS), 66.46 MW (472.61 GWh) for the reference scenario (RS), and 89.47 MW (635 GWh) for the high scenario (HS). In addition, the total electricity demand increased at an average rate of 8.13% in the LS, 10.31% in the RS and 12.56% in the HS in all sectors. The electricity peak demand is expected to grow at 7.92%, 10.53% and 12.91% corresponding to the three scenarios; in this case, the system peak demand in 2035 will increase to 64.88 MW for the LS, 92.2 MW for the RS and 126.22 MW, the days of peak load are between 17th -23rd in May. The Industry sector will be the biggest electricity consumer of Taoussa area.

Volcanism powered by tidal forces inside celestial bodies can provide enough energy to keep important solvents for living systems in the liquid phase. Moreover, tidal forces and their environmental consequences may strongly influence habitability of planets and other celestial bodies and may result in special forms of live and living conditions. A prerequisite to calculate such tidal interactions and consequences is depending on simulations for tidal accelerations in a multi-body system. Unfortunately, from measurements in many extrasolar planetary systems only few physical and orbital parameters are well enough known for investigated celestial bodies. For calculating tidal acceleration vectors under missing most orbital parameter exactly, a simulation method is developed that is only based on a few basic parameters, easily measurable even in extrasolar planetary systems. Such a method as being presented here, allows finding a relation between the tidal acceleration vectors and potential heating inside celestial objects. Using values and results of our model approach to our solar system as a “gold standard” for feasibility allowed us to classify this heating in relation to different forms of volcanism. This “gold standard” approach gave us a classification measure for the relevance of tidal heating in other extrasolar systems with a reduced availability of exact physical parameters. We would help to estimate conditions for the identification of potential candidates for further sophisticated investigations by more complex established methods like viscoelastic multi-body theories. As a first example, we applied the procedures developed here to the extrasolar planetary system TRAPPIST-1 as an example to check our working hypothesis.

Outcomes of repeated decision--making processes may be affected by adversarial actors, without being noticed. Adversaries may try to gain knowledge about a particular decision--making process, identify its decision--makers, and guess which underlying decision support model is used. Then they can simulate the process, and craft different scenarios to affect its decision outcomes. Therefore, designers of decision support systems need to incorporate this in the decision modeling phase. The purpose of this study is to demonstrate this for the repeated decision--making in a patent application process. In this process, two sequential decision outcomes can be affected by adversarial actors: a company's decision to which type of patent office to send a patent request to, and the decision of a specialized patent officer to grant an application, or not. It is motivated that the company's decision--maker is \emph{bounded} rational. A theory for information--theoretic bounded rational decision--making under uncertainty proposed by Ortega et al.\ is adopted to model this type of decision--maker. A framework is provided to simulate a number of scenarios that adversaries may deploy to affect decision outcomes of a repeated patent application decision--making process. The framework is also utilized for statistically testing the presence of the scenarios, and to demonstrate how to discourage adversaries from deploying them.

Cathepsin D (CatD; EC 3.4.23.5) family peptidases of parasitic organisms are regarded as potential drug targets as they play critical roles in the physiology and pathobiology of parasites. Previously, we characterized the biochemical features of cathepsin D isozyme 2 (CatD2) in the carcinogenic liver fluke Clonorchis sinensis (CsCatD2). In this study, we performed all-atomic molecular dynamics simulations by applying different systems for the ligand-free/bound forms under neutral and acidic conditions to investigate the pH-dependent structural alterations and associated functional changes in CsCatD2. CsCatD2 showed several distinctive characteristics as follows: 1) CsCatD2-inhibitor complex formed more hydrogen bonds; 2) acidic pH caused major conformational transitions from open to closed state in this enzyme; 3) neutral pH induced displacement of the N-terminal part to hinder the accessibility of the active site and open allosteric site of this enzyme; and 4) the flap dynamics metrics, including distance (d1), TriCα angles (θ1 and θ2), and dihedral angle (ϕ), account for the asymmetrical twisting motion of the active site of this enzyme. These findings provide an in-depth understanding of the pH-dependent structural dynamics of CsCatD2 and basic information for the rational design of an inhibitor as a drug targeting CsCatD2.

Electrochemical-mechanical interactions, in particular pressure-induced ones, have been identified to be a cause for lithium-plating in lithium-ion cells. Mechanically-induced porosity inhomogeneities in the separator layers due to electrode expansion during charging especially lead to cell internal balancing currents and can cause localized plating. To identify cell-format and cell-material dependent mechanical weak spots, a layer-resolved mechanical simulation of different cell types and cell-material combinations is presented in this work. The simulation results show distinctive layer strain patterns for different cell-types that coincide with localized lithium-plating found in post-mortem cells. Additionally, the effects of cell bracing in battery modules is investigated and a method to mitigate the increased layer strain due to bracing counterforces is proposed that also increases cell energy density for hardcase-type automotive cells.

The calculation of echo intensity involved in the SAR image simulation is usually based on the electromagnetic formula or approximate formula derived under certain assumptions. However, the parameters used in these formulas are often difficult to obtain, and the formulas have errors with the actual situation. In this paper, a method of embedding deep neural network (DNN) into the simulation process based on ray tracing is proposed, so that the DNN model can be directly used to fit the calculation formula of echo intensity from real SAR images. Simulation results show that this method can obtain SAR images with high similarity.

Large office buildings are responsible for a substantial portion of energy consumption in urban districts. However, thorough assessments regarding the Nordic countries are still lacking. In this paper we analyse the largest dataset to date for a Nordic office building, by considering a case study located in Stockholm, Sweden, that is occupied by nearly a thousand employees.Distinguishing the lighting and occupants’ appliances energy use from heating and cooling, we can estimate the impact of occupancy without any schedule data. A standard frequentist analysis is compared with Bayesian inference, and the according regression formulas are listed in tables that are easy to implement into building performance simulations (BPS). Monthly as well as seasonal correlations are addressed, showing the critical importance of occupancy.A simple method, grounded on the power drain measurements aimed at generating boundary conditions for the BPS, is also introduced; it shows how, for this type of data and number of occupants, no more complexities are needed in order to obtain reliable predictions. For an average year, we overestimate the measured cumulative consumption by only 4.7%. The model can be easily generalised to a variety of datasets.

Vertical-channel organic dual-gate/base transistors would be highly interesting since vertical organic transistors are the fastest organic transistors demonstrated today. However, incorporating a dual gate/base structure into an ultra-short channel vertical architecture represents a substantial challenge. Here, we successfully realize a new device concept of vertical organic permeable dual-base transistors (OPDBTs), where either of both base electrodes can be used to change the on-currents and tune the threshold voltages. The optimized devices yield a high on-current density of 1.54 A cm^-2 and a large current gain of 9.2×10⁵, corresponding to a high transmission value of 99.998%. The detailed operation mechanisms are investigated by calibrated TCAD simulations with the Poole-Frenkel mobility model, Gaussian density of states and tunneling model. Finally, high-performance logic circuits, e.g. inverter, NAND/AND computation functions are demonstrated with one single OPDBT operating at supply voltages of < 2.0 V. We believe that OPDBTs offer a compact and technologically simple hardware platform with excellent application potential for vertical-channel organic transistors in complex logic circuits.

Considering the need to reduce greenhouse gas emissions, onshore wind energy is certain to play a major role in future energy systems. This topic has received significant attention from the research community, producing many estimations of Europe's onshore wind potential for capacity and generation. Despite this focus, previous estimates have relied on distribution assumptions and simulation schemes that summarily under predict both the amount of available future wind capacity as well as its performance. Foremost in this regard is the common use of contemporary, or at least near-future, turbine designs which are not fitting for a far-future context. To fulfill this role, an improved, transparent, and fully reproducible work flow is presented for determining European onshore wind potential. Within a scenario of turbine cost and design in 2050, 13.5 TWof capacity is found to be available, allowing for 34.4 PWh of generation. By sorting the explicitly-placed potential generation locations by their expected generation cost, national relations between turbine cost and performance versus a desired capacity are exposed. In this way, it is shown that all countries possess some potential for onshore wind energy generation below 4 €_ct kWh^-1. and, furthermore, that it is unlikely for these costs to exceed 6 €_ct kWh^-1.

In this work we present the results obtained with an artificial neural network (ANN) which we trained to predict the expected output of high-order harmonic generation (HHG) process, while exploring a multi-dimensional parameter space. We argue on the utility and efficiency of the ANN model and demonstrate its ability to predict the outcome of HHG simulations. In this case study we present the results for a loose focusing HHG beamline, where the changing parameters are: the laser pulse energy, gas pressure, gas cell position relative to focus and gas cell length. The physical quantity which we predict here using ANN is directly related to the total harmonic yield in a specified spectral domain (20-40 eV). We discuss the versatility and adaptability of the presented method.

This work analyzes the severity and risk associated with Automatic Dependent Surveillance-Broadcast (ADS-B) message drop out in Detect and Avoid (DAA) function of Unmanned Aircraft System (UAS). Performance assessment of the Universal Access Transceiver (UAT) ADS-B message implies that in some cases ADS-B fails to update within a specified update interval, which is referred to as drop out in this work. ADS-B is a fundamental surveillance sensor for both class 1 and class 2 DAA systems. Message loss or drop out has been found as one of the common limitations of the ADS-B system. The key feature of this study is incorporating the update rate of real ADS-B data transmitted from the manned aircraft. The data were received from the Grand Forks International Airport, North Dakota. Monte Carlo method has been adopted to resolve encounter scenarios in the presence of drop out. The change in the alert triggered by the UAS DAA in the presence of ADS-B drop out has been investigated. Furthermore, the risk matrices are created to quantify the associated risk with drop out affected alerts. Simulation results depict that both the duration of drop out and DAA look-ahead time affect the alert-triggering function of UAS. With a small look- ahead window and longer duration of drop out, the number of warning alerts increases. Also, alerts are affected more during an overtaking encounter than that of a head-to-head encounter. A system-level analysis is also carried out to recognize the potential reasons behind the ADS-B drop out.

Subsurface temperature is the key parameter in geothermal exploration. An accurate estimation of the reservoir temperature is of high importance and usually done either by interpolation of borehole temperature measurement data or numerical modeling. However, temperature measurements at depths which are of interest for deep geothermal applications (usually deeper than 2 km) are generally sparse. A pure interpolation of such sparse data always involves large uncertainties and usually neglects knowledge of the 3D reservoir geometry or the rock and reservoir properties governing the heat transport. Classical numerical modeling approaches at regional scale usually only include conductive heat transport and do not reflect thermal anomalies along faults created by convective transport. These thermal anomalies however are usually the target of geothermal exploitation. Kriging with trend does allow including secondary data to improve the interpolation of the primary one. Using this approach temperature measurements of depths larger than 1,000 m of the federal state of Hessen/Germany have been interpolated in 3D. A 3D numerical conductive temperature model was used as secondary information. This way the interpolation result reflects thermal anomalies detected by direct temperature measurements as well as the geological structure. This results in a considerable quality increase of the subsurface temperature estimation.

An important aspect of PET imaging in clinical application is the localization and detection of tumors and lesions by administering a predetermined amount of radiotracer. This allows for example, a detailed view of what is going inside the patient body in cellular level. The quality of PET image is strongly dependent on the amount of administrated radiotracer and the patient’s body parameters. As the amount of injection radiotracer increases, the quality of resulting image increases and the lesion detection efficiency increases. The PET examiner society recognizes that any dose of radiotracer is associated with some possible radiation risks. It can harmful to the patient if essential PET imaging session is not made due to fear of radiation risk. In order to ensure the highest quality diagnosis and the smallest radiation risk, the patient should receive the smallest amount of radiotracer that provide image with sufficient quality. Our study is focused on proposing an efficient PET simulation tool that predict the smallest possible amount of administrated radiotracer to provides the appropriate diagnostic information based on significant patient’s body parameters (weight, age) at fixed scanning to improve the clinical diagnostic process in term of tumor detecting and localization. We have built a model of particular PET scanner and model of patient based on real MRI image and digital anthropomorphic phantom of our region of interest (brain). We have performed Monte Carlo simulation for whole PET procedure with special parameter In evaluating stage, a dataset of 60 patient is used and 11 independent dose prediction simulation for each patient are performed. We conclude that our simulator perform a desirable and efficient prediction of injection radiotracer amount that optimizes the current clinical amount up to 28%. In addition, we found that the total injected radiotracer dosage for adult patients are mostly affected when considering patient weight rather than patient age.

Generator automatic voltage control device (AVC) is an automatic voltage and reactive power optimization control terminal on the power plant side. Aiming at improving the performance of generator automatic voltage control device, this paper introduces a detection method of AVC substation performance based on virtual dispatching terminal environment. During the testing, the upper computer of redundant power plant is connected to the virtual dispatching terminal environment to simulate the sending instructions of AVC master station, the behavior of AVC sub stations and the excitation system of generators. The performance of AVC substation is evaluated according to the feedback adjustment results, which can effectively detect the abnormal behavior of AVC substation in power plant.

In this study, regression analyses were used to find a relationship between the rain gauge rainfall rate R and radar reflectivity Z for the urban catchment of the Służewiecki Stream in Warsaw, Poland. Rainfall totals for 18 events which were measured at two rainfall stations were used for these analyses. Various methods for determining calculational values of radar reflectivity in reference to specific rainfall cells with 1-km resolution within an event duration were applied. The influence of each of these methods on the Z-R relationship was analyzed. The correction coefficient for data from the SRI (Surface Rainfall Intensity) product was established, in which the values of rainfall rate are calculated based on parameters a and b determined by Marshall and Palmer. Relatively good agreement between measured and estimated rainfall totals for the analyzed events was obtained using the Z-R relationships as well as the correction coefficient determined in this study. Rainfall depths estimated from radar data for two selected events were used to simulate flow hydrographs in the catchment using the SWMM (Storm Water Management Model) hydrodynamic model. Different scenarios were applied to investigate the stream response to changes in rainfall depths, in which the data both for 2 existing as well as 64 virtual rain gauges assigned to appropriate rainfall cells in the catchment were included.

One of the principal hallmarks of Alzheimer’s disease (AD) is related to the aggregation of amyloid-β fibrils in an insoluble form in the brain, also known as amyloidosis. Therefore, a prominent therapeutic strategy against AD consists either in blocking the amyloid aggregation and/or destroying the already formed aggregates. Natural products have shown significant therapeutic potential as amyloid inhibitors from in vitro studies as well as in vivo animal tests. In this study, the interaction of five natural biophenols (curcumin, dopamine, (-)-Epigallocatechin-3-gallate, Quercetin, and Rosmarinic acid) with the amyloid-β(1-40) fibrils has been studied through computational simulations. The results allowed the identification and characterization of the different binding modalities of each compounds and their consequences on fibril dynamics and aggregation. It emerges that the lateral aggregation of the fibrils is strongly influenced by the intercalation of the ligands, which modulate the double-layered structure stability.

The United Arab Emirates (UAE) is significantly dependent on desalinated water and groundwater resource, which is expensive and highly energy intensive. Despite the scarce water resource, only 54% of the recycled water was reused in 2015. In this study, an “Oasis” complex comprised of Sustainable Farming Compartments (SFCs) was proposed for reusing treated wastewater to decrease the ambient temperature of the SFC via an evaporative cooling system. A prototype SFC with half the original scale (width = 1.8 m, depth = 1.5 m, front height = 1.2 m back height = 0.9 m) was designed, built, and tested in an environmentally controlled laboratory and field site to evaluate the feasibility and effectiveness of the SFC under the climatic conditions in Abu Dhabi. Based on the experimental results, the temperature drops obtained from the SFC in the laboratory and field site were 5 ̊C at initial relative humidity of 60% and 7- 15 ̊C at initial relative humidity of 50%, respectively. An energy simulation using dynamic numerical simulations was performed in comparison to the results of the experiment. The energy-based dynamic simulation shows good agreement with the experimental results. The total power consumption of the SFC system was approximately three and a half times lower than that of an electrical air conditioner.

Nuclear export of viral mRNAs, is an essential step in the HIV replication cycle. This role is played by a small regulatory protein of HIV-1 called Rev.The N-terminal region of Rev contains an arginine-rich sequence. The arginine-rich motif (ARM) is located between amino acids 38-50 and forms an alpha-helical secondary structure. Expression of the structural proteins of human immunodeficiency virus type 1 requires the direct interaction of multiple copies of the viral Rev protein with its highly structured RNA target sequence, the Rev Response element (RRE). The major viral proteins are not produced if this transport of RNA is stopped. Therefore, knowledge of Rev structure is essential for understanding of its cooperative binding to the RRE, for understanding the mechanism of HIV infection and for the development of antiviral drugs that interfere with Rev’s essential functions and for acknowledgment of good candidate drugs for treatment of AIDS. To understand how REV interact with RRE element of HIV-RNA and its formation of oligomeric complex it is better to characterize the domain wise structure of REV with regard in function of each domain. Due to lack of structural data on Rev no single compound is reported as inhibitor of REV expect antiviral drugs. Identification of a high-affinity RNA-binding site for the human immunodeficiency virus type 1 Rev Protein is much more important. The ARM is a highly specific sequence which allows for the multimerization of Rev and also binding of REV with RNA. Here we are first time exploring the structural characteristics of REV protein both in free form and in complex with RNA at domain function level especially explore the role of ARM motif in REV HIV-1 protein as RNA binding sites by molecular dynamics (MD) simulation and homology modeling studies. Results indicate that the arginine-rich motif (ARM) is crucial in stability of this complex. The residues ARG38, 39, 41, 43, 44, 48, 50, and ASN40 are most interacting with nucleobases of RRE in Crystal structure of Rev and Rev-response-element RNA complex. Our study plays a major role in elaboration of binding of RNA with REV and pave the way for further investigation for therapeutically agent for HIV.

Human factors are the most relevant issues contributing to adverse events in obstetrics. Specific training of Crisis Resource Management (CRM) skills (i.e., problem solving and team management, resource allocation, awareness of environment, and dynamic decision-making) are now widespread and are often based on High Fidelity Simulation. In order to be used as a guideline in simulated scenarios, they need to be translated into specific and observable behavioral markers. To this purpose, we developed a set of observable behaviors related to the main elements of CRM in the delivery room. The observational tool was then adopted in a two-days seminar on obstetric hemorrhage where teams working in obstetric wards of six Italian hospitals took part to simulations. The tool was used as guide for the Io and as a peer-to-peer feedback. It was then rated for its usefulness in facilitating the reflection upon one’s own behavior, its ease of use, and its usefulness for the peer-to-peer feedback. The ratings were highly positive, around 4 in a 5-point scale. The CRM observational tool is therefore a useful, quick and easy solution to facilitate the debriefing, the peer-to-peer feedback and, most of all, the transfer of safe behavior from simulation to everyday practice.

Fiber-metal laminates (FMLs) such as Kevlar reinforced aluminum laminate (ARALL), Carbon reinforced aluminum laminate (CARALL), and Glass reinforced aluminum laminate (GLARE) offer great potential for weight reduction applications in automobile and aerospace construction. In order to investigate the feasibility for utilizing such materials in the form of laminates, sheet hydro-bulging tests are studied under the condition of uniform blank holder force for three-layered aluminum and aluminum-composite laminates using orthogonal carbon and Kevlar as well as glass fiber in the middle. The experimental results validate the finite element results and they exhibited that the forming limit of glass fiber in the middle is the highest among the studied materials, while carbon fiber material performs the worst. Furthermore, the crack modes are different for the three kinds of fiber materials investigated in the research. This study provides fundamental guidance for the selection of multi-layer sheet materials in the future manufacturing field.

The future of machine tools will be dominated by highly flexible and interconnected systems, in order to achieve the required productivity, accuracy and reliability. Nowadays, distortion and vibration problems are easily solved in labs for the most common machining operations by using models based on equations describing the physical laws of the machining processes; however additional efforts are needed to overcome the gap between scientific research and the real manufacturing problems. In fact, there is an increasing interest in developing simulation packages based on “deep-knowledge and models” that aid machine designers, production engineers or machinists to get the best of the machine-tools. This article proposes a methodology to reduce problems in machining by means of a simulation utility, which uses the main variables of the system&process as input data, and generates results that help in the proper decision-making and machining planification. Direct benefits can be found in a) the fixture/clamping optimal design, b) the machine tool configuration, c) the definition of chatter-free optimum cutting conditions and d) the right programming of cutting toolpaths at the Computer Aided Manufacturing (CAM) stage. The information and knowledge-based approach showed successful results in several local manufacturing companies and are explained in the paper.

The next future using machine tools will be dominated by highly flexible and interconnected systems, in order to achieve the required productivity, accuracy and reliability. Nowadays, distortion and vibration problems are easily solved for the most common cases by sing models based on equations describing the physical laws dominating the machining process; however additional efforts are needed to overcome the gap between scientific research and the real manufacturing problems. In fact, there is an increasing interest in developing simulation packages based on “deep knowledge and models” that aid the machine designer, the production engineer, or machinists to get the best of their machines. This article proposes a systematic methodology to reduce problems in machining by means of a simulation utility, which recognizes, collects and uses the main variables of the system/process as input data, and generates objective results that help in the proper decision-making. Direct benefits by such an application are found in a) the fixture/clamping optimal design, b) the machine tool configuration, c) the definition of chatter free optimum cutting conditions and the right programming of cutting tool path at the Computer Aided Manufacturing (CAM) stage. The information and knowledge-based approach showed successful results in several local manufacturing companies.

As a long lifeline system of buried structures, Utility tunnel (UT) is vulnerable to earthquake invading. For utility tunnels with inverted siphon arrangement crossing the river, the seismic response is more complex due to the basin effect of acceleration in the topography and the influence of fluctuating hydrodynamic pressure. Based on a UT project in Haikou, this paper studied seismic response of cast-in-place UT considering the coupled model of water-soil-tunnel structure on ABAQUS software. Herein, the dynamic fluctuation of hydrodynamic pressure is simulated using acoustic-solid interaction model. A viscoelastic artificial boundary was used to simulate the soil boundary effect, and seismic loads were equivalent to nodal forces. Considering seismic invading direction and varying water elevation, the paper investigates the dynamic response characteristics and damage mechanisms of river-crossing utility tunnels. The study shows that basin effects cause the different acceleration amplifying of the soil around the UT in different sections, and the greater damage to the tunnels in bidirectional seismic excitation, which the damage concentrated at the junction of the transition between the horizontal section and the vertical section; Bending moments and axial forces are the dominant mechanical behaviors along the axial direction; and the river water level change influences the internal distribution of the tunnels, showing a certain amount of energy dissipation and seismic damping effects. For the aseismic design of cross-river cast-in-place utility tunnels, bidirectional seismic calculations should be performed, and the influence of river hydrodynamic pressure should not be neglected.

Hydrogen combustion in internal combustion engines is a strongly awaited technology on the way to carbon neutrality, but still with major challenges to takle. There are plenty of combustion anomalies like preignition, backfire, knock and lube oil ignition that come along with the technology, hence not yet controllable. To gain more knowledge about their origin, optical engines and CFD simulations are well established methods to investigate and develop knew combustion processes. Hydrogen’s wide flammability range and its short quenching distance bring new challenges. However, optical engines give the best insight into the real combustion behavior. Therefore, their understanding and proper modeling in the simulation is of great importance to calibrate the simulation models accurately. For optical engines there are diverging opinions on how to deal with their blow-by losses. Due to their lack of oil different sealing mechanisms exist and those seem to be crucial for the question on how or wether the blow-by has to be modelled. proposed a numerical multi-zone blow-by model whereas the opinion at is to neglect those losses.

Infill drilling is one of the most effective methods to improve the performance of poly-mer flooding. The difficulties related to infill drilling are determining the optimal numbers and placements of infill wells. In this study, an improved archimedes optimization algorithm with Halton sequence (HS-AOA) was proposed to overcome the aforementioned difficulties. First, to optimize the infill well placement for polymer flooding, an objective function that considered the economic influence of infill drilling was developed. Then, the novel optimization algorithm (HS-AOA) for infill well placement was developed by combining the AOA with the Halton se-quence. The codes were developed in MATLAB and connected to a commercial reservoir simula-tor CMG STARS to carry out the infill well placement optimization. Finally, the HS-AOA was compared to the basic AOA to confirm its reliability and then used to optimize the infill well placements for polymer flooding in a typical offshore oil reservoir. The results showed that the introduction of the Halton sequence into AOA effectively increased the diversity of the initial ob-jects in the AOA and avoided the HS-AOA trapping into the local optimal solutions. The HS–AOA outperformed the AOA. It was an effective approach to optimize the infill well placement for polymer flooding processes. In addition, infill drilling could effectively and economically im-prove the polymer flooding performance in offshore oil reservoirs. The NPV of the polymer flooding case with infill wells determined by HS-AOA reached 3.5 × 108 $, which was an increase of 7% over that of the polymer flooding case. This study presents an effective method for opti-mizing infill well placement for polymer flooding processes. It also can serve as a valuable refer-ence for other optimization problems in the petroleum industry, such as joint optimization of well control and placement.

Carbon capture, utilization, and storage (CCUS) considered a the key strategy for reducing the emissions of anthropogenic carbon dioxide from power generation plants, can be achieved by three main technologies: oxy-fuel combustion, pre-combustion, and post-combustion capture. Post-combustion carbon capture (PCC), where CO2 is removed after the fuel burning, is a crucial solution for reducing greenhouse gas emissions from natural gas power plants (NGPPs). However, high costs and energy penalties associated with PCC technologies hinder their widespread adoption. Recent advancements in hybrid PCC configurations have shown promise in improving efficiency and reducing costs. In effect, six PCC hybrid configurations below were identified as feasible process routes: • 2S-AB +AD: Two-stage Absorption + Adsorption hybrid • 2S-AB +MB: Two-stage Absorption + Membrane hybrid • 2S-AD +AB: Two-stage Adsorption + Absorption hybrid • 2S-AD +MB: Two-stage Adsorption + Membrane hybrid • 2S-MB +AB: Two-stage Membrane + Absorption hybrid • 2S-MB +AD: Two-stage Membrane + Adsorption hybrid Each hybrid has its own technical and economic challenges that need to be investigated in order to identify the best technique for carbon capture. In this paper, we performed Aspen Hysys design simulation of the six hybrids PCC configurations and also their economic evaluations using parameters like investment costs, operating costs, net present value, and rate of return, culminating in the use of three assessment parameters namely, levelized cost of electricity (LCOE), carbon emission intensity (CEI) and cost of carbon avoidance (COA), to evaluate the six hybrids PCC configurations and to determine the most viable option. Overall, it was found by dimensional analysis that the post combustion carbon capture using 2S-MB +AB: Two-stage Membrane + Absorption hybrid is the most viable for capturing CO2 from power generation plants and is hereby recommended. However, the choice of materials (membranes and absorbents) needs to be evaluated so as determined the best optimal configuration for commercialization.

Psychiatric disorders, characterized by complex and fluctuating patterns of thoughts, emotions, and behaviors, can be effectively modeled and visualized using mathematical wave equations. This study explores the representation of three major psychiatric conditions— Psychosis, Bipolar Disorder and Obsessive Compulsive Disorder (OCD)—through the application of differential equations, damping factors, and noise perturbations. Psychosis is modeled using Lissajous figures with high-frequency components, damping, and noise, symbolizing the irregular and erratic thought patterns characteristic of this condition. The inclusion of random perturbations and varying frequencies illustrates the chaotic and unpredictable nature of psychotic episodes, while damping effects reflect the temporary reductions in symptom intensity. For bipolar disorder, a system of partial differential equations simulates the cyclical nature of manic and depressive episodes. The model captures high-energy manic phases with periodic disturbances and the subsequent transition to lower-energy depressive states through damping effects. This representation highlights the oscillatory behavior and recurring episodes inherent to bipolar disorder. OCD is represented with Circumferential Complex Equations in Mult directions. The resulting graphical representations provide intuitive visual insights into the dynamics of these psychiatric disorders. By leveraging wave equations and mathematical modeling, this approach offers a novel perspective on understanding and analyzing the complex behaviors associated with OCD, bipolar disorder and psychosis. This method not only aids in the conceptualization of psychiatric phenomena but also underscores the potential of mathematical tools in the study of mental health conditions.

This study examines geothermal energy extraction potential from the basement rock within the Denver-Julesburg (DJ) Basin, focusing on flow performance and heat extraction efficiency of different geothermal well configurations. It specifically compares U-Shaped, V-Shaped, Inclined V-Shaped, and Pipe-in-Pipe configurations against Enhanced Geothermal Systems (EGS) setups. Through numerical modeling, we evaluated the thermal behavior of these systems under various operational scenarios and fracture conditions. Results suggest that while closed-loop systems offer moderate temperature increases, EGS configurations show substantial potential for high-temperature extraction. This underscores the importance of evaluating well configurations in complex geological settings like the DJ Basin. The insights from this study aid in strategic geothermal energy planning and development, marking significant advancements in geothermal technology and setting a foundation for future explorations and optimizations.

The installation of electric vehicle supply equipment (EVSE) increases demand and peak loads, potentially straining existing energy distribution infrastructure. Dispersed and inadequately planned placement of charging points (CPs) can disrupt the electrical grid, surpass contracted demand thresholds, and require infrastructure upgrades, thereby incurring unfeasible costs for Distribution System Operators (DSOs). In this context, it is necessary to recognize the role of business models in enabling effective electrification of the transportation sector. In response to these challenges, this paper introduces a novel e-mobility hub management strategy, tailored for implementation in the Brazilian context. The proposed strategy revolves around a microgrid configuration encompassing dispatchable and photovoltaic generation, a battery energy storage system (BESS), EVSE infrastructure, and local loads. Moreover, this centralized controller facilitates the implementation of dynamic pricing and demand-response mechanisms, integral to business models seeking to integrate EVSE into the distribution grid. To validate the efficacy of the proposed solution, hardware-in-the-loop (HIL) simulations of the microgrid system are conducted. These simulations, incorporating the centralized controller, serve as a tool for assessing system performance and viability before on-site equipment deployment. Finally, this paper concludes with the insights gleaned from test analysis and its discussion through a selection of the most expressive scenarios, including islanded and connected operation modes.

Addressing the significant challenge in high-speed cotton dibbling operations in Xinjiang—specifically, the duck bill’s ("Duck bill" is a type of duck-billed bunch planting mechanism or component). shortened opening duration leading to seed throwing and floating—a new crawler-type delayed hole-forming mechanism has been designed. This mechanism extends the duck bill horizontally, thereby prolonging its opening time, enabling cotton sowing speeds of up to 6 km/h. Following agronomic principles for cotton planting, the overall layout of the crawler-type hole-forming mechanism, the structural parameters of the key components and the trajectory of the hole-forming are determined. We use the Discrete Element Method (DEM) and multi-body dynamics coupling method to simulate and analyze the motion process of the device. The fixed the tilt angle of the duck bill α(A), the depth of the duck bill hole-forming into the soil h(B), and the angle of rotation of the moving duck bill β(C) were taken as the experimental factors, with the longitudinal length of cotton seed hole (Y1) and the hole-forming depth of cotton seed hole (Y2) as the response values. The parameter range of each factor and the preliminary influence on the response value were determined through pre-experiments and single-factor simulation test. Based on RecurDyn-EDEM coupling, a quadratic regression orthogonal rotation combination simulation test was carried out. The results show that the order of the primary and secondary factors affecting the Y1 of the time-lapse hole-forming device was: A > C > B. The order of primary and secondary factors affecting the Y2 of the delayed hole forming device was: B > C > A. When the A was 2.4 °, the B was 42.4 mm, and the C was 30.5 °, the performance of the hole-forming was the best, and the Y1 was 26.4 mm, and the Y2 was 25.0 mm. The bench verification test results show that under the optimized combination of operating parameters, the average Y1 was 29.1 mm, and the average Y2 was 23.2 mm. Compared with the results of the previous coupled simulation model, the average relative errors of the two are 7.23 % and 4.36 %, respectively, indicating the accuracy and effectiveness of the established DEM simulation model and virtual test analysis. The hole-forming area and the opening time of the duck bill after the stable operation of the machine were recorded and measured. The calculated hole dislocation rate Hc was 4.33 %, which did not exceed the national standard requirement of 6 %. The qualified rate of hole distance Hx was 94.33 %, which was much higher than the national standard requirement of 80 %. The average opening time of the duck bill at a speed of 6 km/h is 0.45 s, which is much longer than the time required for cotton seeds to fall from the duck bill 0.11 s. It meets the requirements of high-speed cotton planting in China and facilitating advancements in future high-speed planter technology.

Based on the goals of "high reliability, high frequency, rapid launch, and low cost" for space launch site, and drawing inspiration from the design principles of SpaceX's Starship launch test facility, an integrated dual-sided deflector system for convective cooling and thermal protection is presented. The interaction process between the gas jet and liquid water jet and its effect on the flow field environment are thoroughly studied using numerical calculation methods. Furthermore, Regarding the phase-change heat transfer issue in a compressible gas-liquid two-phase flow and the varying distribution of different bubble shapes and sizes at the gas-liquid interface, a modified Lee model is derived. The rationality and accuracy of the phase-change mass-transfer coefficient values can be improved by adjusting the equivalent diameter and shape factor of the bubbles. The research results demonstrate that compared to the classical Lee model, the modified Lee model can achieve a higher numerical accuracy in predicting the heat and mass transfer processes in gas-liquid two-phase flows. Through comparative analysis with traditional dual-sided deflector and conventional cooling system, the integrated dual-sided deflector system for convective cooling and thermal protection exhibits significant performance advantages in gas flow regulation, flow field environment improvement and erosion protection in the near-ground region of the launch site. Particularly, regarding the thermal environment of the dual-sided deflector, it not only achieves effective flow deflection, but also mitigates the degree of erosion caused by the gas jet on the deflector. This conclusion can provide theoretical references for the thermal protection design of commercial launch vehicle system at space launch site.

The fitting and modeling of skewed, complex, symmetric, and asymmetric datasets is an exciting research topic in many fields of applied sciences, notably lifetime, medical, and financial sciences. The Heavy tailed Nadarajah Haghighi model is introduced by compounding the heavy tailed family and Nadarajah Haghighi distribution in this paper. The so obtained model has three parameters accounting for the scale and shape of the distribution. The proposed distribution's fundamental characteristics such as probability density, cumulative distribution, hazard rate, and survival functions are provided, and several key statistical properties are established, and several entropy information measures are proposed. The estimation of model parameter is performed via the ML procedure. Further, different simulation experiments are conducted to demonstrate the performance of proposed estimator’s using some measure, like the average estimate, the average bias, and associated mean square error. Finally, we are applied our proposed model to analyze three different real datasets. In our illustration, we are compared the practicality of the recommended model with several well-known competing models.

The research work explores the impact of temperature on Silicon photovoltaic (PV) panels considering Nigeria as case study. It is found that high solar radiation in Nigeria increases surface temperature of PV panel above 25oC of optimal operating temperature of PV panels. Redundant energy gain from incident solar energy is dissipated at the rear of PV panels as heat, which reduces the efficiency of PV panel. Cooling mechanism is needed to cool the PV panels to increase the efficiency. In this study we demonstrated a unique design of a bifunctional photovoltaic-thermal (PVT) system by employing heat exchanger at the rear of PV panel and water is used as a working fluid that is circulated through the heat exchanger to remove the excess heat. It is observed from the simulation results that Maiduguri peak annual electrical power output gives 1907kWh/kWp which is the highest, because of high solar radiation average of 727W/m2 in a year. And for Makurdi the peak annual electrical power output of 1542kWh/kWp while for Port Harcourt the peak power output of 1355kWh/kWp respectively. Interestingly, Polycrystalline Si-PV surface temperature decrease from 49.25oC to 38.38oC. Electrical power increased from 1526.83W to 1566.82W in a day and efficiency increase from 13.99% to 15.01%.

Dysregulation of the Cyclin-dependent kinase 8 (CDK8) activity has been associated to many diseases including the colorectal and breast cancer. As usual in the CDK family, the activity of CDK8 is controlled by a regulatory protein called cyclin C (CycC). But while human CDK family members are generally activated in two steps that is, the binding of the cyclin to CDK and the phosphorylation of a residue in the CDK activation loop, CDK8 does not require the phosphorylation step to be active. Another peculiarity of CDK8 is its ability to be associated to CycC while adopted an inactive form. These specificities raise the question of the role of CycC in the complex CDK8-CycC, which appears to be more complex than for the other members of CDK family. Through MD simulations and binding free energy calculations, we investigated the effect of CycC on the structure and dynamics of CDK8 on the one hand, and the structural molecular basis of the protein-protein interaction between the two partners on the other hand. We found that CycC has a stabilizing effect on CDK8 and identified specific interaction hotspots within its interaction surface compared to other human CDK/Cyc pairs. Targeting these specific interaction hotspots could be a promising approach in terms of specificity, to effectively disrupt the interaction between CDK8. The simulation of the conformational transition from the inactive to the active form of CDK8 suggests that the residue Glu99 of the CycC may assume the role of the missing phosphorylation step in the activation mechanism of CDK8. In a more general view, these results point the importance of keeping the CycC in computational studies when studying the human CDK8 protein in both the active and the inactive form.

Electrical contacts are important circuit components with diverse industrial applications, and their failure can lead to multiple unwanted effects. Hence, the behavior of electrical contacts is a widely studied topic in scientific literature based on various approaches, tools, and techniques. The present study proposes a numerical modeling and simulation approach based on the Holm contact theory to study the dependence between the electric potential and the temperature within an electrical contact. Structured in 5 sections, the research was conducted using COMSOL Multiphysics software and its solid-state mechanics, electric current, and heat transfer modules in order to highlight contact behavior from mechanical, electrical and thermal points of view: the von Mises stress, contact force, the electric field amplitude, the variation of the electrical potential along the current path, the temperature gradient, and dependence of temperature along the contact elements edges were obtained by simulation and graphically represented. The results are in line with the expectations and with past research that was studied in the literature review.

: This study presents energy and exergy analyses conducted on a Gifford-McMahon cycle refriger-ator. Through detailed numerical simulations, the performance of the refrigerator is thoroughly assessed, with a particular focus on energy and exergy losses. The obtained results are compared with Sankey and Grassman diagrams, providing visual representations of energy and exergy flows within the system. The localization of exergy losses is carefully analysed to identify key areas for optimization aimed at enhancing efficiency and power output. By pinpointing sources of ex-ergy destruction, targeted improvements can be implemented to maximize the overall perfor-mance of the refrigerator. Overall, this research contributes to a deeper understanding of the thermodynamic behaviour of Gifford-McMahon cycle refrigerators and provides valuable insights for optimizing their performance in practical applications.

The research on the excavation mechanical properties of underpass tunnels has already had certain results, but fewer of them consider the effects of dynamic and static loads on the excavation mechanical properties of underground tunnels at the same time, especially the lack of research cases of double-line highway tunnels with angled underpasses of existing railway tunnels. In this paper, based on the tunnel project of the new double-line Shiqian Highway Tunnel passing under the Hurong Railway at an oblique angle, the mechanical parameters of the rock body in the cross-tunneling area under the influence of static and dynamic load coupling are obtained by using the disturbance quantification coefficients and the Hoek-Brown criterion based on the method of over-advanced geological prediction and the investigation of the surrounding rock on the palisade face, and the engineering-scale finite element model is constructed and the mechanical characteristics of the excavation in the tunnel of the double-lane highway tunnel passing under the existing railroad under the influence of the static and dynamic loads are analyzed. The results show that: the new tunnel rock movement law for the top of the arch sinking, bottom plate bulging, side wall to move outward, the height and width of the arch and bottom plate arch with the tunnel excavation and increase, the side wall rock displacement effect is smaller; left and right lines of the tunnel disturbed area of the rule of change is similar; the existing tunnel bottom plate displacement is more than the top plate and the left and right side walls by the excavation of the time step influence is larger. Typical profile displacement is mainly determined by the distance from the excavation surface; the new tunnel in the four types of calculation conditions of the rock disturbance angle is the same; the existing tunnel roof and side wall Von Mises stress extreme occurs in the tunnel structure, the bottom plate there are pressure relief and pressure-bearing areas; based on the displacement control criteria, the recommended upper and lower step blasting method.

The early detection of small cracks in large structures is a crucial requirement for the implementation of structural health monitoring (SHM) system with a low transducer density. This work presents the results of the analysis of scattering of a submillimeter notch type defect with semielliptical shape with a groove at constant width 100µm in a 4.1mm thick aluminum plate. The defect is investigated with an ultrasonic guided wave (UGW) A0 mode at 550 kHz to cover long range in a thick plate. The mode selection is obtained by interdigital transducers designed to operate with 5mm central wavelength. The novel contribution is the assessment of the scattering amplitudes at different orientations of the defect when the distance is large as 35 cm in pulse-echo mode or 70 cm in pitch-catch mode. The system model is based on Finite Element Model (FEM) simulations and the results are in good agreement with experimental tests. The detection of the defect is obtained by comparing the scattered signals from the defect with base line signals of the pristine laminate. The analysis of scattering features and the efficient excitation with a probing UGW show the potential implementation in real structural health monitoring (SHM) systems.

This paper presents a mathematical modeling approach utilizing a fuzzy modeling framework for fixed wing aircraft systems with the goal of creating a highly desirable mathematical representation for model-based control design applications. The starting point is a mathematical model comprised of fifteen non-linear ordinary differential equations representing the dynamic and kinematic behavior applicable to a wide range of fixed wing aircraft systems. Here the proposed mathematical modeling framework is applied to the AIRBUS A310 model developed by ONERA. The proposed fuzzy modeling framework takes advantage of sector non-linearity techniquesto recast all the non-linear terms from the original model to a set of combined fuzzy rules. The result of this fuzzification is a more suitable mathematical description from the control system design point of view. Therefore, the combination of this fuzzy model and the wide range of control techniques available in the literature for such kind of models will enable us to avoid common control design methods, such as gain scheduling, where stability issues can be extremely challenging.

Generalized distributions have been studied a lot recently because of their flexibility and relia-bility in modeling lifetime data. The two-parameter exponentially-modified logistic distribution is a new flexible modified distribution that was introduced recently. It is regarded as a strong competitor for widely used classical symmetrical and non-symmetrical distributions such as normal, logistic, lognormal, and log-logistic. In this study, the unknown parameters of the dis-tribution are estimated using the maximum likelihood method. The Grey Wolf Optimization al-gorithm, which is a new meta-heuristic algorithm, is applied in order to solve the nonlinear like-lihood equations of the study model. The performance of the Grey Wolf Optimization method is compared to that of the other meta-heuristic algorithms used in this study, which include the Whale Optimization Algorithm, the Sine Cosine Algorithm, and the Particle Swarm Optimiza-tion Algorithm. The efficiencies of maximum likelihood estimates for all algorithms are com-pared via an extensive Monte-Carlo simulation study. The likelihood estimates for the location α and scale β parameters of the exponentially-modified logistic distribution developed with the Grey Wolf Optimization algorithm are the most efficient among others, according to simulation findings. Four real datasets are analyzed to show the flexibility of this distribution.

In response to growing industrial demands, necessitated by larger ships and increased cargo volumes, many port authorities worldwide are undertaking a significant expansion of their infrastructure to increase their capacity. Significant expansion raises challenges such as potential congestion and environmental concerns, especially for port located in urban area as the case study explored in this paper. To address these issues, the study employs a combination of scenario analysis developed in collaboration with the port authority and logistic system simulation. This approach assesses the capacity of existing access gates to handle the increased trucking traffic and optimizes the unloading process of construction trucks at a new terminal. Key findings suggest that while the current gate capacities are adequate, optimizing unloading times at the new terminal is critical to prevent road congestion in urban area before the gate and reduce negative impacts such as sound and atmospheric pollution. The study advocates for an appointment system during peak hours to manage traffic flow effectively and underscores the importance of collaboration between the city and port authorities in managing truck traffic to mitigate congestion on the city side. Nonetheless, the study recognizes certain constraints, including the incomplete evaluation of the influence of intermodal transport on truck traffic. Furthermore, the study emphasizes the need for future research to consider the correlation between vehicle numbers and service levels, aiming to effectively adjust the time in the system.

In several emergency situations, during natural or human-caused disasters, frontline responders need to be able to communicate and collaborate to properly carry out the relief mission. Some countries are building their national Public Safety Mobile Broadband based on cellular LTE technology to provide fast, safe, and secure emergency services. Otherwise, in several emergency situations, the cellular antennas can be overloaded or partially damaged in manner to affect the group communication services. Since few last years, direct device-to-device (D2D) communications have been proposed by 3GPP as an underlay to Long Term Evolution (LTE) networks based on proximity, reuse, and hop gains. This paper focuses on the loosely coupled model based on D2D direct communication for Public Safety context. Many scenarios related to user membership and network management are detailed. Both “less cost” and “optimized tree” approaches are proposed, implemented, and their performance evaluated in terms of network updates number and resulting average Channel Quality Indicator (CQI). Other optimization approaches with different CQI threshold and optimization interval values have been implemented, simulated and their performance are compared with the “optimized tree”.

Eruca sativa is a commonly used edible plant in Italian cuisine. E. sativa 70% ethanol extract (ES) was fractionated with five organic solvents. Ethyl acetate fraction(EEA) had the highest antioxidant activity, which was correlated with the total polyphenol and flavonoid content. ES and EEA acted as PPAR-α ligands by PPAR-α competitive binding assay. EEA significantly increased cornified envelope formation as a keratinocyte terminal differentiation marker in HaCaT cells. Further, it significantly reduced nitric oxide and pro-inflammatory cytokines in lipopolysaccharide-stimulated RAW 264.7 cells. The main flavonol forms detected in high amounts from EEA are mono-, and di-glycoside of each aglycone. Flavonol mono-glycosides were shown to be a potent PPAR-α ligand using molecular docking simulation and showed the inhibition of nitric oxide. These results suggest that E. sativa is suitable for use in improving skin barrier function and inflammation in skin disorders, such as atopic dermatitis.

(1) Background: OCT imaging has been used to assess enamel demineralization in dental research but is not yet developed enough to qualify as a diagnostic technique in clinics. The current capabilities of most commercial acquisition software allow for visual and qualitative assessment. There is a need for a fast and verified batch-processing algorithm for segmenting and analyzing the de-mineralized enamel. This study suggests a GUI MATLAB algorithm for processing and quantitative analysis of the demineralized enamel. (2) Methods: A group of artificially demineralized human enamels was in vitro scanned under the OCT, and ROI frames were extracted. By using a selected intensity threshold colormap, inter- (Ie) and intra- (Ia) prismatic demineralization can be segmented. A set of quantitative measurements for average demineralized depth, average line profile, and integrated reflectivity can be obtained for an accurate assessment. Real and simulated OCT frames were used for algorithm verification. (3) Results: A strong correlation between automated and known Excel measurements for the average demineralization depth was found (R² > 0.97). (4) Conclusions: OCT image segmentation and quantification of the enamel demoralization zones are possible. The algorithm can assess the future development of a real-time assessment of dental diagnostics using an oral probe OCT.

Agricultural drainage canals that connect upstream fish spawning areas to downstream rivers and lakes serve as crucial habitats for migrating fish. However, disconnections, such as drops and chutes, have been constructed in these canals due to agricultural modernization and flood control measures, hindering the movement of fish with limited swimming abilities. Portable fishways offer a promising solution to reconnect water bodies in agricultural canals, as they can be easily removed during high water discharges to avoid impeding the canals' drainage function. In addition to experimental assessments of fishway functionality, employing a hydrodynamic model to explore effective placement strategies for portable fishways is essential to maximize their effectiveness. This study presents a method to determine the best horizontal location of a portable fishway in an agricultural drainage canal using two-dimensional hydrodynamic simulations within the specified cases. The applicability of this method is demonstrated by addressing the positioning challenge of a portable fishway on a chute in an agricultural drainage canal in Japan. Results indicate that the proposed method allows for the selection of a suitable location, considering preferable hydraulic conditions both within the portable fishway and around its entrance.

Cycle times at workstations in offsite construction factories fluctuate widely due to various influencing factors. Consequently, relying on average rates, such as length per unit of time, for estimating cycle times proves to be inaccurate, often leading to significant deviations between production schedules and actual operations. To address this issue, this study proposes an estimation system that leverages machine-learning-based prediction, statistical methods, 3D simulation, and computer vision to predict cycle times at the workstation level. Testing of the system on a semi-automated wood-wall framing workstation in a panelized construction factory shows that it reduces the mean absolute error and sum of errors by approximately 36% and 68%, respectively, compared to the fixed rate method. The results also highlight the efficacy of using computer vision data for training machine-learning models for cycle time estimation, the importance of identifying and understanding the factors influencing cycle times, and the impact of random delays on the accuracy of cycle time estimation systems.

In recent years, the genesis of natural gas and the definition of major gas source rocks in the Baiyun Sag of the Pearl River Mouth Basin have attracted extensive attention from scholars. There is still considerable controversy over the genesis and the main gas source rocks of natural gas. In this study, the chemical kinetics method of natural gas generation and carbon isotope fractionation was used to study the generation history and isotope evolution history of Paleogene natural gas in the Y5 well area located on the north slope of Baiyun Sag. And other geochemical discriminant methods were applied simultaneously to determine the type and source rocks of natural gas. The results show that the natural gas in the Y5 well area on the northern slope of Baiyun Sag is mainly kerogen degradation gas, mixed with a small amount of oil cracking gas. The mixture of kerogen degradation gas and a small amount of crude oil cracking gas caused the inversion of the carbon isotope sequence of ethane and propane. The natural gas in the Y5 well area mainly comes from delta–shallow lacustrine facies source rock. The high–quality reservoirs in the shallower strata accumulate natural gas generated in the early stage, and the tight reservoirs in the deeper strata mainly accumulate natural gas generated in the late stage.

One of the rapidly developing research areas in the power system is the integration of distributed generation (DG) with the distribution system. The size and location of DG sources had a considerable impact on power system networks. Artificial intelligence (AI) techniques can be used to address multidimensional problems relating to DG size and location in distribution systems. Heuristic optimization offers a reliable and effective method for solving complicated real-world problems. This work focuses on a hybrid approach that combines the two heuristic optimization methods i.e., Particle Swarm Optimization (PSO) and Genetic Algorithm (GA) for the optimal siting and sizing of DG in distribution systems. This hybrid approach combines ideas from GA and PSO and generates individuals in a new generation using both PSO mechanisms and the procedures found in GA. An extensive performance analysis of the IEEE 14 busbar standard test system is conducted to demonstrate the viability of the suggested methodologies. In the designated locations, DG is placed, and the outcomes have been verified. The results indicated that the right placement of DG injection enhances the voltage profile and lowers the distributed system’s power losses. These techniques offer unique methods for determining the location of the DG unit, demonstrating the potential of such a computational techniques to reduce computing time and complexity while simultaneously reducing human errors associated with hit-and-trail methods.

Polo-like kinase 1 (PLK1) plays a pivotal role in cell division regulation and emerges as a promising therapeutic target for cancer treatment. Consequently, the development of small-molecule inhibitors targeting PLK1 has become a focal point in contemporary research. The adenosine triphosphate (ATP)-binding site and the polo-box domain in PLK1 present crucial interaction sites for these inhibitors, aiming to disrupt the protein's function. However, designing potent and selective small-molecule inhibitors can be challenging, requiring a deep understanding of protein-ligand interaction mechanisms at these binding sites. In this context, our study leverages the fragment molecular orbital (FMO) method to explore these site-specific interactions in-depth. Through the FMO approach, we used the FMO method to elucidate the molecular mechanisms of small-molecule drug binding to these sites to design PLK1 inhibitors that are both potent and selective. Our investigation further entailed a comparative analysis of various PLK1 inhibitors, each characterized by distinct structural attributes. This comparison enhanced our understanding of the structure-activity relationships of these inhibitors, underscoring the efficacy of the FMO method in identifying critical binding features and predicting binding modes for small-molecule ligands. Furthermore, Our research spotlighted "hot spot" residues instrumental for selective and robust PLK1 binding. Our findings offer profound insights, priming the rational design of innovative potential PLK1 inhibitors with significant implications for developing anticancer therapeutics.

The production of anatase titanium dioxide particles plays a crucial role in the sulfate process used for manufacturing white pigment. A key factor in improving the quality of white pigments is enhancing the thermal mixing process within the precipitation tank. This improvement ensures the uniform dispersion of seed particles instead of their agglomeration, leading to the formation of particles with uniform sizes. The objective of this study was to enhance three-phase CFD simulations involving the mixing process of H₂SO₄ solution, steam as a gas phase, and solid seed particles. By analyzing the trajectories of the seed particles using CFD, the optimal injection position for the seed particles within the mixing process was determined. Subsequently, lab scale test and real field test were conducted based on the insights gained from the CFD simulations. The particle size distribution of two different types of seed inlets was analyzed and compared using Transmission Electron Microscopy (TEM). The findings of this study demonstrate that the developed multi-phase CFD simulation can be effectively utilized to enhance the precipitation process for the production of anatase titanium dioxide particles.

Variations in threshold voltage (VTH) and charge distributions in noncircular cells of three-dimensional (3D) NAND flash memory are investigated. The electric field difference in the circular and spike regions causes nonuniform trapped electron density in the charge trap layer (CTL) and influences the VTH variation. Such less-trapped electron (LT) regions in CTL between the circular and spike regions exhibit a lower electric field during the program, resulting in a higher current flow through that region. For the two-spike cells, the charge distribution and VTH variation are analyzed at different heights (HSpike) and angles between spikes. These irregular cells decrease VTH as the HSpike increases.

The entry and exit method is a simple and practical method to determine the critical slip surface of slope. However, it has the drawback of sacrificing computational efficiency to improve search accuracy. To solve this problem, this paper proposes an improved entry and exit method to search for the critical slip surface. Based on the random fields generated by using Karhunen–Loève expansion method, the simplified Bishop’s method combined with the improved entry and exit method is used to determine the critical slip surface and its corresponding minimum factor of safety. Then, the failure probability is calculated by conducting Monte Carlo simulation. Two examples are reanalyzed to verify the accuracy and efficiency of the proposed method. Meaningful comparisons are made to demonstrate the calculating accuracy and calculating efficiency of the improved entry and exit method in searching for the minimum safety factor of slope, based on which the effect of the reduced searching range on slope reliability was explored. The results indicate that the proposed method provides a practical tool for evaluating the reliability of slopes in spatially variable soils. It can greatly improve the computational efficiency in relatively high-computational accuracy of slope reliability analysis.

In this paper, possibilities for the bandwidth and wavelength utilization in future next-generation passive optical networks are presented and reasons for realizing and utilizing of extended dynamic wavelength and bandwidth algorithms for NG-PON2 networks are analyzed. Next, principles of the effective dynamic bandwidth allocation are introduced in details, focused on the importance of the decision criterion optimization. For achieving better bandwidth utilization of dedicated wavelengths, this paper is focused on the novel effective dynamic bandwidth allocation algorithm with adaptive allocation of wavelengths to ONU units and on the optimization of the decision criterion. For analyzing the novel extended DWBA algorithm utilizing for various wavelength allocation cases possible in NG-PON2 networks, a simulation program with the enhancement of the EDBA algorithm is realized. Finally, an optimization of the decision criterion defining a minimum bandwidth utilization of the actual wavelength is executed for NG-PON2 networks based on the hybrid TWDM technique.

Drafting formations have been long recognized as highly effective for reducing drag and enhancing athletic performance, particularly in race walking events. The precise spacing and positioning of the race walkers are critical to optimizing the effectiveness of drafting. In this study, the drag reduction of 15 drafting formations is investigated using wind-tunnel experiments and CFD numerical simulations. The results show excellent consistency in drag reduction rate between the two methods, with differences being within 10%. This can be attributed to spacing replacing body shape differences as the primary factor influencing drag reduction. Optimal double, triple, and quadruple drafting formations produce the same results in both wind-tunnel experiments and CFD simulation, resulting in drag reductions of 67%, 66%, and 81% (wind-tunnel) and 65%, 72%, and 85% (CFD). The sources of drag differences in the two methods are discussed from various aspects. The flow field obtained through CFD analysis is used to examine the mechanism of drag reduction, revealing that drafting formations have a significant shielding effect on incoming air, which reduces the number and speed of airflow impacting the core race walker. This shielding effect is identified as the primary cause of drag reduction. Using an empirical model for mechanical power output, optimal double, triple, and quadruple drafting formations enhance sport economy (4.4-5.7%), speed (3.61-4.67%), and performance (173.8-223.3s) compared to race walking alone. The findings can serve as a reference for race walkers' positioning strategy and provide insights for considering drafting formations in various running events.

The ultrasonic vibration assisted pressing process can improve the fluidity, the uneven distribution of density and particle size of WC-Co powder. However, the microscopic mechanism of ultrasonic vibration on the powder remains unclear. In this paper, WC and Co particles are simulated by three-dimensional spherical models of two particle sizes with the aide of the secondary development of Python. At the same time, the forming process of powder at mesoscale is simulated in the virtue of the finite element analysis software ABAQUS. The influence of vibration amplitude on the fluidity, the filling density and the stress distribution of WC-Co powder is investigated when the ultrasonic vibration is applied to the conventional pressing process. From simulation results, the ultrasonic vibration amplitude has great influences on the density of the compact. With the increase of the ultrasonic amplitude, the compact density also increases gradually. At the initial stage of the compaction, the particles move violently under the action of ultrasonic vibration, the fluidity is obviously enhanced, the arch bridge effect between particles is destroyed, the fine particles quickly fill the pores between the large particles, which increase the density, and the residual stress in the billet decreases after the compaction. From the experimental results, the size distribution of the billet is more uniform, the elastic aftereffect is reduced, the dimensional instability is improved, and the density curves obtained by experiment and simulation are within a reasonable error range.

Being one of the most critical phases of a flight, landing deserves specific attention, especially when the aircraft is subject to external disturbances such as wind. A notable concern associated with touchdown events, especially when crosswind is present is tire wear. This work is aimed first at developing a nonlinear flight simulator able to handle the entire landing maneuver in non-null wind conditions, considering the airborne phase, ground run, and the transition between them. Then, the simulator is included in an optimal process to define the landing technique associated with the minimum tire wear. The methodology is tested in a simulation environment with a realistic model of a reference aircraft, showing that a significant reduction of tire wear can be obtained by optimizing the sideslip angle at touchdown and the lateral-directional controls after the airplane touches the runway with both legs of the main landing gear.

To obtain a given structure in 3D building-up modes, it is necessary to use optimal surfacing modes that determine the amount of heat input in local areas. For this purpose, aluminum bronze was surfacing onto a deformed base and the structure and its characteristics in the surfacing and heat-affected zones were studied by the EBSD method. The heterogeneity of the formation of the structure in each selected zone is established, which indicates the heterogeneity of heat input in local areas of the material in one mode of surfacing. For typical cases of crystallization, a molecular dynamics simulation of crystallization processes with different heat input to the base with characteristics specified based on experimental data was carried out. It has been established that the amount of heat input determines the degree of melting and the inherited defectiveness of growing crystals. The formation of misorientation boundaries and crystallization centers of new grains is determined by the conditions of joint growth of grains with given crystallographic parameters of the computational model. Numerical calculations agree with the experimentally observed results.

Accurate analysis of continuous-wave electron spin resonance (cw ESR) spectra of biological or organic free-radicals and paramagnetic metal complexes is key to understand their structure-function relationships and electrochemical properties. Current method of analysis based on simulations often fail to extract the spectral information accurately. In addition, such analyses are highly sensitive to spectral resolution and artifacts, users’ defined input parameters and spectral complexity. We introduce a simulation-independent spectral analysis approach that enables broader application of ESR. We use a wavelet packet transform-based method for extracting g values and hyperfine (A) constants directly from cw ESR spectra. We show that our method overcomes the challenges associated with simulation-based methods for analyzing poorly / partially resolved and unresolved spectra, which is a common in most cases. The accuracy and consistency of the method are demonstrated on a series of experimental spectra of organic radicals and copper-nitrogen complexes. We showed that for a two-component system, the method identifies their individual spectral features even at a relative concentration of 5% for the minor component.

Phthalate esters (PAEs) are a ubiquitous kind of environmental endocrine-disrupting chemicals, causing environmental and health issues. EstJ6 is an effective phthalate-degrading hydrolase, and its mutant with a combination of three non-conservative distal mutations has an improved activity against PAEs with unknown molecular mechanisms. Herein, we attempt to fill the significant gap between distal mutations and the activity of this enzyme using computational approaches. We find mutations result in a redistribution of enzyme’s preexisting conformational states and dynamics changes of key functional regions, especially the lid over the active site. The outward motion of the lid upon mutations should make it easier for substrates or products to enter or exit. Additionally, the stronger substrate binding affinity and conformational rearrangements of catalytic reaction-associated residues in mutant, accompanied by the strengthened communication within the protein, might contribute to the elevated catalytic efficiency. Finally, an attempt has been done to improve the thermostability of EstJ6 upon introducing a distal disulfide bond between residues A23 and A29, and the simulation results are as expected. Together, our work explored the allosteric effects caused by distal mutations, which could provide insights into the rational design of esterases for industrial applications in the future.

By employing a variation of the polyamidation method using in situ silylated diamines and acid chlorides, it has been possible to obtain a rod-type polyamide: poly(p-phenylene terephthalamide) (PPTA, a polymer used in the high value-added material Kevlar), with a molecular weight much higher than that obtained with the classical, and industrial, polyamidation method. The optimization of the method has consisted in using, together with the silylating agent, a mixture of pyridine and a high pKa tertiary amine. The research has been complemented by a combination of nuclear magnetic resonance and molecular simulation studies, which have determined that the improvements in molecular weight derive mainly from the formation of silylamide groups in the growing polymer.

Digital Elevation Model (DEM) is a representation of elevation data that represent terrain with or without overlaying objects of the Earth. It is the ideal and most widely used method for determining topography. DEMs are generated from various techniques such as traditional Surveying, Photogrammetry, InSAR, LiDAR, Clinometry and radargrammetry. It has been observed that mostly LiDAR-generated DEMs provide the best accuracy. The unavailability of LiDAR data in most of the region restricts global researchers from high-resolution and accurate DEMs. The recent launch of ICESat-2 with a 13m beam footprint and 0.7m pulse interval, promises elevations at high orbital precision. Its accuracy is of the order of few centimeters in complex topography, because of this ICESat-2 proves to be a good source to generate high-accuracy DEMs. ICESat-2 provides discrete photon data with elevations of points on the Earth’s surface. Traditional interpolation techniques tend to over-smooth the estimated space and still are unable to justify the complicated continuity in the topographical data. Machine learning algorithms are widely being used to extract patterns and spatial extent in geographic data. To estimate a DEM from ICESat-2 LiDAR point data, machine learning regression algorithms are implemented in this study. The present study has been performed for a plain region of Ghaziabad, Uttar Pradesh, India. Studies have shown that Cartosat-1 DEM V3 R1 product provides an accuracy of the order of 2m in predominantly plain regions, hence taken for this region. Current work focuses on comparing various regression-based machine-learning techniques to interpolate DEM from ICESat-2 data The RMSE of the interpolated DEM resulted from the Gradient Boosting Regressor, Random Forest Regressor, Decision Tree Regressor, and Multi-Layer Perceptron Regressor was 7.13m, 7.01m, 7.15m, and 3.76m, respectively when evaluated against the TANDEM-X DEM of the same region. The MLP Regressor is found to perform the best among the four algorithms tested.

The stick-free flight stability is an old-fashioned and non-progressive issue; nevertheless, it is still existent, and of significant importance to the design of aircraft whose control system is reversible. The problem’s existence necessitates a deep assessment of stick-free flight stability throughout the aircraft design. Up to now, this problem has been addressed using either analytical approaches, which are only related to the static stability evaluation, or performing flight tests. In this study, the problem is handled in its entirety, from static and dynamic flight stability assessment to design criteria with a comprehensive perspective. Moreover, it is also exhibited that contrary to what has been generally proposed in the literature, limiting the problem of stick-free flight stability through static stability assessment is far from the main challenge. As a brief scope, the derivation of the control surface dynamics, a stick-free trim algorithm, and assessment rationale of the stick-free static and dynamic flight stability using a simulation approach are proposed. As a consequence, the aim is to set a broad understanding for designers related to this phenomenon and add adjunct design criteria in the design optimization process by approaching it in terms of modeling, simulation, and flight test perspective.

Recently, there has been increasing attention toward inhaled nanoparticles (NPs) to develop in-halation therapies for diseases associated with the pulmonary system and investigate the toxic ef-fects of hazardous environmental particles on human lung health. Taking advantage of microfluidic technology for cell culture applications, lung-on-a-chip devices with great potential in replicating the lung air-blood barrier (ABB) have opened new research insights in preclinical pathology and therapeutic studies associated with aerosol NPs. Surprisingly, the air interface in such devices, which makes them tremendously unique among the other common liquid-based cellular mi-crosystems and enables exposure of cultivated cells to the drug/toxic aerosols, has been largely disregarded. Accordingly, there exists a significant research gap in the comprehensive under-standing of the NPs’ dynamics in the lung-on-a-chip devices, which is momentous to control the injection of aerosols to the target area and attain a desired physiochemical efficacy. To address this research gap, a numerical parametric study is presented to provide a deep insight into the dynamic behavior of the airborne NPs in a gas-liquid dual-channel lung-on-a-chip device with a porous membrane separating the channels. A finite element multi-physics model is developed to enable a particle tracing investigation simultaneously in both air and medium phases to replicate the in vivo conditions avoiding laborious and costly experimental trials. The results include the impact of fluid flow as well as geometrical properties on the distribution, deposition, and translocation of the NPs with diameters ranging from 10 nm to 900 nm in the lung-on-a-chip. The obtained results strongly suggest the aerosol injection of NPs instead of the aqueous solution for more efficient deposition on the substrate of the air channel and higher translocation to the media channel. The current study proposes to optimize the affecting parameters to control the injection and delivery of aerosol par-ticles into the lung-on-chip device depending on the objectives of biomedical investigations and provides optimized values for some specific cases. Therefore, this study can assist scientists and researchers in complementing their experimental investigation in future preclinical studies on pulmonary pathology associated with inhaled hazardous and toxic environmental particles, as well as therapeutic studies for developing inhalation drug delivery.

This paper focuses on the combination of the method of moments and the wire-grid approximation as an effective computational technique for modeling symmetrical antennas with low computational cost and quite accurate results. The criteria and conditions for the use of wire-grid surface approximation from various sources are presented together with new recommendations for modeling symmetrical antenna structures using the wire-grid approximation. These recommendations are used to calculate the characteristics of biconical and horn antennas at different frequencies. The results obtained using different grid and mesh settings are compared to those obtained analytically. Moreover, the results are compared to those obtained using the finite difference time domain numerical method, as well as the measured ones. All results are shown to be in a good agreement. The used recommendations for building a symmetrical wire-grid of those symmetrical antenna elements provided the most advantageous parameters of the grid and mesh settings and the wire radius, which are able to give a quite accurate results with low computational cost. Additionally, the known equal area rule was modified for a rectangular grid form. The obtained radiation patterns of a conductive plate using both the original rule and the modified one are compared with the electrodynamic analysis results. It is shown that the use of the modified rule is more accurate when using a rectangle grid form.

Finite element (FE) modeling is commonly used as a method to investigate the influence of medical devices, such as implants and screws and their effects on the biomechanical behavior of the spine. Another simulation method is a multi-body simulation (MBS), where the model is composed of several non-deformable bodies. MBS solvers generally require a very short computing time for dynamic tasks compared to an FE analysis. Considering this computational advantage, in this study, we examine whether parameters whose values are not known a priory can be determined with sufficient accuracy using MBS model. Therefore, we propose a Many-at-a-time sensitivity analysis method that allows approximating these a priory unknown parameters without requiring long simulation times. This method enables a high degree of MBS model optimization to be achieved in an iterative process. The sensitivity analysis method is applied to a simplified screw-vertebra model, consisting of an anterior anchor implant screw and vertebral body of C4. An experiment described in the literature is used as a basis for developing and assessing the potential of the method for sensitivity analysis and to validate the models action. The optimal model parameters for the MBS model were determined to be c=823224N/m for stiffness and d=488Ns/m for damping. The presented method of parameter identification can be used in studies including more complex MBS spine models or to set initial parameter values that are not available as initial values for FE models.

Damage in concrete structures initiates as the growth of diffuse microcracks that is followed by damage localisation and eventually leads to structural failure. Weak changes such as diffuse microcracking processes are failure precursors. Identification and characterisation of these failure precursors at an early stage of concrete degradation and application of suitable precautionary measures will considerably reduce the costs of repair and maintenance. To this end, a reduced order multiscale model for simulating microcracking-induced damage in concrete at the mesoscale levelis proposed. The model simulates the propagation of microcracks in concrete using a two-scale computational methodology. First, a realistic concrete specimen that explicitly resolves the coarse aggregates in a mortar matrix was generated at the mesoscale. Microcrack growth in the mortar matrix is modelled using a synthesis of continuum micromechanics and fracture mechanics. Model order reduction of the two-scale model is achieved using clustering technique. Model predictions are calibrated and validated using uniaxial compression tests performed in the laboratory.

Ocean surface waves have been utilized as fundamental information in various fields of oceanic research. In this paper, we suggest a simulation and modelling technique for generating an ocean surface wave using an inverse Fast Fourier Transform (iFFT), and we subsequently verify the wave’s accuracy. The conventional method, linear superposition, requires recursive calculation because of the double summation and the time variable; to circumvent this issue, the new algorithm is presented. The Joint North Sea Wave Project (JONSWAP) spectrum is utilized for the ocean surface wave simulation example, and the parameters are the significant wave height (HS) and the zero-crossing wave period (TZ). A coordinate transform for the wavenumber domain was used to apply the inverse FFT algorithm. To verify the accuracy of the simulation result, the relative error between the input condition and the analysis result was calculated. The result for TZ is below 4% relative error, and the maximum relative error for HS is 7%. To avoid the Nyquist frequency for wave-field analysis and simulation, the minimum grid size was calculated by twice applying the maximum wavenumber.

The matrix converter converts the input line voltage into a variable voltage with an unrestricted output frequency without using an intermediate circuit, dc link circuit. A pure sine in and pure sine out is the unique feature of the matrix converter. This research paper also analyzes the basic operating principle and the simulation modeling of the direct matrix converter, which is controlled by the Space Vector Pulse Width Modulation technique by using the software which is known as MATLAB/Simulink. The most desirable features in the power frequency changes can be fulfilled by using the matrix converters, and this is the reason for the tremendous interest in the topology. Since the power electronic circuits which is known as the motor drives are used to operate the AC motors at the frequencies other than that of the supply.

In this note, I analyze the data generated by M. Fodje's (2013) simulation programs "epr-simple" and "epr-clocked". They were written in Python and published on Github. Inspection of the program descriptions shows that they make use of the detection-loophole and the coincidence-loophole respectively. I evaluate them with appropriate modified Bell-CHSH type inequalities: the Larsson detection-loophole adjusted CHSH, and the Larsson-Gill coincidence-loophole adjusted CHSH (NB: its correctness is conjecture, we do not have proof). The experimental efficiencies turn out to be approximately eta = 81% (close to optimal) and gamma = 55% (far from optimal). The observed values of CHSH are, as they should be, within the appropriately adjusted bounds. Fodjes' detection-loophole model turns out to be very, very close to Pearle's famous 1970 model, so the efficiency is close to optimal. The model has the same defect as Pearle's: the joint detection rates exhibit signaling. Fodje's coincidence-loophole model is actually a clever modification of his detection-loophole model. Because of this, however, it cannot lead to optimal efficiency.

Infection of hosts by morbilliviruses is facilitated by the interaction between viral hemagglutinin (H-protein) and the signaling lymphocytic activation molecule (SLAM). Recently, the functional importance of the N-terminal region of human SLAM as a measles virus receptor was demonstrated. However, the functional roles of this region in the infection process by other morbilliviruses and host range determination remain unknown partly because this region is highly flexible, which has hampered accurate structure determination of this region by X-ray crystallography. In this study, we analyzed the interaction between the H-protein from canine distemper virus (CDV-H) and SLAMs by a computational chemistry approach. Molecular dynamics simulations and fragment molecular orbital analysis demonstrated that the unique His28 in the N-terminal region of SLAM from Macaca is a key determinant that enables formation of a stable interaction with CDV-H, providing a basis for CDV infection in Macaca. The computational chemistry approach presented should enable determination of molecular interactions involving regions of proteins that are difficult to predict from crystal structures because of their high flexibility.

A humidity-sensitive demand-controlled ventilation system is known for many years. It has been developed and commonly applied in regions with an oceanic climate. Some attempts were made to introduce this solution in Poland in a much severe continental climate. The article evaluates this system's performance and energy consumption applied in an 8-floor multi-unit residential building, virtual reference building described by the National Energy Conservation Agency NAPE, Poland. The simulations using the computer program CONTAM were performed for the whole hating season for Warsaw's climate. Besides passive stack ventilation that worked as a reference, two versions of humidity-sensitive demand-controlled ventilation were checked. The difference between them lies in applying the additional roof fans that convert the system to hybrid. The study confirmed that the application of demand-controlled ventilation in multi-unit residential buildings in a continental climate with warm summer (Dfb) leads to significant energy savings. However, the efforts to ensure acceptable indoor air quality require hybrid ventilation, which reduces the energy benefits. It is especially visible when primary energy use is analyzed.

At present, the world is now passing a very far different time than normal situation due to the COVID-19 pandemic crisis. The global life-style and human civilization is currently progressing with down-stream that affecting almost every sectors necessary for human civilizations except the current environmental situation. To control the COVID-19 spreading, most of the countries are following lockdown process that reduces human mobility, thus reducing the CO2 emission to the environment. Though the COVID-19 pandemic is a blessing for the present environment, however, the post-COVID world will face a massive thrust of energy and only conventional energy resources may not be enough to mitigate the energy demands. Solar power generation technology mainly the photovoltaic (PV) systems and their advancement can be the leading possibilities to minimize the gap between the power demand and generation. It is now time to think how we can improve the PV power generation in future and the post-COVID world. In this encyclopaedia communication, we report on Nano-technological approach to improve the conversion efficiency of GaAs solar cells. We have designed and optimized several types of nano-structured assemblies that can be implemented to reduce the front surface incident light reflection losses thus can assist to improve the conversion efficiency of GaAs solar cells.

Highly-resolved data on water balance components (like runoff or storage) are crucial to improve water management, e.g., in drought or flood situations. Because regional observations of these components cannot be acquired adequately, applying water balance models is a feasible solution. We developed an innovative approach using the physically-based lumped-parameter water balance model BROOK90 (R version) integrated into a sensor network platform to derive daily water budget components for catchments in the Free State of Saxony. The model is not calibrated but rather uses available information on soil, land use and precipitation only. We applied the hydro response units (HRUs) approach for 6175 small and medium-sized catchments. For the evaluation, model output was cross-evaluated in ten selected head catchments in a low mountain range in Saxony. The mean values of Kling-Gupta efficiency (KGE) for the period 2005-2019 to these catchments are 0.63 and 0.75 for daily and monthly discharge simulations, respectively. The simulated evapotranspiration and soil wetness are in good agreement with the SMAP_L4_GPH product in April 2015-2018. The study can be enhanced by using different data platforms as well as available information on study sites.

Based on electromagnetic heat transfer and metal phase transformation co-simulations, we modeled an AISI 1045 specimen under high-frequency heat treatment. Hardening zone predictions were confirmed through cooling and metal phase transformation simulations after obtaining the results from electromagnetic heat transfer simulations. The cooling process was modeled by applying the cooling coefficient of the cooling water in the same way as the actual heat-treatment process. To obtain the current flowing through the coil during high-frequency induction heating, the voltage was measured and applied using the resistance–inductance–capacitance circuit calculation method. Experimental and simulated results of the heating temperature and curing depth of an AISI 1045 specimen with a carbon content of 0.45% were compared; the comparison indicated good agreement between the two. Using the simulation results, we established a method for obtaining the current flowing through the induction coil for predicting the extent and depth of the hardening zone during high-frequency induction heat treatment.

Tornadoes remain an active subject of observational and numerical research due to the damage and fatalities they cause worldwide as well as poor understanding of their behavior, such as what processes result in their genesis and what determines their longevity and morphology. A numerical model executed on a supercomputer run at high resolution can serve as a powerful tool for exploring the rapidly evolving tornado-scale features within a simulated storm, but saving large amounts data for meaningful analysis can result in unacceptably slow model performance, an unwieldy amount of saved data, and saved data spread across millions of files. In this paper, a system for efficiently saving and managing hundreds of terabytes of compressed model output is described in order to support a supercomputer simulation of a tornadic supercell thunderstorm. The challenges of managing a simulation spanning over a quarter trillion grid volumes across the Blue Waters supercomputer are also described. The simulated supercell produces a long-track EF5 tornado, and the near-tornado environment is described during tornadogenesis, where single upward-growing vortex undergoes several vortex mergers before transitioning into a multiple vortex tornado.

First of all the paper presents a solid solution of piezoelectric ceramic that was synthesized according to the general formula Pb(1-x)Srx(Ti0.48Zr0.52)(1-y)NbyO3 with x = 0.05 and y = 0.02, using wet ceramic processing technology and using an oxide mix as prime material. The effects of dopants (Sr2+ and Nb5+) on phase constitution, on microstructure and on the dielectric and piezoelectric properties were determinate. The Zr/Ti ratio was chosen near the morphotropic phase boundary of the PZT system in studied composition. The XRD data revealed that the PZT doped composition had tetragonal perovskite structure. Secondly the paper presents the design of the novel piezo-motor based on a surface wave which translates the linear extension of different piezoelectric segments of a piezoelectric cylinder into a rotational bending movement. This rotational bending of the piezoelectric cylinder is then transformed into a continuous rotation of the rotor through a calculated contact. The design of the motor takes advantage of the high piezoelectric constants of the developed material in an optimal way in order to increase the energetic efficiency. A brief mathematical model of electromechanical answer of piezoelectric materials is presented as it was used in the modeling of the material during the numerical simulations.

A numerical approach for generating a limited number of water demand scenarios and estimating their occurrence probabilities in a Water Distribution Network (WDN) is proposed. This approach makes use of the demand scaling laws in order to consider the natural variability and spatial correlation of nodal consumptions. The scaling laws are employed to determine the statistics of nodal consumption as a function of the number of users and the main statistical features of the unitary user's demand. Besides, consumption at each node is considered to follow a Gamma probability distribution. A high number of groups of cross-correlated demands, i.e., scenarios, for the entire network were generated using Latin Hypercube Sampling (LHS) and the numerical procedure proposed by Iman and Conover. The Kantorovich distance is used to reduce the number of scenarios and estimate their corresponding probabilities, while keeping the statistical information on nodal consumptions. By hydraulic simulation, the whole number of generated demand scenarios was used to obtain a corresponding number of pressure scenarios on which the same reduction procedure was applied. The probabilities of the reduced scenarios of pressure were compared with the corresponding probabilities of demand.

Confidence interval of is an interval corresponding to a specified confidence and including the true value. It can be used to describe the precision of a statistical quantity and quantify its uncertainty. Although the principle of maximum entropy (POME) has been used for a variety of applications in hydrology, the confidence intervals of the POME quantile estimators have not been available. In this study, the calculation formulas of asymptotic variances and confidence intervals of quantiles based on POME for Gamma, Pearson type 3 (P3) and Extreme value type 1 (EV1) distributions were derived. Monte Carlo Simulation experiments were performed to evaluate the performance of derived formulas for finite samples. Using four data sets for annual precipitation at the Weihe River basin in China, the derived formulas were applied for calculating the variances and confidence intervals of precipitation quantiles for different return periods and the results were compared with those of the methods of moments (MOM) and of maximum likelihood (ML) method. It is shown that POME yields the smallest standard errors and the narrowest confidence intervals of quantile estimators among the three methods, and can reduce the uncertainty of quantile estimators