Electric propulsion systems have emerged as a disruptive technological approach towards achieving sustainable and climate-neutral aviation. To expand the operational envelope of such propulsion units in terms of altitude and velocity, an enclosing duct and counter-rotating rotors to enhance efficiency can be utilized. In this study, an iterative CFD-based design tool developed for these novel propulsion systems is utilized to design a reference engine. A substantial reduction in discrepancies between initial specifications, subsequent CFD simulations, and experimental investigations compared to conventional design tools relying on empirical formulations can be demonstrated using a classic rotor-stator configuration. This allows the CFD-based tool to be validated for designing scalable counter-rotating fan engines. Furthermore, to facilitate the transferability of research on such propulsion systems, a validated manufacturing process for composite blades is presented. This effort aims to make state-of-the-art technology accessible to smaller research projects, promoting the widespread adoption of electric propulsion technology in the aviation sector.

In this manuscript, an automated framework dedicated to design space exploration and design optimization studies is presented. The framework integrates a set of numerical simulation, computer-aided design, numerical optimization, and data analytics tools using scripting capabilities. The tools used are open-source and freeware, and can be deployed on any platform. The main feature of the proposed methodology is the use of a cloud-based parametrical computer-aided design application, which allows the user to change any parametric variable defined in the solid model. We demonstrate the capabilities and flexibility of the framework using computational fluid dynamics applications; however, the same workflow can be used with any numerical simulation tool (e.g., a structural solver or a spread-sheet) that is able to interact via a command line interface or using scripting languages. We conduct design space exploration and design optimization studies using quantitative and qualitative metrics, and to reduce the high computing times and computational resources intrinsic to these kinds of studies, concurrent simulations and surrogate-based optimization are used.

In this work the efficiency of a new μ-mixer design is investigated. As in this type of devices the Reynolds number is low, mixing is diffusion dominated and it can be enhanced by creating secondary flows. In this study we propose the introduction of helical inserts into a straight tube to create swirling flow. The influence of the insert’s geometrical parameters (pitch and length of the propeller blades) and of the Reynolds number on the mixing efficiency and on the pressure drop are numerically investigated. The mixing efficiency of the device is assessed by calculating a number, i.e. the Index of Mixing Efficiency that quantifies the uniformity of concentration at the outlet of the device. The influence of the design parameters on the mixing efficiency is assessed by performing a series of “computational” experiments, in which the values of the parameter are selected using DOE methodology. Finally using the numerical data, appropriate design equations are formulated, which, for given values ​​of the design parameters, can estimate with reasonable accuracy both the mixing efficiency and the pressure drop of the proposed mixing device.

This study presents a comprehensive approach to trim optimization as a energy efficiency improvement measure, focusing on reducing fuel consumption for one RO-RO car carrier. Utilizing Computational Fluid Dynamics (CFD) software, the methodology incorporates Artificial Neural Networks (ANN) to develop a mathematical model for estimating key parameters such as brake power, daily fuel oil consumption (DFOC) and propeller speed. The complex ANN model is then integrated into a user-friendly software tool for practical engineering applications. The research outlines a seven-phase trim optimization process and discusses its potential extension to other types of ships, aiming to establish a universal methodology for CFD-based engineering analyses. Based on trim optimization results, the biggest DFOC goes up to 10.5% at 7.5m draft and up to 8% for higher drafts. Generally, in every considered case, it is recommended to sail with the trim towards the bow, meaning that the ship’s weight (ballast) should be adjusted to tilt slightly forward.

This study introduces numerical advancements in an alternative design for the SPS Beam Dump Facility (BDF) at CERN. The design envisions a high-power operation target made of flowing liquid lead. The BDF is a proposed versatile facility at CERN, intended for both beam-dump-like and fixed-target experiments. The target behavior is assessed, assuming a proton beam with a momentum of 400 GeV/c, a pulse frequency of 1/7.2 Hz, and an average beam power of 355 kW. An evaluation is conducted using various Computational Fluid Dynamics (CFD) codes to analyze the behavior of liquid lead and to predict the thermal stress on the target vessel induced by the pulsed heat source generated by the charged particle beam. The comparison increases the reliability of the results, investigating the dependencies on the CFD modeling approach. The beam is modeled as a volumetric heat source with data coming from beam-lead interaction simulations provided by CERN and obtained with the Monte-Carlo code FLUKA. The velocity field and stress profiles are utilized to enhance the design of the lead loop and verify its viability and safety when operated with a liquid metal target.

Greenwater (splashing of water on the deck) loading is a classical problem faced by the designer of ship-shaped vessels, which becomes even worst when the vessel operates at harsh weather conditions for an extended period. Installation of breakwaters on the deck can play a crucial role in minimizing this impact. However, research on the design and optimization of the breakwater is still at its infancy, and this study aims at shedding further light on this area by proposing and analyzing the effectiveness of three breakwater designs on a fixed box-shaped vessel. Commercial CFD software is used for this investigation. However, the design model (without breakwater) was validated at first against experimental results of green water splashing, before performing the actual simulations with proposed breakwater design. A vertical plate is used as the deck structure, and greenwater pressure at several locations on that plate is measured to compare the effectiveness of various breakwater designs. Overall, breakwaters with openings (perforations, grillages etc.) found to be more effective in minimizing the pressure generated by the greenwater. Nevertheless, there are significant rooms for improvement on breakwater designs, and some topics for further research are also suggested in this regard.

Many physiotherapy treatments begin with a diagnosis process. The patient describes symptoms, upon which the physiotherapist decides which tests to perform until a final diagnosis is reached. The relationships between the anatomical components are too complex to keep in mind and the possible actions are abundant. A trainee physiotherapist with little experience naively applies multiple tests to reach the root cause of the symptoms, which is a highly inefficient process. This work proposes to assist students in this challenge by presenting three main contributions: (1) A compilation of the neuromuscular system as components of a system in a Model-Based Diagnosis problem; (2) The PhysIt is an AI-based tool that enables an interactive visualization and diagnosis to assist trainee physiotherapists; and (3) An empirical evaluation that comprehends performance analysis and a user study. The performance analysis is based on evaluation of simulated cases and common scenarios taken from anatomy exams. The user study evaluates the efficacy of the system to assist students in the beginning of the clinical studies. The results show that our system significantly decreases the number of candidate diagnoses, without discarding the correct diagnosis, and that students in their clinical studies find PhysIt helpful in the diagnosis process.

In our previous works we have proposed design equations that can predict with reasonable accuracy the transition point from homogeneous to heterogeneous regime as well as the gas holdup and the mean Sauter diameter at the homogeneous regime. The validity of the proposed correlations was checked with data obtained using different geometrical configurations and several Newtonian and non-Newtonian liquids as well as the addition of surfactants. However, in all the experiments the gas phase was atmospheric air. This work investigates the effect of gas phase properties by conducting experiments employing various gases (i.e., air, CO₂, He) that cover a wide range of physical property values. Experiments revealed that only the use of low-density gas (He) has a measurable effect on bubble column performance. More precisely, when the low-density gas (He) is employed, the transition point shifts to higher gas flow rates and the gas holdup decreases, a fact attributed to the lower momentum force exerted by the gas. In view of the new data, the proposed correlations have been slightly modified to include the effect of gas phase properties and it is found that they can predict the aforementioned quantities with an accuracy of ±15%. It has been also proved that CFD simulations are an accurate means for assessing the flow characteristics inside a bubble column.

The application of numerical simulation methods for studying vertical-axis wind turbines offers significant advantages over conventional horizontal-axis wind turbines regarding wind energy utilisation, start-up wind speed, and environmental impact. This paper aims to investigate and establish the aerodynamic design performance of asymmetrical (NACA 4412) airfoils used in the application of vertical-axis wind turbines. The computational fluid dynamics (CFD) simulation uses Ansys software based on the Reynolds Averaged Navier-Stokes (RANS) equations. The aerodynamic parameters (pressure and velocity) are evaluated and compared within a range of angles of attack (AoA) 5-12 degrees at a fixed Reynolds number, as is a usual condition for wind turbine application. The lift coefficient (Cl), drag coefficient (Cd), and Cl/Cd ratio are obtained within the range AoA for the asymmetrical airfoils, and the performances have been predicted using the potential flow panel and CFD methods. This study suggests that while Xfoil may not be as precise as computational fluid dynamics (CFD), its predicted lift and drag coefficients generally align with experimental results. These help us to understand the best air-foil selection in a wind turbine application and predict its optimum AoA at which it performs at its best.

new subsonic blower wind tunnel design has been studied both numerically and experimentally, it is also referred to as “blower” wind tunnel. This paper, is initially aimed to address each sequential stage of the wind tunnel design process. Rather than applying the standard method of modelling solely the flow in the test section, a large-scale CFD model of the whole wind tunnel was employed. The loss of every constituent element was calculated and then all the losses are added up to determine the power needed for the wind tunnel operation which is used as “intake fan” boundary conditions in the CFD model. Then, flow uniformity and turbulent intensity measurements in an empty test section using a Pitot-static tube and hot wire anemometer (HWA) were introduced to validate the CFD results. The results showed that flow quality was significantly affected by boundary layer controllers (honeycomb and mesh screens) in the settling chamber and wide-angle diffuser. Investigations were also conducted to evaluate the flow deficit in the wake area behind a convex hump model using HWA. This was additional experimental tests carried out to validate the suitability of the wind tunnel flow aerodynamic research.

Unmanned Aerial Vehicles (UAVs) have gained significant attention in recent times due to their suitability to a wide variety of civil, military and societal missions. Development of an unmanned amphibious vehicle integrating the features of a multi-rotor UAV and a hovercraft is focus of the present study. Components and subsystems of the amphibious vehicle are developed with due consideration on aerodynamic, structural and environmental aspects. Finite element analysis (FEA) on static thrust conditions and skirt pressure are performed to evaluate the strength of structure. For diverse wind conditions and angles of attack (AOA), computational fluid dynamic (CFD) analysis is carried out to assess the effect of drag and suitable design modification is suggested. A prototype is built with a 7 kg payload capacity and successfully tested for stable operations in flight and water-borne modes. Internet of Things (IoT) based water quality measurement is performed in a typical lake and water quality is measured using pH, dissolved oxygen (DO), turbidity and electrical conductivity (EC) sensors. The developed vehicle is expected to meet functional requirements of disaster missions catering to the water quality monitoring of large water bodies.

This paper evaluates an architectural design using an Energy Consumption consideration of Natural Ventilation in a hot dry climate (Khartoum State), at dwellings design applied. Method was used analysis of Autodesk IEVS software natural ventilation and energy consumption simulation. It resulted that to cooling, by natural ventilation in dwelling design used to get indoor temperature at the comfortable level during the summer. The Best-Case Situation of natural ventilation with consider of energy saving Based on the CFD simulation analysis, the performance of internal air velocity is approximately 0.7m/s. The wind velocity starts to slow down towards the rear of the apartment spaces. Approximately 95% of the internal areas have average air velocity between 0.43 m/s to 0.9 m/s. Internal Air flow pattern single floor house plan at Khartoum (Alazhari City); showing the internal air velocity of 0.7m/s near the window opening positions with the wind directions in the details and pressure of the air as worst-case situation, with velocity and temperature of the air with average 22o as a best-case situation. during a year. Architectural design process in the urban area of Alazhari City for dwelling towards to saving energy was applied and determined into an urban planning neighbourhood at Khartoum.

Thermostatically controlled loads have great potential to make a significant contribution to improving energy efficiency in the building sector, which is responsible for 40% of greenhouse gas emissions in the EU. This, in addition to the environmental damage, represents a huge expense in the electricity bill. Therefore, it is very important to train engineers on how to design energy management systems for TCLs. With this goal in mind, it would be very useful to have a simulation-based educational tool (SBET) to understand thermostatically controlled loads, their characteristics and possibilities in energy efficiency. In addition, it would be very useful if this tool could be introduced in engineering curricula to help students to be better trained and enter the labor market with more opportunities. Based on the shortcomings detected, this work develops a SBET specifically designed to teach about TCLs (SBET-TCLs), both about their intrinsic characteristics and their better management. To verify the developed SBET-TCL, it has been tested in a real scenario: A survey was carried out among the students of the subject 'Alternative Energy Sources' of the degrees of Industrial Engineering. The results show that the use of SBET-TCL has very positive effects on the learning process.

This paper deals with the characteristics of the cyclone separator from the Lagrangian perspective to design important dependent variables, develops a neural network model for predicting the separation performance parameter, and compares the predictive performance between the traditional surrogate model and the neural network model. In order to design the important parameters of the cyclone separator based on the particle separation theory, the force acting until the particles are separated was calculated using the Lagrangian-based CFD methodology. As a result, it was proved that the centrifugal force and drag acting on the critical diameter having a separation efficiency of 50% were similar, and the particle separation phenomenon in the cyclone occurred from the critical diameter, and it was set as an important dependent variable. For developing a critical diameter prediction model based on machine learning and multiple regression methods, Unsteady-RANS analyzes according to shape dimensions were performed. The input design variables for predicting the critical diameter were selected as four geometry parameters that affect the turbulent flow inside the cyclone. As a result of comparing the model prediction performances, the ML model showed the 32.5 % of improvement rate of R2 compared to the traditional MLR considering the nonlinear relationship between the cyclone design variable and the critical diameter. The proposed techniques have proven to be fast and practical tools for cyclone design.

The Galleon was considered a masterpiece of shipbuilding in the sixteenth century, but from a modern point of view, the shape of her hull looks archaic and primitive. However, how accurate is this perception? Is the hull form of Galleon primitive? What were the reasons for its unique design features? This article investigates these questions by directly analysing the hull’s features from the point of view of modern ship’s theory, as well as from a historical perspective. A careful evaluation of specific design criteria of a typical Galleon, together with analysing a 3D model of its hull on modern software, with further insight for the seakeeping behaviour of Galleon with a comparison to more modern full-rigged ship (Barque of 19 CE), showed that these features were not random, but instead had a good rationale behind it, and served specific and carefully decided functions, required at the time.

This article discusses the use of game design as a method for interdisciplinary project-based teaching in secondary school education to convey informatics and society topics. There is a lot of knowledge about learning games but little background on project-based teaching using game design as a method. We present the results of an analysis of student-created games and an evaluation of a student-authored database on learning contents found in commercial off-the-shelf games. We further contextualise these findings using a group discussion with teachers. Results underline the effectiveness of project-based teaching to raise awareness for informatics and society topics. We further outline informatics and society topics that are particularly interesting to students, genre preferences and potentially engaging game mechanics stemming from our analyses.

Timber-concrete composite (TCC) systems join the positive aspects of engineered wood products (good seismic behaviour, low thermal conductivity, environmental sustainability, good behaviour under fire if appropriately designed) with those of concrete (high thermal inertia, durability, excellent fire resistance). TCC facades are typically composed by an internal insulated timber-frame wall and an external concrete slab, separated by a ventilated air cavity. However, there is very limited knowledge concerning the performance of TCC facades, especially for what concerns their thermal behaviour. The present paper deals with the development and optimisation of a 2D CFD model for the analysis of TCC ventilated façades thermal behaviour. The model is calibrated and validated against the experimental data collected during the annual monitoring of a real TCC ventilated envelope in the north of Italy. Also, a new solver algorithm is developed to significantly speed up the simulation. The final model can be used for the time-efficient analysis and optimisation of the thermal performance of TCC ventilated facades, as well as other ventilated facades with external massive cladding, avoiding the expensive and time-consuming construction of mock-ups, or the use of comparably slow (conventional) CFD solvers that are less suitable for optimization studies.

The recent covid crisis has proven important lessons for academia and industry regarding digital reorganization. Among fascinating lessons from these times is the huge potential of data analytics and artificial intelligence. The crisis exponentially accelerated the adoption of analytics and artificial intelligence, and this momentum is predicted to continue into the 2020s and over. Moreover, drug development is a costly and time-consuming business, and only a minority of approved drugs return the revenue that exceeds the research and development costs. As a result, there is a huge drive to make drug discovery cheaper and faster. With modern algorithms and hardware, it is not too surprising that the new technologies of artificial intelligence and other computational simulation tools can help drug developers. In only two years of covid research, many novel molecules have been designed/identified using artificial intelligence methods with astonishing results in terms of time and effectiveness. This paper will review the most significant research on artificial intelligence in the de novo drug design for COVID-19 pharmaceutical research.

This paper presents the results of simulations of particle-laden air-solid jet flow in long straight tubes using CFD-DEM, along with an analysis of coarse-graining. Although previous studies have used CFD-DEM for similar flows, these have typically been in a dilute flow regime where uncoupled simulations are accurate. However, fully coupled simulations can introduce issues, necessitating validation studies to ensure that all coupling parameters are effectively used and that the physics is accurately represented. This paper validates the simulations against two different experimental studies, with fluid Reynolds numbers between 10,000 and 40,000 and Stokes numbers between 5.6 and 50. Interestingly, the profiles of mean particle velocity exhibit fewer discrepancies as the Stokes number increases but more discrepancies for the root mean square velocity compared to the experiments. Particle number flux is consistent with the experiments after the nozzle exit. Coarse-graining is also applied to the same simulations, achieving relatively accurate results. However, as expected, scaling of contact collision frequencies, forces, and stresses cannot be achieved, meaning that coarse-graining may be useful for comparing designs or operating parameters on an industrial scale but falls short when measuring the total energy dissipation of one experiment.

This paper presents an analysis of linear viscous stress Favre-Averaged turbulence models for computational fluid dynamics (CFD) of fully turbulent round jets with a long straight tube geometry in the near field. Although similar work has been performed in the past with very relevant solutions, considerations were not given for the issues and limitations involved with coupling between an Eulerian and Lagrangian phase, such as in fully two-way coupled CFD-DEM. These issues include limitations on solution domain, mesh cell size, wall modelling, and momentum coupling between the two phases in relation to the particles size. Therefore, within these considerations, solutions are provided to the Navier-Stokes equations with various turbulence models using a three-dimensional wedge long straight tube geometry for fully developed turbulence flow. Simulations are performed with a Reynolds number of 15000 and 50000 using two different tube diameters. It is found that a modified k−ε turbulence model achieved the most agreeable results for both the velocity and turbulent flow fields between these two flow regimes, while a modified k−ω SST/BSL also provided suitable results.

The ubiquity of mobile sensors (such as GPS, accelerometer and gyroscope) together with increasing computational power have enabled an easier access to contextual information, which proved its value in next generation of the recommender applications. The importance of contextual information has been recognized by researchers in many disciplines, such as ubiquitous and mobile computing, to filter the query results and provide recommendations based on different user status. A context-aware recommendation system (CoARS) provides a personalized service to each individual user, driven by his or her particular needs and interests at any location and anytime. Therefore, a contextual recommendation system changes in real time as a user’s circumstances changes. CoARS is one of the major applications that has been refined over the years due to the evolving geospatial techniques and big data management practices. In this paper, a CoARS is designed and implemented to combine the context information from smartphones’ sensors and user preferences to improve efficiency and usability of the recommendation. The proposed approach combines user’s context information (such as location, time, and transportation mode), personalized preferences (using individuals past behavior), and item-based recommendations (such as item’s ranking and type) to personally filter the item list. The context-aware methodology is based on preprocessing and filtering of raw data, context extraction and context reasoning. This study examined the application of such a system in recommending a suitable restaurant using both web-based and android platforms. The implemented system uses CoARS techniques to provide beneficial and accurate recommendations to the users. The capabilities of the system is evaluated successfully with recommendation experiment and usability test.

Fragment-based drug discovery (FBDD) has become a major strategy to derive novel lead candidates for various therapeutic targets, as it promises efficient exploration of chemical space by employing fragment-sized (MW < 300) compounds. One of the first challenges in implementing a FBDD approach is the design of a fragment library, and more specifically, the choice of its size and individual members. A diverse set of fragments is required to maximise the chances of discovering novel hit compounds. However, the exact diversity of a certain collection of fragments remains underdefined, which hinders direct comparisons among different selections of fragments. Based on structural fingerprints, we herein introduced quantitative metrics for the structural diversity of fragment libraries. Structures of commercially available fragments were retrieved from the ZINC database, from which libraries with sizes ranging from 100 to 100,000 compounds were selected. The selected libraries were evaluated and compared quantitatively, resulting in interesting size-diversity relationships. Our results demonstrated that while library size does matter for its diversity, there exists an optimal size for structural diversity. It is also suggested that such quantitative measures can guide the design of diverse fragment libraries under different circumstances.

The current paradigm shift in orthodontic treatment planning is based on facially driven diagnostics. This requires an affordable, convenient, and non-invasive solution for face scanning. Therefore, utilization of smartphones` TrueDepth sensors is very tempting. TrueDepth refers to front-facing cameras with a dot projector in Apple devices that provide real-time depth data in addition to visual information. There are several applications that tout themselves as accurate solutions for 3D scanning of the face in dentistry. Their clinical accuracy has been uncertain. This study focuses on evaluating the accuracy of the Bellus3D Dental Pro app, which uses Apple's TrueDepth sensor. The app reconstructs a virtual, high-resolution version of the face, which is available for download as a 3D object. In this paper, sixty TrueDepth scans of the face were compared to sixty corresponding facial surfaces segmented from CBCT. Difference maps were created for each pair and evaluated in specific facial regions. The results confirmed statistically significant differences in some facial regions in amplitudes greater than 3 mm, suggesting that current technology has limited applicability for clinical use. The clinical utilization of facial scanning for orthodontic evaluation, which does not require accuracy in the lip region below 3 mm, can be considered.

In this paper we present the numerical and experimental results of a design optimization of electromagnetic cantilevers. In particular, a cost-effective technique of evolutionary computing enabling the simultaneous minimization of multiple criteria is applied. A set of optimal solutions are subsequently fabricated and measured. The designed structures are fabricated in arrays, which makes the comparison and measurements of the sensor properties reliable. The microfabrication process, based on the silicon on insulator (SOI) technology, is proposed in order to minimize parasitic phenomena and enable efficient electromagnetic actuation. Measurements on the fabricated prototypes assessed the proposed methodological approach.

Driven by environmental sustainability concerns, the integration of biobased components in curtain wall systems is gaining traction in both research and the construction market. This paper explores the development and validation of a bio-based façade system within the Basajaun H2020 project. The project aimed to demonstrate the feasibility of introducing environmentally friendly bio-based components into the mature curtain wall façade industry. The paper focuses on identifying technological solutions for replacing key components such as profiles, insulation, and the tightness system with bio-based and less environmental impact alternatives presenting the results achieved in the façade system design of the Basajaun project funded by European Union. These solutions aimed at creating a bio-composite-based curtain wall façade that adheres to current building envelope standards and normative; to implement diverse façade typologies for vision panels, opaque sections, and integrated windows; to engineer the prefabrication process for industrialization, enabling wider market replication and simplified transport and installation. The results demonstrate that the Basajaun façade successfully integrates selected components and meets the performance requirements set by regulations. However, questions remain regarding the workability of bio-based profiles as a commercially viable, ready-to-market solution that can replace traditional aluminum profiles in the curtain wall façade industry.

Vertical-axis wind turbines (VAWTs) are receiving more and more attention as they involve simple design, cope better with turbulence and are insensitive to wind direction which has a huge impact on the cost since the yaw mechanism is not needed. However, VAWTs still suffer from low conversion efficiency. As a results tremendous efforts are exerted to improve its efficiency which mainly focus on two methods regardless of whether the study is a CFD simulation or a field test or lab test experiment. An active approach which involves the modification of the rotor itself such as the blade design, angle, trailing and leading edges, inner blades, chord thickness, contra-rotating rotor, etc. While the second approach involves passive techniques where the flow is directed to optimally face the downwind rotor by mounting a guiding vane such as a diffuser or other shapes at the upwind position of the rotor. Among all techniques undertaken, the CRWT rotor technique seems to be the most effective with an output even comparable to that of Horizontal Axis Wind Turbines (HAWT), while the Savonius rotor received more attention compared to other designs of VAWTs. Apart from technological issues, it was also suggested that geographical issues such as proper site siting of the wind turbine rotor at a particular location where a uniform flow could be guaranteed is of paramount importance to ensure an effective conversion capacity of wind turbines.

Mixing is considered as a critical process parameter (CPP) during process development due to its significant influence on reaction selectivity and process safety. Nevertheless, mixing issues are difficult to identify and solve owing to their complexity and dependence on knowledge of kinetics and hydrodynamics. In this paper, we proposed an optimization methodology using Computational Fluid Dynamics (CFD) based compartmental modelling to improve mixing and reaction selectivity. More importantly, we have demonstrated that through the implementation of surrogate-based optimization, the proposed methodology can be used as a computationally non-intensive way for rapid process development of reaction unit operations. For illustration purpose, reaction selectivity of a process with Bourne competitive reaction network is discussed. Results demonstrate that we can improve reaction selectivity by dynamically controlling rates and locations of feeding in the reactor. The proposed methodology incorporates mechanistic understanding of the reaction kinetics together with an efficient optimization algorithm to determine the optimal process operation and thus can serve as a tool for quality-by-design (QbD) during product development stage.

Although traditional automotive development has mainly focused on functional safety, as the number of automotive hacking cases has increased due to the growing Internet connectivity of automotive control systems, security is also becoming more important. Accordingly, various international organizations are preparing cybersecurity regulations or standards to ensure security in automotive development by emphasizing the concept of security-by-design(i.e. security engineering) which emphasizes trustworthiness from the beginning of development. The problem, however, is that no specific methodology has been suggested. In this paper, we propose a specific security-by-design methodology for automotive development based on Secure System Development Life Cycle (secure SDLC) standards and evidence-based standards. Our methodology could be easily used in the actual field as it is more general and detailed than existing secure SDLC standards and research. Also, since it satisfies all requirements of United Nations Economic Commission for Europe (UNECE) regulation, automobile manufacturers could respond to the upcoming cybersecurity regulation with our methodology.

Drug design is used for different applications of bioinformatics tools analyze DNA, genome, and sequence target region of a small organic molecule in order to understand the molecules of disease. Bioinformatics tools are identified a newly wide research field and minimize future risks through web servers and data mining. Clinical sample test performed with the bioinformatics tools as the biomedical detective. A particular structure and configuration of protein obliging in Drug design concluded Bioinformatics. This review bioinformatics tools and webserver will discuss functions of small organic molecules according to clinical pharmacology.

OpenFOAM is a CFD software widely used in both industry and academia. The exaFOAM project aims at enhancing the HPC scalability of OpenFOAM, while identifying its current bottlenecks and proposing ways to overcome them. For the assessment of the software components and the code profiling during the code development, lightweight but significant benchmarks should be used. The answer was to develop microbenchmarks, with a small memory footprint and short runtime. The name microbenchmark does not mean that they have been prepared to be the smallest possible test cases, as they have been developed to fit in a compute node, which usually has dozens of compute cores. The microbenchmarks cover a broad band of applications: incompressible and compressible flow, combustion, viscoelastic flow and adjoint optimisation. All benchmarks are part of the OpenFOAM HPC Technical Committee repository and are fully accessible. The performance using HPC systems with Intel and AMD processors (x86_64 architecture) and Arm processors (aarch64 architecture) have been benchmarked. For the workloads in this study, the AMD processor seems particularly suited resulting in an overall shorter time-to-solution.

This study measured secondary students’ digital literacy using a digital game-based assessment system that was designed and developed based on the Evidence-Centered Game Design (ECGD) approach. A total of 188 secondary students constituted the valid samples in this study. Fine-grained behavioral data generated from students’ gameplay processes were collected and recorded with the assessment system. The Delphi method was used to extract feature variables related to digital literacy from the process data, and the Analytic Hierarchy Process (AHP) method was used to construct the measurement model. The assessment results of the ECGD-based assessment had a high correlation with standardized test scores, which have been shown to be reliable and valid in prior large-scale assessment studies.

With the continuous increase in ship size combined with the generally slower increase in the size of waterways, the need for the prediction of ship maneuvering in shallow waterways continues to attract attention from the international scientific community. Ship behavior in shallow water is relevant in seabed effects that result in changing the hydrodynamic forces acting on the ship. In this study, the maneuvering characteristics of container ship with four degrees of freedom in shallow water are analyzed. The Reynolds-averaged Navier Stokes approach in Ansys Fluent code is used to produce the maneuvering coefficients through the simulations of forward running, static drift, static heel, circular motion, the combined motions, and the pure roll motion of the Kriso container ship. The maneuvering characteristics of the ship are estimated for evaluating the ship behaviors in shallow water condition. The obtained results show that the roll has a significant decrease and the ship’s turning diameter has a significant increase when the ship operates in the shallow waterway. The prediction of maneuvering characteristics of the ship are in good agreement with those of free running model tests, indicating that the numerical simulation based on the Computational Fluid Dynamics method has compromising capability to predict the maneuvering derivatives and the 4-DOF ship maneuvering motion in shallow water as well.

The complexity of the design in high-rise residential projects is a challenge for the construction industry in completing projects that fit the needs of users. Performance-Based Building Design (PBBD) appears as a design concept that can describe these needs into performance requirements. In this case designing a building can be considered as an iterative process of exploration, where desired functional properties can be created, the shapes are suggested, and evaluation processes is used, so as to bring together the shapes and functions of the building. This concept is a container for designers to produce high-performance buildings. This study aimed to identify the performance-based building design factors applied by architect designers and engineers in high-rise residential building in Surabaya. As part of this study, primary data was collected based on surveys conducted through observation and questionnaire distributed to designers who had or were involved in the high-rise residential design process in Surabaya. A total of sixty-eight respondents were included in this study. Descriptive analysis through a mean and standard deviation scatter plot was used to rank the application of PBBD. Meanwhile, factor analysis was used in the analysis of PBBD application factors. From the results of the analysis, four factors were obtained for the application of PBBD in high-rise residential buildings in Surabaya, namely; the interests of occupants, the sustainability of building operations, the design collaboration process, and the risk of loss. Future research is the influence relationships and measure the success model of PBBD at a higher level into BIM (Building Information Modeling) interoperability.

Impact in the form of innovation and commercialisation is an essential component of publicly funded research projects. PHUSICOS, an H2020 Innovation Action project, aims at demonstrating the use of nature-based solutions for mitigating hydrometeorological hazards in rural and mountainous areas. The work program is built around key innovation actions, and each WP leader specifically responsible for nurturing innovation processes, maintaining market focus and ensuring relevance for the intended recipients of the project results. Key success criteria for PHUSICOS include up-scaling and mainstreaming of NBS to reach broader market access. An innovation strategy and supporting tools for implementing this within PHUSICS has been developed and key concepts forming the basis for this strategy are presented in this research note.

Public parks are a community resource with an important role in improving liveability, physical, and mental wellbeing. However, exercise facilities that are suitable for people with disabilities typically have been neglected in public park design. As such, people with disabilities often are unable to independently or safely use the park. To address this shortcoming, the objective of this paper was to employ a pragmatic research through designing process in developing the design for an inclusive park. We used a mixed-methods approach in the research that included review of previous studies, semi-structured interviews, and questionnaire surveys with stakeholders were applied as design integration. Persons with disabilities specifically were consulted to express their views on all matters of inclusive park design.

Low-dimensional carbon-based (LDC) materials have attracted extensive research attentions in electrocatalysis because of their unique advantages such as structural diversity, low cost, and chemical tolerance. They have been widely used in a broad range of electrochemical reactions to relief environmental pollution and energy crisis. Typical examples include hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), carbon dioxide reduction reaction (CO₂RR), and nitrogen reduction reaction (NRR). Traditional “trial and error” strategies seriously slowed down the rational design of electrocatalysts for these important applications. Recent studies show that the combination of density functional theory (DFT) calculations and experimental research is capable of accurately predicting the structures of electrocatalysts, thus could reveal the catalytic mechanisms. Herein, current well-recognized collaboration methods of theory and practice are reviewed. The history of modern DFT, commonly used calculation methods, and basic functionals are briefly summarized. Special attention is paid to descriptors that are widely accepted as a bridge links the structure and activity, and the breakthroughs for high-volume accurate prediction of electrocatalysts. Importantly, correlating multiple descriptors are used to systematically describe the complicated interfacial electrocatalytic processes of LDC catalysts. In addition, machine learning and high-throughput simulations are crucial in assisting the discovery of new multiple descriptors and reaction mechanisms. This review will guide the further development of LDC electrocatalysts for extended applications from the aspect of DFT computations.

The present work provides continuity with studies where currently the industrial market is characterized by a highly variable demand in terms of quantities and flexibility of manufacturing or mass customization, which translates into a more demanding production context in terms of the continuous changes required to the production systems, the effect of which results in an increase in the fatigue subjected to the machines that make up the production systems. On the other hand, current production systems tend to use highly communicative and sensorized cyber-physical systems; these characteristics can be used to integrate them into decision-assisted systems in order to improve the availability of the industrial plant. The assisted system developed focuses on collecting and taking advantage of historical knowledge of industrial plant failures and breakdowns. By ideally integrating the Reliability Centered Maintenance (RCM) methodology and Case-Based Reasoning (CBR) algorithms implemented in a Java application, it is possible to design maintenance plans adjusted to a real and changing operational context of any industrial plant. As a result, faster and more accurate decisions are made, as they are based on data. This article focuses on improving certain aspects of the developed assisted system by adding more value to it by incorporating Fuzzy Logic (FL) techniques. The aim is to improve the way of entering information about risk factors and their relative importance, by incorporating natural language, instead of a numerical score, resulting in increased precision in the calculation of the Risk Priority Number (RPN) of the new cases incorporated into the assisted system.

This thesis presents the effects of work done on a software project for generative models and spreadsheets, allowing for a quick creation of the conceptual model of the aircraft. The subject of the work is a response to the current trends and needs prevailing in the field of computer design engineering CAD and aviation. In the initial chapters, theoretical issues related to the work being carried out were introduced and the methodology of creating software for construction and verification of the structure of aircraft along with the needs of interchange between databases of generative models was presented. In the next stages, the concepts and selected solutions for the user interface supporting the knowledge base were presented along with a set of procedures for its operation. Furthermore, the method of database integration with the methods of determining design features for the developed generative models and with the Siemens NX system. Furthermore, problems encountered in software development, as well as solution examples for model application are specified. The results obtained and the models generated on their basis were subjected to a strength analysis using Autodesk Inventor software and analysed in terms of meeting the initial assumptions. In the end, conclusions and observations resulting from the effects of the work presented in the project were formulated.

Educating for Sustainability involves promoting sustainable competences in students. Not in vain, wider societal changes that ensure a balance between economic growth, respect for the environment and social justice must start with individual actions, implying knowledge, capacity and willingness to act. However, and although there is wide consensus that education should promote the development of competences for life, putting this theoretical tenet into may entail more problems. Competence is most often expressed in general terms without a specific definition of the intervening elements (knowledge, skills, values, attitudes), which may collide with the necessity of teachers – as learning planners - concrete entities on which to base their process of design. So that, in this work we propose a series of indicators that serve to characterize the four dimensions of scientific competence – contents of science, contents about science, value of science and utility of science-. Although they are primarily intended to be used to filter multimedia resources in an educational platform, this proposal of indicators can be extrapolated to the management and selection of a variety of resources and activities, and for sharing the objectives and evidences for the acquisition of competencies.

The automotive industry has witnessed a significant push towards increased fuel efficiency and reduced carbon emissions. Among many factors influencing overall vehicle efficiency, aerodynamic drag is a critical consideration, accounting for a substantial portion of fuel consumption. Our investigation focused on the drag coefficients of three prominent 2023 passenger car models – the Toyota Corolla, Hyundai Elantra, and Kia Soul. Using ANSYS Fluent to perform computational fluid dynamics, we demonstrated an inverse correlation between drag force and gas mileage, underlining the significance of aerodynamic design in fuel efficiency. Notably, the Hyundai Elantra emerged as the most aerodynamically efficient of the three vehicles, followed closely by the Toyota Corolla. In contrast, the boxier-designed Kia Soul exhibited significantly higher drag coefficients and drag forces, rendering it the least efficient of the trio. These findings emphasize the importance of environmental factors in car design. Shaping aerodynamic profiles directly impacts fuel efficiency, stability, and overall performance.

The main objective of this work is the design and implementation of self-adaptive capabilities in wireless sensors by applying control engineering and model-based design methodologies. It has been addressed the problem related to the changes in the flow of data packets through the network connection and the excess energy consumption that this causes in these devices. To design the solution, a systemic characterization of the scheduling and execution process of embedded tasks on the device has been carried out. This means defining cause-effect relationships in the system and its modelling theoretically and/or experimentally. In turn, these models facilitate the design of control strategies to improve the dynamic behavior of the system. As a solution, a self-adaptation strategy based on feedforward control algorithm has been designed and developed, which has been applied to improve the dynamic behavior and resource consumption. The developed solution has been satisfactorily evaluated experimentally.

In this work, the decennial experience of Policumbent student team at Politecnico di Torino is summarized by focusing on the acquired knowledge in design of Human Powered Vehicles (HPVs) and on soft skills developed by both students and staff. Policumbent was funded by the authors at the end of 2008 in order to gather engineering students interested in design and construction of HPVs. In the last decade, the team has grown from 10 up to 50 students enrolled per year, exploring a range of HPV design for sports and mobility. Even when focusing on sport vehicles and extreme HPVs for speed record, such kind of projects allows students to familiarize with important concepts related to sustainable mobility: the amount of resistive forces and dissipated power, the role of vehicle weight and the impact of acceleration on the overall energetic balance as far as fundamental concepts about energy consumption, efficiency and emissions of the ``human engine'' in comparison with other kind of engines. By touching with hands such topics in the framework of a ``human-centred'' design project, the students have opportunity to develop awareness about the impact of design choices on sustainability of any kind of vehicle for transportation. Also, the paper retraces the team evolution path by focusing on a thorough analysis of what factors contributed to the success of this project.

Over the last few decades, ocean research and exploration have made underwater mechanical systems a necessity. Underwater vehicles provide a new kind of marine platforms that could represent a great necessity in many areas of oceanographic research. Until now, the underwater vehicles come in a verity of shapes, sizes and means of propulsion. Depending on these characteristics, the type and mission of the vehicle are also determined. The underwater robots are used for different inspection and intervention missions in e.g. the oil and gas industry, ocean science research. Due to multiple applications to which the vehicle can participate, it can be successfully used and to determine methods of re-use of marine energy. Environmental mapping provides accurate information about the main areas of interest of the energy, as well as the exploitation possibilities of that. Most of the time, biomimetic robots were inspired their senso structure, from different kind of animals, such as insects, fish and birds. Nowadays, the concept of a underwater robotic vehicles capable to move independently, autonomously or remotely, has a great potential and a large application. This is the reason that the last studies have been directed on biomimetic robots. The fish and other underwater animals have evolved superior swimming capabilities in many ways and represent a starting point to explain the fluid-mechanical principles. Furthermore, the underwater animals develop and achieve extraordinary propulsion efficiencies, acceleration and maneuverability. They can also achieve high speed under water. Implanting and creating a vehicle through a biomimetic approach reduces the energy used to maneuver the vehicle as it can automatically correct its position and displacement. The paper presents an examination of the state of biomimetic robotic fishes, underlining the reason why bio-inspiration can help us in the underwater locomotion technology.

Machine Learning deals with creating algorithms capable of learning from the provided data. These systems have a wide range of applications and can also be a valuable tool for scientific research which in recent years has been focused on finding new diagnostic techniques for particle accelerator beams. In this context SPARC_LAB is positioned, a facility located at the Frascati National Laboratories of INFN, where the progress of beam diagnostics is one of the main developments of the entire project. With this in mind, you aim to present the design of two neural networks aimed at predicting the spot size of the electron beam of the plasma-based accelerator at SPARC_LAB, which powers an undulator for the generation of x-ray Free Electron Laser (XFEL). Data-driven algorithms use two different data preprocessing techniques, namely autoencoder neural network and PCA. With both approaches, the predicted measurements can be obtained with an acceptable margin of error and most importantly without activating the accelerator, thus saving time, even compared to a simulator that can produce the same result but much more slowly. The goal is to lay the groundwork for creating a digital twin of linac and conducting virtualized diagnostics using an innovative approach.

Intersectoral and intermunicipal cooperation are still underdeveloped spheres of public and economic development policies. Academic discussions are invariably focused on pro-competitive activities, the economic efficiency of which is not always sufficient. In this paper the authors attempt to identify factors leading to cooperation between local government authorities and economic entities, focusing on examples from the forest and wood-based sector in Poland. These processes are analysed in the framework of the New Institutional Economy, both in the theoretical and practical context.

Electromobility promises to efficiently mitigate consequences of increasing traffic volume and its accompanied greenhouse gas emissions. On an individual level, electrified bikes allow emission free electrified mobility at moderate costs and consequently their stock has increased significantly in recent years. This simultaneously increases the demand for spare parts, which are often manufacturer or application-specific, and due to many variants, challenging to provide for the market. This article evaluates powder-based and extrusion-based metal additive manufacturing of a typical electrified bike component to demonstrate an alternative spare parts supply. The investigation demonstrates how these parts can be additively manufactured function equivalent and with sufficient mechanical properties, also taking economical aspects into account. Furthermore, the needed resources and related environmental consequences for metal-based additive manufacturing spare-part production are compared for both process routes. The results show that both routes are capable of producing spare-parts at comparatively same mechanical performance and resource costs, while needed resources such as energy, gases and manufacturing time are significantly lower for powder-based, respectively machine costs for extrusion-based additive manufacturing. Therefore, additive manufacturing offers a promising opportunity to produce parts in small quantities resource efficient and rapidly.

Infiltration based stormwater best management practices bring considerable economic, social and ecological benefits. Controlling stormwater quantity and quality are primarily important to prevent urban flooding and minimizing loads of pollutants to the receiving waters. However, there have been growing concerns about how the traditional design approach contributes to the failure of infiltration based BMP’s that have caused flooding, ponding, prolonged movement of surface water, and frequent clogging, etc. Many of these problems were due to the fact that the current design approaches of stormwater BMP’s only focus on surface hydrology and give little or no attention to the underline subsoil permeability rate and other constraints during the design and sizing process. As a result, we are exhibiting many newly constructed infiltration based BMP’s are failing to function well. This paper presents and demonstrates a new paradigm shift in designing infiltration-based stormwater BMP’s by combining subsurface hydrology and undelaying native soil constraints to establish acceptable criteria for sizing infiltration based BMPs.

The performance of OpenFOAM in strong scaling tests on HPC systems with AMD EPYC processors exhibits a pronounced superlinear speedup. Simple test cases show superlinear speedups of over 300%, which significantly impacts the efficient use of computing resources. With the last generation of HPC architectures, a superlinear speedup of about 10% to 20% was well expected and accepted by CFD users. The measured superlinear speedup is much more pronounced and withstands the communication overhead to even larger scales. A detailed performance analysis of OpenFOAM follows, employing various High-Performance Computing (HPC) architectures, including AMD, ARM and Intel systems. The performance metric FVOPS (Finite VOlumes solved Per Second) is introduced to compare the performance of Computational Fluid Dynamics (CFD) applications when varying the grid size, as occurs in a strong scaling test. The achievable FVOPS depends on various factors, including the simulation type, boundary conditions, and especially the grid size of a use case. Analysing FVOPS on a single node level with varying grid size shows a significant difference in performance and cache utilization, which explains the large superlinear speedups seen in the strong scaling tests. Furthermore, FVOPS can be used as a simple benchmark to determine the optimal number of grid elements per rank to simulate a given use case at peak efficiency on a given platform, resulting in time, energy, and cost savings. The FVOPS metric also facilitates the direct comparison between different HPC architectures. The tests using AMD, ARM, and Intel processors show a peak in performance when employing around 10,000 grid elements per core. The presence of a large L3 cache on AMD processors is particularly advantageous, as indicated by L3 cache miss rates observed on AMD EPYC processors. Our results suggest that future HPC architectures with larger caches and higher memory bandwidth would benefit the CFD community.

As the need to minimize environmental impact continues to rise, it is essential to incorporate, advance, and adopt renewable energy sources and materials to attain climate neutrality. It is established that economic growth is built upon infrastructure where cement industry plays a crucial role. However, it is also known that this industry is actively looking for ways to transition towards low-carbon practices to encourage sustainable and environmentally conscious practices. To this end, the use of refused derived fuels to substitute fossil fuels is very appealing, as these present the potential to lower the clinker production costs and CO2 emissions. Bearing this in mind, the primary objective of this work is to gain insights of the combustion behavior in an industrial rotary kiln, studying real-life scenarios and assessing the potential of substituting alternative fuels for fossil fuels to reduce CO2 emissions. A 3D CFD turbulent combustion model was formulated in Ansys® considering a Pillard NOVAFLAM® burner, where refused derived and petcoke fuels were used and different secondary air mass flows were considered. From the obtained results it was possible to conclude that the outcome of the combustion process is greatly influenced by the fuel-to-air ratio. Increasing the secondary air mass flow promotes the occurrence of a complete and efficient combustion process, leading to an enhanced fuel conversion and decreased formation of pollutants as CO, soot, and unburnt hydrocarbons.

In this paper, we analyzed the live fish trajectory recorded from an experiment in an experimental vertical slot fishway. Combined with a numerical simulation, we demonstrated that randomness shown in fish trajectory might not merely be attributed to fish's random choices in its swimming, also could be an adaption consequence to the bulk unsteady turbulent flow structure. Simple superposing the fish trajectory on the time-averaged flow field obtained either by interpolating on discrete point measurements or numerical simulation is not an ideal method for fish movement description in fishway engineering. How to model the fish paths in transient flow and the necessity of simultaneous recording of the flow field and the fish locomotion are challenging topics. The suggested spectrum analysis of the flow field may provide a new general method to reproduce the fish trajectory in a complex turbulent flow.

Among the different applicable irrigants for root canal disinfection, sodium hypochlorite 5.25% is one of the most attractive ones. The quality of root canal disinfection is dependent on some factors such as the employed approach, type of flow rate of irrigant and the size of needle. The majority of studies in the field of root canal disinfection are experimentally carried out. In the current article, Computation Fluid Dynamic (CFD) is used for modeling the antimicrobial liquid flow in the root canal and evaluate the effects of needle size and flow rate. Two needles, G28 and G30, are used for irrigation in three volumetric rates of flow including 0.10 mL⁄s , 0.20 mL⁄s and 0.30 mL⁄s. The results of numerical simulations revealed the improved quality of root canal disinfection by augmentation in the rate of flow and decrease in the inner diameter of the needle. According to the outcomes of the modeling, the highest average wall shear stress obtained in the case of using G28 needle and 30 mL⁄s flow rate, which was approximately 10.21 Pa.

Computational fluid dynamics (CFD) has, in the last decade, being an essential problem solving tool in industries such as pharmaceutical, pulp, petrochemical as well as Oil and Gas processing. The use of CFD for mixer design is unpopular in many countries in Africa. Therefore, this study investigates the characteristics of Brine-Surfactant mixing in a horizontal pipeline using CFD. The CFD is conducted by AnsysFluent software (licensed). A T-junction pipe is created and meshed with unstructured tetrahedral elements using design modeler. Discretization is done by Finite Volume Method (FVM), cell-centered scheme with Second-Order Upwind Scheme. The pressure term is introduced into the continuity equation by SIMPLE (Semi-Implicit Method for Pressure Linked Equations) algorithm. The kinetic epsilon model, also known as k-e model is administered to define the properties of the fluid and geometry, such as velocity, species mole fraction, pipe diameter. The boundary conditions is selected based on filed data. The rate of fluid flow in the primary region is 650 bbl/day at 400psi in 4in diameter pipeline, which is 100m long. The numerical simulation was based upon the governing equations such s continuity, Navier’s stoke, energy as well as specie transport equations. The findings shows that higher concentration results in increased mixing time, while 2% conc. of surfactant reaches homogeneity in 20 minutes at 72 meters of the pipe length. The result validated with field detail and the empirical result from literature, and is consistent. This study provide insight on industrial mixer design, chemical injection system, as well as gas pipeline design and optimization, especially in multiphase scale transport.

Marine vessels operating on the Arctic Sea route are constantly prone to collisions and friction with ice. This study discusses the wear of the hull plate caused by the collision of ice against vessels operating in Arctic Sea routes. The abrasive wear of the hull due to ice impact was numerically assessed based on both the incident behavior of ice particles interacting with the flow around the hull and the wear loss of the hull surface caused by the contact force of ice particles. A multi-phase approach was adopted to account for the behavior of ice particles continuously affected by the fluid force around the hull. The fluid force acting on the ice floe was evaluated using computational fluid dynamics (CFD) and the dynamic motion of the drift ice was evaluated using the discrete element method (DEM). The motion of the floating ice particles was updated in real time by iteratively coupling the fluid force and the motion of the ice floe at each time step of the numerical simulation. The results of the wear simulation models were presented in terms of the shape change of the hull surface due to wear. At first, the wear was evaluated for cases in which only the surface paint of the hull was damaged. Thereafter, a computation model considering the shape change of the hull surface experiencing long-term friction of ice particles was introduced. Finally, the numerical procedures to predict the abrasive wear of the hull surface by ice impact were discussed.

This review article is aimed at exploring the possibility of developing an integrated approach in the management of the different needs of endometrial cancer (EC) patients seeking to become pregnant. Life preservation of the woman, health preservation of the baby, a precocious and – as much as possible – minimally invasive characterization of the health and fertility parameters of the patient, together with the concerns regarding the obstetric, neonatal, and adult health risks of the children conceived via assisted reproduction techniques (ART) are all essential aspects of the problem to be taken into consideration, yet the possibility to harmonize such needs through a concerted integrated approach is still highly challenging. This article aims to illustrate the main features of EC and how it affects the normal physiology of pre-menopausal women. Then, we focus on the prospect for a miR-based, molecular evaluation of patient health status, including both EC early diagnosis and staging and, similarly, the receptivity of the woman, discussing the possible evaluation of both aspects using a single specific panel of circulating miR in the patient, thus allowing a relatively fast, non-invasive way to perform such testing with a significantly reduced margin of error. Finally, the ethical and legal/regulatory complexities arising from such innovative techniques require not only a risk-benefit analysis; respect for patient autonomy and equitable health care access allocation are fundamental issues as well.

Student attendance serves many other important purposes aside from monitoring. In certain universities, the attendance of students in a course is also used as one of the requirements for students to be allowed to sit for the final examination. Traditionally, among most Malaysian Institutions of Higher Learning (IHL), attendance recording is usually done using pen and paper, or uses simple web-based system that is time consuming and difficult for faculty periodic monitoring. To address the identified drawbacks, this research aims to develop a Smart Attendance for Faculty Monitoring System using the Bluetooth Low Energy (BLE) technology to assist faculty in recording, managing and monitoring students’ attendance and class schedules effectively. The system is developed for Android-based devices using an agile methodology consists of iteration and incremental approaches. Thus, to evaluate the effectiveness of the system, a survey was conducted on 140 respondents involving lecturers and students of Kolej Universiti Poly-Tech MARA (KUPTM). Respondents were selected using purposive sampling. The descriptive analysis showed that 87.9% of the respondents strongly agreed that the system is effective in assisting lecturers to record attendance, manage class schedules and student attendance as well as to assist faculty in monitoring students’ absenteeism.

The acquired immunodeficiency syndrome (AIDS) caused by the human immunodeficiency virus (HIV) continues to be a public health problem. In 2020, 680,000 people died from HIV-related causes, and 1.5 million people were infected. Antiretrovirals are only a way to control HIV infection but not to cure AIDS. As such, effective treatment must be developed to control AIDS. Developing a drug is not an easy task, and there is an enormous amount of work and economic resources invested. For this reason, it is highly convenient to employ computer-aided drug design methods, which can help generate and identify novel molecules. Using the de novo design, new novel molecules can be developed using fragments as building blocks. In this work, we develop a virtual-focused compound library of HIV-1 viral protease inhibitors from natural product fragments. Natural products are characterized by a large diversity of functional groups, many sp3 atoms, and chiral centers. Pseudo-natural products are a combination of natural products fragments that keep the desired structural characteristics from different natural products. An interactive version of chemical space visualization of virtual compounds focused on HIV-1 viral protease inhibitors from natural product fragments is freely available at https://figshare.com/s/ceb58d58e8f5585ce67e.

When using meta-heuristic optimization approaches for optimization, a large number of samples are required. In particular, when generating subgeneration, the utilization of existing samples is low and the number of individuals is high. Therefore, surrogate-based optimization has been developed, which greatly reduces the number of individuals in the subgeneration and the cost of optimization. In complex air supply scenarios, single-objective optimization results may not be comprehensive; therefore, this paper developed a double-objective air supply optimization method based on the Kriging surrogate model and Non-dominated Sorting Genetic Algorithms-II. And proposed the infill criteria based on clustering to advance the Pareto Frontier. The method was validated by an inverse prediction case, and in particular, the problems when based on 3D steady-state simulations were analyzed. The results showed that the method can quickly achieve an approximate prediction of the boundary conditions (when prediction were made based on experimental data, the number of simulations was 82 and the average error was 6.8%). Finally, the method was used to optimize the air supply parameters of a dual-aisle, single-row cabin. The Pareto set suggested that an airflow organization with dual circulation may be optimal.

Background: MR image classification in datasets collected from multiple sources is complicated by inconsistent and missing DICOM metadata. Therefore, we aimed to establish a method for the efficient automatic classification of MR brain sequences. Methods: Deep convolutional neural networks (DCNN) were trained as one-vs-all classifiers to differentiate between six classes, T1 weighted (w), contrast-enhanced T1w, T2w, T2w-FLAIR, ADC, and SWI. Each classifier yields a probability, allowing threshold-based and relative probability assignment while excluding images with low probability (label: unknown, open-set recognition problem). Data from three high-grade glioma (HGG) cohorts was assessed; C1 (320 patients, 20101 MRI images) was used for training, while C2 (197, 11333) and C3 (256, 3522) were for testing. Two raters manually checked images through an interactive labeling tool. Finally, MR-Class' added value was evaluated via radiomics models' performance for progression-free survival (PFS) prediction in C2, utilizing the concordance index (C-I). Results: Approximately 10% of annotation errors were observed in each cohort between the DICOM series descriptions and the derived labels. MR-Class accuracy was 96.7% [95%-Cl: 95.8, 97.3] for C2 and 94.4% [93.6, 96.1] for C3. 620 images were misclassified; Manual assessment of those frequently showed motion artifacts or alterations of anatomy by large tumors. Implementation of MR-Class increased on average the PFS model C-I by 14.6% compared to a model trained without MR-Class. Conclusions: We provide a DCNN-based method for sequence classification of brain MR images and demonstrate its usability in two independent HGG datasets.

The discrete element method (DEM) coupled with computational dynamics (CFD) has been considered one of the most sensitive ways of studying fluidized beds. This paper presents gas-solid fluidized bed simulations by use of CFD-DEM. The two-phase interaction is calculated in a way of decoupling. Within the effective neighborhood of the particles, the kernel approximation method is used to calculate the local porosity, thereby calculating the drag force on the particles. At the grid scale, the momentum exchange coefficient is calculated using a two fluid model based method, thereby calculating the source term of the phase interaction in the fluid control equation. The simulated form, size and motion process of the big bubble are all consistent with experimental observations. The simulated solid volume fraction and relative pressure averaged in a horizontal plane at 45 mm above the bottom are in reasonable agreement with the experimental data. The fluctuation of the simulated bed height over time is similar to the experimental measurement results. The reproduction of these qualitative and quantitative results indicates that the proposed method effectively improves simulation performance and accuracy.

This paper investigates a numerical code coupling technique to tackle multi-physics and multi-scale simulations using state-of-the-art software packages that typically address some specific modeling domain. The coupling considers the in-house FEM code, FEMuS, and the FVM code OpenFOAM, by exploiting the MED library from the SALOME platform. The present approach is tested on a buoyancy-driven fluid flow within a square cavity, where the buoyancy force constitutes the coupling term. In uncoupled scenarios, momentum and temperature equations are solved both in FEM and FVM codes without data exchange. In the coupled setting, only the OpenFOAM velocity and the FEMuS temperature fields are solved separately and shared at each time step (or vice versa). The MED library handles the coupling with the addition of suitable ad-hoc data structures that perform the field transfer between codes. Different Rayleigh numbers are investigated, comparing the outcomes of coupled and uncoupled cases with reference literature results. Additionally, a boundary data transfer application is presented to extend the capabilities of the coupling algorithm to coupled applications with separate domains. In this problem, the two domains share interfaces and boundary values on specific fields as fluxes are exchanged between the two numerical codes.

Labyrinth seals are commonly used in turbomachinery in order to control leakage flows. Flutter is one of the most dangerous potential issues for them, leading to High Cycle Fatigue (HCF) life considerations or even mechanical failure. This phenomenon depends on the interaction between aerodynamics and structural dynamics; mainly due to the very high uncertainties regarding the details of the fluid flow through the component, it is very hard to predict accurately. In 2014, as part of the E-Break research project funded by the European Union (EU), an experimental campaign regarding the flutter behaviour of labyrinth seals was conducted at Centro de Tecnologias Aeronauticas (CTA). During this campaign, three realistic seals were tested at different rotational speeds, and the pressure ratio where the flutter onset appeared was determined. The test was reproduced using a linearized uncoupled structural-fluid methodology of analysis based on Computational Fluid Dynamics (CFD) simulations, with results only in moderate agreement with experimental data. A procedure to adjust the CFD simulations to the steady flow measurements was developed. Once this method was applied, the matching between flutter predictions and the measured data improved, but still some discrepancies could be found. Finally, a set of simulations to retain the influence of the external cavities was run, what further improved the agreement with testing data.

Drafting is a common technique to reduce the drag experienced by elite runners on races, leading to better running efficiency and energy savings. The tactic has been successfully used in previous races where world records were set, especially by Eliud Kipchoge in the 2018 and 2022 editions of the Berlin marathon. In the 2023 edition of the Chicago Marathon, Kenyan runner Kelvin Kiptum broke the Marathon record after a 2:00:35 finish. This feat becomes even more impressive by the lack of use of drafting formations, despite the availability of two pacers for the majority of the race. In this study, the drag faced by Kiptum and his pacers during the race is calculated by means of computational fluid dynamics (CFD). The performance of each runner is evaluated from an energetic standpoint, and the analysis is extended to include more efficient drafting formations. Our results indicate that, by properly using the advantages of drafting, Kiptum could have finished the race at a staggering 1:57:34, a full three minutes better than his own record and 215 seconds better than the previous world record.

Efficiency improvement is the new challenge in all fields of design. In this scenario the reduction of power losses is becoming more and more a main concern also in the design of power transmissions. Appropriate models to predict power losses are therefore from the earliest stages of the design phase. The aim of the project is to carry on lubrication simulations of several variants of a cylindrical-roller-bearing to understand the lubricant distribution and the related churning power losses. Several strategies to reduce the computational effort have been used. Among them the sectorial symmetry and three innovative meshing strategies (purely analytical with and without interfaces and analytical/subtractive) that have been implemented in the OpenFOAM® environment. The results of the different approaches were compared among them and with experimental observations showing good agreement and reasonable savings in terms of computational effort.

This manuscript discusses a novel method to map pressure results from one 3D surface shell mesh onto another. This technique is especially important when transferring results from one numerical analysis to another. This method works independent of the actual pressures, and only focuses on ensuring the surface areas consistently match. By utilizing this approach, the cumulative forces consistently match for all input pressures. This method is demonstrated to work for pressure profiles with precipitous changes in pressures, and with small quadrangular source elements being applied to a mix of large quadrangular and triangular target elements, and the forces at all pressure profiles match remarkably.

The present studies deliver the computational investigations of a 10 MW turbine with a diameter of 205.8 m developed within the framework of the AVATAR (Advanced Aerodynamic Tools for Large Rotors) project. The simulations were carried out using two methods with different fidelity levels, namely the computational fluid dynamics (CFD) and blade element and momentum (BEM) approaches. For this purpose, a new BEM code namely B-GO was developed employing several correction terms and three different polar and spatial interpolation options. Several flow conditions were considered in the simulations, ranging from the design condition to the off-design condition where massive flow separation takes place, challenging the validity of the BEM approach. An excellent agreement is obtained between the BEM computations and the 3D CFD results for all blade regions, even when massive flow separation occurs on the blade inboard area. The results demonstrate that the selection of the polar data can influence the accuracy of the BEM results significantly, where the 3D polar datasets extracted from the CFD simulations are considered the best. The BEM prediction depends on the interpolation order and the blade segment discretization.

Simulation programs contain Computational Fluid Dynamics - CFD codes and are a useful tool used for gas flow through porous materials. Conducting numerical simulations allows for detailed analysis of hydrodynamic phenomena. The results of numerical modeling should always be verifiable based on experimental data. Only their compliance with the results of experimental tests is a determinant of the correctness of the applied method. As part of the work, experimental studies of hydrodynamics of gas flow through an isotropic porous material were carried out and numerical simulation for material of the same shape was used. In the CFD modeling Kolmogorov's hypothesis for the transport of kinetic energy of turbulence k and transport of dissipation rate of kinetic energy of turbulence ε was used.

In this paper, we studied and analyzed the behavior of velocity profiles and the distribution of pressures in a pipe connected to an accessory. In this case, it was a 90º elbow fitting in which water flows as an incompressible flow. This study was developed numerically through the fluent program of ANSYS. It is of practical interest in engineering because it is based on results regarding the internal structure of a model of incompressible flows. In the same way, it provides a basis for the proper design and implementation of velocity profiles within an elbow.In the agricultural industry, suitable systems can be implemented for crop irrigation in this way with the results obtained to improve the design in the fluid distribution system.We used a feasible κ-ε turbulence model because this model causes less turbulence than the standard κ-ε model. A mesh independence study was developed, in which it was observed that combining different densities of meshes for the same geometry causes some variables, so a fine meshing was used to carry out the study so that the results are as close to reality as possible.

Novel strategies in coastal protection are needed to cope with climate change-induced sea level rise. They aim at the sustainable development of coastal areas in light of an intensification and land use changes. A promising approach is the design of nature-based solutions (NbS), complementing the safety levels of technical infrastructures. However, NbS lack a widespread and large-scale implementation. To address this deficit, co-design concepts are needed that combine experiences from science and practice. This work presents and discusses the approach of a coast-specific real-world laboratory (RwL) addressing the inclusive design of ecosystem-based coastal protection. Strategies of RwLs are applied for the first time in a coastal context along the North Sea coastline in Germany. We found the concept of RwLs suitable for coastal transdisciplinary research, although adaptions in the spatial reference level or flexibility in location and time of experimentation are necessary. A profound actor analysis is indispensable to specify participatory processes and interaction levels. A criteria-based cooperative selection of RwL sites helps to reveal and solve conflicting interests to achieve trust between science and practice. Addressing site-specific characteristics and practitioners’ needs, our coastal RwL provides a mutual learning space to develop and test NbS to complement technical coastal protection.

Structure-based design and synthesis of two biphenyl-N-acyl-β-D-glucopyranosylamine derivatives as well as their assessment as inhibitors of human liver glycogen phosphorylase (hlGPa, a pharmaceutical target for type 2 diabetes) is presented. X-ray crystallography revealed the importance of structural water molecules and that the inhibitory efficacy correlates with the degree of disturbance caused by the inhibitor binding to a loop crucial for the catalytic mechanism. The in silico derived models of the binding mode generated during the design process corresponded very well with the crystallographic data.

Personalized cancer vaccines have emerged as a promising avenue for cancer treatment or prevention strategies. This approach targets the specific genetic alterations in individual patient’s tumors, offering a more personalized and effective treatment option. Previous studies have shown that generalized peptide vaccines targeting a limited scope of gene mutations are ineffective, emphasizing the need for personalized approaches. While studies have explored personalized mRNA vaccines, personalized peptide vaccines have not yet been studied in this context. Pancreatic ductal adenocarcinoma (PDAC) remains challenging in oncology, necessitating innovative therapeutic strategies. In this study, we developed a personalized peptide vaccine design methodology, employing RNA sequencing (RNAseq) to identify prevalent gene mutations underlying PDAC development in a specific patient solid tumor tissue. We performed RNAseq analysis for trimming adapters, read alignment, and somatic variant calling. We also developed a Python program, called GeneFinder, which validates the alignment of the RNAseq analysis. The Python program is freely available to download. Using chromosome number and locus data, GeneFinder identifies the target gene along the UCSC hg38 reference set. Based on the gene mutation data, we developed a personalized PDAC cancer vaccine that targets 100 highly prevalent gene mutations in the individual patient. We predicted peptide-MHC binding affinity, immunogenicity, antigenicity, allergenicity, and toxicity for each epitope. Then, we selected the top 50 and 100 epitopes based on our previously published vaccine design methodology. Finally, we generated pMHC-TCR 3D molecular model complex structures which are freely available fo download. The designed personalized cancer vaccine contains epitopes commonly found in PDAC solid tumor tissue. Our personalized vaccine was composed of neoantigens, allowing for a more precise and targeted immune response against cancer cells. Additionally, we identified mutated genes which were also found in the reference study where we obtained the sequencing data, thus validating our vaccine design methodology. This is the first study designing a personalized peptide vaccine using human patient data to identify gene mutations associated with the specific tumor of interest.

With the engineering system becoming more and more complex, the uncertainty factors have a more and more profound influence on the reliability and security of the engineering system. In recent years, Reliability-Based Design Optimization (RBDO) has been studied extensively in complex engineering system design. The research on reliability optimization design considering stochastic uncertainty has been comprehensive and widely used. However, the reliability optimization design considering mixed uncertainty has the disadvantages of large computation and imprecise convergence. This study proposes an RBDO method based on Particle Swarm Optimization (PSO) and Simulated Annealing (SA) to overcome this challenge. In the method, PSO is used to solve the most probable point, while SA has excellent global optimization capability to acquire the global optimal solution. Finally, three examples are given to illustrate the advantages of the proposed method.

Biomolecular structure drives function, and computational capabilities have progressed such that the prediction and computational design of biomolecular structures is increasingly feasible. Because computational biophysics attracts students from many different backgrounds and with different levels of resources, teaching the subject can be challenging. One strategy to teach diverse learners is with interactive multimedia material that promotes self-paced, active learning. We have created a hands-on education strategy with a set of fifteen modules that teach topics in biomolecular structure and design, from fundamentals of conformational sampling and energy evaluation to applications like protein docking, antibody design, and RNA structure prediction. Our modules are based on PyRosetta, a Python library that encapsulates all computational modules and methods in the Rosetta software package. The workshop-style modules are implemented as Jupyter Notebooks that can be executed in the Google Colaboratory, allowing learners access with just a web browser. The digital format of Jupyter Notebooks allows us to embed images, molecular visualization movies, and interactive coding exercises. This multimodal approach may better reach students from different disciplines and experience levels as well as attract more researchers from smaller labs and cognate backgrounds to leverage PyRosetta in their science and engineering research. All materials are freely available at https://github.com/RosettaCommons/PyRosetta.notebooks.

In this study, an extensive data set was based on existing literature records in order to enable the suitability of several predictive models, from Multiple Linear Regression (MLR) to Neural Networks (NN). The main objective was to, through regression analyses, generate model computations to correlate tensile properties (UTS- Ultimate Tensile Strength, YTS – Yield Tensile Strength and EF – Elongation-to-Fracture) to a given alloy composition and microstructural spacing. This investigation led to positive results, as the highest accuracies of the trained modules (in 80% of the database) were found to be above ~82% (UTS and EF) and a maximum of ~98% (YTS), when analyzing the results to a test data set. Later, these models were used to define trends for possible next solder alloy commercial compositions. Overall, using the standard model’s setup, the Random Forest and Decision Tree models showed the highest accuracy results, with 0.958 for YTS as opposed to 0.907 for MLR. Moreover, Multilayer Perceptron (MLP)-optimized models yielded the best results for each variable, with the highest increases in accuracy associated with the YTS and EF. The present contribution might imply an important milestone towards alloy design research based on data science guidelines to unlock the full potential of former experiments and their extensive set of results.

As a result of the growing demand for foods with reduced animal protein content, many new alternative diets are now emerging. Nevertheless, recent studies have shown that the Western population is unprepared for drastic changes and is disinclined to accept foods based on alternative proteins. However, hybrid products might become a good transitional offer. This study used a desirability-based mixture design to model hybrid spreadable cheese analogues (SCAs). The design combined the dairy protein (MPC), Tenebrio molitor (IF) and faba bean (FBP) flours. Nine SCAs with different MPC/FBP/IF ratios were formulated, representing 0, 50 and 100% MPC replacement (7.1% of the formula). Incorporating the IF negatively impacted the desirable texture properties. The FBP flour improved the texture (achieving increased firmness and stickiness and decreased spreadability), but only when combined with MPC. Changing the MPC/FBP/IF ratio affected the colour of SCAs. Sensory analysis showed that hybrid SCAs (≤ 50% MPC) had a more characteristic cheesy flavour than the commercial plant-based reference, and sample C2 had a texture profile similar to the dairy reference. Samples containing IF showed a better flavour profile than the products without IF. The SCAs had higher protein and lower saturated fat, starch and sugar con-tent than commercial analogues.This study demonstrates that the inclusion of alternative proteins can be effective as a strategy to reduce dairy protein content in hybrid product formulations.

This article shows the numerical results and the analysis of households' degree of knowledge in an intermediary city such as Huelva (Andalusia, Spain) about the sustainable use of urban water. It analyzes the needs and values regarding water and the attitudes that households maintain regarding the acceptance of reclaimed water and the use of new technologies to achieve more efficient and sustainable consumption. These results are part of the stages of needfinding and synthesis of Design Thinking methodology, adopted as a framework to improve the efficiency and sustainability of urban water among households in this city. Different statistical analysis techniques of surveys sent to households and the use of clustering are the mathematical tools used to draw conclusions and recommendations that allow the design of a web-based prototype grounded on Product Service Systems methodology, as a tool to improve the engagement of households concerning water and align citizens with the sustainability of their city. Strategies of customization and technological facilitators will be the means to improve the hydrosocial contract among households in Huelva in future later stages of the project.

The increasing demand for higher power in rocket launchers is driving the development of higher power nozzles, achieved essentially by increasing the expansion ratio. However, this can lead to flow separation and resulting unsteady, asymmetrical forces, called side loads, which can limit the life of both the nozzle itself and other engine components. If this problem can be overcome, engine performance can be significantly increased. Therefore, various separation control methods have been proposed, but none have been fully implemented to date due to the uncertainties associated with modeling and predicting the flow phenomena. A numerical study of high area ratio rocket engine is presented to analyze the aeroelastic performance of the structure under the condition of flow separation. The finite volume method, the 2nd order upwind scheme and the extended wall function are used to analyze the flow inside the rocket nozzle and the transition of the Free Shock Separation (FSS) to Restricted Shock Separation (RSS) separation pattern ) to be discussed in detail. Since the location of the flow separation point depends heavily on the flow.

Computational Fluid Dynamics (CFD) is revolutionizing the oil and gas industry by offering powerful insights and innovative solutions. This paper explores the cutting-edge applications of CFD in enhancing and innovating within the sector. CFD simulations provide engineers with invaluable insights into fluid behavior, enabling optimized designs and informed decision-making. The software facilitates foresight by predicting system performance, optimizing drilling techniques, and maximizing reservoir management strategies. Moreover, CFD optimizes equipment design, increases operational efficiency, and reduces costs through virtual testing, eliminating the need for costly physical prototypes. The application of CFD aligns with the United Nations Sustainable Development Goals (SDGs), promoting energy efficiency, climate action, responsible production, and sustainable consumption. It addresses flow assurance challenges, enhances safety protocols, and mitigates environmental impacts. CFD is a powerful tool driving innovation, resilience, and sustainability within the oil and gas industry, ensuring a more efficient, safe, and environmentally conscious future. As advancements in CFD methodologies continue, the potential for further enhancements and breakthroughs within the sector becomes even more promising, driving the industry towards a sustainable and prosperous future.

An aneurysm is a vascular malformation, it can be classified according to its location (cerebral, aortic); and according its shape (saccular, fusiform, and mycotic). The study of blood flow interaction with the aneurysms has gained attention from physicists an engineers in recent years. Shear stresses, oscillatory shear index (OSI), gradient oscillatory number (GON), and residence time had been used as potential variables to describe the hemodynamics as well as the origin and evolution of aneurysm. However, the causes of aneurysms and the hemodynamics conditions that promote the growth of these structures are still under debate. The present work presents numerical simulation on three aneurysms: 2 aortic and 1 cerebral. The results shows that the blood rheology is not relevant for aortic aneurysms, however, for cerebral aneurysm could play a relevant role in the hemodynamics. The turbulence models evaluated show equivalent results in both cases. Lastly, a simulation considering the fluid-structure interaction (FSI) shows that this phenomenon is the dominant factor for aneurysms simulation.

Many farms utilize closed-type livestock systems to enhance productivity and facilitate effective environmental management. However, the confined nature of these closed spaces poses an increased risk of exposure to harmful gases and organic dust for both workers and livestock. Additionally, the introduction of outside air through ventilation systems can lead to temperature fluctuations within the breeding environment, resulting in potential productivity issues. This research paper employs computational fluid dynamics (CFD) to develop ventilation operation management plans that address both the working environment and the breeding environment simultaneously. The proposed plans are designed to be easily implemented in practical farm settings. The findings of this study, based on simulation analysis, indicate that while ventilation is effective in reducing harmful gases and improving the working environment, its efficiency decreases after the initial 3 minutes of operation. Furthermore, uncontrolled ventilation can cause sudden temperature changes, which may adversely affect the well-being of the livestock. However, when upgraded ventilation structures are implemented, significant improvements in the working environment (an average of 27.3% improvement) can be achieved while maintaining temperature stability for the livestock. These results highlight the importance of referring to the provided ventilation operation management table before commencing work, as it enables workers to improve the working environment while minimizing the potential impact of ventilation on the breeding environment.

For better understanding the corrosion and corrosion products behavior in the primary circuit of lead-bismuth eutectic (LBE) coolant reactor, the concentration distribution of soluble impurities and the transport of solid particles are investigated through finite-element method. An axisymmetric model of the primary circuit of LBE reactor was constructed to accelerate the calculation the thermal hydraulic filed of circuit. The saturation concentration of solute Fe, Cr and Ni in LBE coolant are identified through the equilibrium of their oxides and PbO. And the very different saturation concentrations of Fe/Cr/Ni in LBE will lead to significant element selective corrosion. The migration of solid oxides particles in the primary circuit is also investigated by the Euler-Lagrange tracing model. The simulation shows that driving force for the movement of particles &gt;100 μm is buoyancy, which lets particles float on a free surface, while particles &lt;10 μm tend to suspend in coolant. However, the behavior of particles also depends on the formation position, the particles formed above the core have the high possibility of re-entering in the core.

We have developed an unsteady and non-linear wind synopsis simulator called RIAM-COMPACT (Research Institute for Applied Mechanics, Kyushu University, COMputational Prediction of Airflow over Complex Terrain) in order to simulate the airflow on a microscale, i.e., a few tens of km or less. In RIAM-COMPACT, the large-eddy simulation (LES) has been adopted for turbulence modeling. LES is a technique in which the structures of relatively large eddies are directly simulated and smaller eddies are modeled using a sub-grid scale model. In the present study, we have conducted the numerical wind diagnoses for Taikoyama Wind Farm nacelle separation accident in Japan. The simulation results suggest that all six wind turbines at the Taikoyama Wind Farm are subject to significant influence from separated flow (terrain-induced turbulence) which is generated due to the topographic irregularities in the vicinity of the wind turbines. A proposal has been also made on reconstruction of the wind farm.

Performing optimisation and scale-up studies of crystallisation systems requires accurate and computationally efficient mathematical models. The assumption of the ideal mixing conditions in batch reactors typically produce inaccurate results while the computational expense of CFD models is still prohibitively high. Therefore, in this work, a new intermediary approach is proposed that takes into account the non-ideal mixing conditions in the reactor and requires less computational resources than full CFD simulations. Starting with the Danckwerts concept of the intensity of segregation, an analogy between its application to chemical reactions and the kinetics of the crystallisation phenomena (such as nucleation and growth) has been made. As a result, the modified kinetics expressions have been derived which incorporate the effect of non-idealities present in stirred reactors. This way, based on the experimental measurements of the mixing time using the Laser Induced Fluorescence (LIF) technique, computationally more efficient mathematical models can be developed in two ways: (1) the accurate semi-empirical correlations are available for standard mixing configurations with the most often used types of impellers, (2) CFD simulations can be utilised for estimation of the mixing time; in this case it is necessary to simulate only the mixing process. The benefits offered by the LIF experimental technique have been demonstrated and some frequent problems in its application analysed. The mixing time results for configurations with and without baffles for three types of impellers and four different rotational speeds have been presented. The false shorter mixing times in the non-baffled configurations have been observed and this phenomena explained by the existence of two segregated zones in the reactor and confirmed by additional experiments. The precise measurements in these cases have been shown as difficult using the LIF technique, particularly for higher rpms. The experimental data has been compared to the preliminary simulation results obtained from the Smoothed Particle Hydrodynamics method and the standard k-ε turbulence model with the modest success. The shortcomings of the SPH model have been recognized and the directions for the future work discussed.

The second article in the series presents the application of the Smoothed Particle Hydrodynamics (SPH) method to modelling of batch crystallisation in stirred tanks. A methodology to integrate the population balance equations (PBE) in parallel and independently from the Navier-Stokes equations is demonstrated. The benefits of the proposed methodology in terms of computational requirements, accuracy and availability of the crystal size distribution are discussed. The specific formulation of the SPH equations where the resulting system of ordinary differential equations is solved using the weighted contributions rather than numerically by solving a linear system of equations allows for massive parallelisation and a very loose coupling of the population balance and the fluid dynamics. It has been demonstrated, that the population balance equations can be solved on a Shared Memory Architecture (SMA) system using the OpenMP interface while the fluid dynamics equations being computed independently on a General Purpose Graphics Processing Unit (GPGPU) using the NVidia CUDA technology. This way, a significant portion of the computational overhead due to the large number of additional transport equations resulting from the discretisation of the population balance was removed: the SPH simulation coupled with 200 population balance equations was only 40% slower compared to SPH-only simulation. Two methods for the solution of population balance equations that preserve full crystal size distribution were implemented: discretised population balance (DPB) and method of characteristics (MOCH). The DPB equations are solved using the high-resolution finite-volume method with flux limiter and the effect of a large number of different flux limiters have been investigated. Both methods were validated using the case studies from the literature where an analytical solution can be derived. The developed models were applied to a numerical solution of coupled computational fluid dynamics and population balance equations to model a batch crystallization process. The effect of the hydrodynamics on the local temperature/supersaturation and the resulting crystal size distribution was captured and compared to the ideal mixing case. The simulation results from the DPB and MOCH methods were compared in terms of computational requirements and accuracy and MOCH selected as computationally more efficient and accurate.

In this study, a basic study was performed to analyze the seasonal temperature status of a research room in the Global Environment Research Building where ceiling-embedded indoor units are installed to study the room temperature status of the building as well as to improve its thermal environment. In addition, a direction for improvement of the indoor thermal environment in the winter was proposed through a CFD (computational fluid dynamics) simulation and was proven by an additional experiment. Through the results of this study, it appeared that if the ceiling-embedded indoor unit was installed in the small indoor space without considering the thermal vulnerability of its perimeter boundary, the air temperature of the upper part was greatly different from that of the bottom part in the winter. Hence, in this study, as a means to improve it, convectors were installed to minimize the effect of the external thermal environment and angle-controllable air flowing fans were installed to mitigate the stratification distribution. With such result, it was intended to present the essential data for improvement of the thermal environment as well as conservation of heating energy in the winter for buildings by reviewing the use of the ceiling-embedded indoor unit in the future.

Plasmodium falciparum dihydroorotate dehydrogenase (PfDODH) is one of the enzymes currently explored in the treatment of malaria. Although there is currently no clinically approved drug targeting PfDODH, many of the compounds in clinical trials have [1, 2, 4,] triazolo [1, 5-a] pyrimidin-7-amine backbone structure. This study sought to design new compounds from the fragments of known experimental inhibitors of PfDODH. Nine experimental compounds retrieved from Drug Bank online were downloaded and broken into fragments using Schrodinger power shell; the fragments were recombined to generate new ligand structures using BREED algorithm. The new compounds were docked with PfDODH crystal structure, after which the compounds were filtered with extensive drug-likeness and toxicity parameters. A 2D-QSAR model was built using the multiple linear regression method and externally validated. The compounds electronic behaviours were studied using DFT calculations. Structural investigation of the six designed compounds, which had lower binding energies than the standard inhibitors, showed that five of them had [1, 2, 4,] triazolo [1, 5-a] pyrimidin-7-amine moieties and interacted with essential residues at the PfDODH binding site. In addition to their drug-like and pharmacokinetic properties, they also showed minimal toxicities. The externally validated 2D-QSAR model with R² and Q² values of 0.6852 and 0.6691, confirmed the inhibitory prowess of these compounds against PfDODH. The DFT calculations showed regions of the molecules prone to electrophilic and nucleophilic attack. The current study thus provides insight into the development of a new set of potent PfDODH inhibitors.

Surveys on the optimum seismic design of structures reveal that many investigations focus on how to minimize its initial cost while satisfying the performance constraints. Although reducing the initial cost while complying with the requirements of earthquake design codes of practice will significantly guarantee the life safety of occupants against earthquakes, it may still cause considerable economic losses to residents and fatalities. Accordingly, calculating the possible earthquake damages caused during the structure's lifetime may become essential from the optimal Life Cycle Cost (LCC) design point of view. LCC analysis is used to evaluate economic feasibility including construction, operation, occupancy, maintenance and end-of-life costs. For optimization, the population-based, meta-heuristic algorithm based on the Ideal Gas Molecular Movement (IGMM), has established its capability in solving highly nonlinear mono and multi-objective engineering problems. Therefore, this paper investigates the LCC -based mono and multi-objective optimum design of a 3-D four-story concrete building structure combined with the Endurance Time (ET) competence. The results show that, apart from substantially reducing the total number of analyses required, the proposed technique significantly affected dipping minor injury cost, rental, and income costs by 22%, 16%, and 16%, respectively. In total, a 10% reduction in all structural life-cycle costs was achieved, which could well be considered significant.

In this paper, dual-rotor counter-rotating (CR) configurations of vertical axis wind turbines (VAWT) are briefly inspected and divided into three types. This investigation was focused on one of these types – the CR-VAWT with co-axial rotors, in which two equal rotors are placed on the same shaft, displaced from each other along it and rotate in opposite directions. For this CR-VAWT with three-blade H-Darrieus rotors, the properties of the design in terms of aerodynamics, mechanical transmission and electric generator, as well as control system are analyzed. A new direct-driven dual-rotor (DR) permanent magnet synchronous generator (PMSG) was proposed, in which two built-in low-power PM electric machines have been added. They perform two functions – start-up and overclocking of the rotors to the angular velocity at which the lifting force of the blades is generated and stabilizing the CR-VAWT work as wind gusts act on the two rotors. Detailed in this paper is the evaluation of aerodynamic performance of the CR-VAWT via 3D computational fluid dynamics (CFD) simulations. The evaluation was conducted using the CONVERGE CFD software with the inclusion of the actuator line model for the rotor aerodynamics, which significantly reduces the computational effort. Obtained results show that both rotors, while they rotate in opposite directions, had a positive impact on each other: the power coefficients of the upper and lower rotors in the CR-VAWT increased by 5.5% and 13.3% respectively compared to the single-rotor VAWT at the optimal distance between the rotors of 0.3 from a rotor height.

Currently, an interactive environmental planning analysis system platform based on " Three Lines One Permit " (TLOP) is being developed to support environmental planning, construction project approval, and the application of TLOP outcome data in Guangzhou. The main objective is to provide governments, businesses and the public with environmental planning analysis tools to determine the site of construction projects. The platform is using the system architecture of the browser and server. Its core functions are interactive environmental planning analysis tool for construction project and the results display tool supporting map viewing. It provides users with a large number of detailed geospatial data and TLOP results data access and environmental planning analysis functions. This article describes the system architecture and implementation of the system platform and has a case study illustrating the system functionality. At present, the platform has been deployed and trial-operated. The content of the analysis framework is constantly expanding. This promotes the matching of environmental planning and analysis with local conditions. This will implement the application of TLOP and improve the efficiency of project construction and the level of ecological environment planning and management.

COVID-19 is characterized by an unprecedented abrupt increase in the viral transmission rate (SARS-CoV-2) relative to its pandemic evolutionary ancestor, SARS-CoV (2003). The complex molecular cascade of events related to the viral pathogenicity is triggered by the Spike protein upon interacting with the ACE2 receptor on human lung cells through its receptor binding domain (RBD_Spike). One potential therapeutic strategy to combat COVID-19 could thus be limiting the infection by blocking this key interaction. In this current study, we adopt a protein design approach to predict and propose non-virulent structural mimics of the RBD_Spike which can potentially serve as its competitive inhibitors in binding to ACE2. The RBD_Spike is an independently foldable protein domain, resilient to conformational changes upon mutations and therefore an attractive target for strategic re-design. Interestingly, in spite of displaying an optimal shape fit between their interacting surfaces (attributed to a consequently high mutual affinity), the RBD_Spike–ACE2 interaction appears to have a quasi-stable character due to a poor electrostatic match at their interface. Structural analyses of homologous protein complexes reveal that the ACE2 binding site of RBD_Spike has an unusually high degree of solvent-exposed hydrophobic residues, attributed to key evolutionary changes, making it inherently ‘reaction-prone’. The designed mimics aimed to block the viral entry by occupying the available binding sites on ACE2, are tested to have signatures of stable high-affinity binding with ACE2 (cross-validated by appropriate free energy estimates), overriding the native quasi-stable feature. The results show the apt of directly adapting natural examples in rational protein design, wherein, homology-based threading coupled with strategic ‘hydrophobic ↔ polar’ mutations serve as a potential breakthrough.

The article presents a multiphase numerical computational fluid dynamics (CFD) for simulating hydrothermal liquefaction of sewage sludge in a continuous plug-flow reactor. The discrete particle method (DPM) was used to analyze the solid particle interaction in liquid-solid high shear flows to investigated coupling computational fluid dynamics (CFD) and discrete phase model (DPM) method. Increasing solid particles interaction were observed with increasing liquid velocity. The study examined the influence of parameters such as flow rate, temperature and residence time on the efficiency of bio-oil production. Furthermore, the trajectories of the solid particles are affected significantly by the ash flow and the solid particle size, thus the trajectories of particles resembles the streamlines. A parametric study is performed to investigate the effect of slurry flow rate, temperature and external heat transfer coefficient on the biocrude oil productions performance. This simulation data will be used in the future to design and scale up a large-scale HTL reactor.

The envelope (façade) of a building is the first barrier between the exterior and the interior of the building and withstands the highest variation of temperature and solar radiation. Trombe walls are used to take advantage of that and contribute to the heating of interior air, helping the heating system. In this study, a new Trombe wall design is presented with the aim to contribute significantly to the ventilation of residential buildings. For this an exterior wall equipped with a proposed Trombe system was studied in a numerical simulation analysis. The proposed systems consist of two parts, the air cavities on the exterior of the wall, covered with silica glass, and another layer used for heat transfer, on the interior, comprised of a MPCLBs wall of 115mm. Two cities in Romania were considered to represent the coldest and hottest climate in Romania. Brașov representing the cold climate and Constanța representing the hot climate. In the investigation, both the presence and absence of solar radiation were taken into account. In total 4 cases were established. For all four cases monthly research was made using monthly means temperature, direct and diffuse solar radiation. The results are promising and illustrate that the system works the best during the transitional seasons of spring and autumn. The lower the outdoor temperature the higher the temperature can be increased. Overall, solar radiation accounted for an average of 2 °C increase. The temperature increase varied between 3.4 °C to 15.99 °C for Brașov and between 6.42 °C to 12.07 °C in Constanța.

Hydrogen storage in high pressure tanks can occur with different filling strategies. Many studies have been carried out on supplies with increasing pressure rates. However, hydrogen filling with constant mass inflow rate have not received the same attention. The present work aims to carry out numerical simulations to study hydrogen flow, in a type 3 tank of 70 MPa NWP and constant inflow rate condition. From the analysis of the results, it was possible to verify that there is a linear relationship between the increase in the total equilibrium temperature and the final hydrogen temperature. There is also a linear increasing relationship between Inlet and final temperatures when the equilibrium temperature is fixed. Considering fully adiabatic walls results in significant increases in temperature. The difference between total and static temperatures found in the Inlet tube decreases with the decrease in mass flow rate. The choice of a polymer for the tank lining led to higher temperatures when compared to an aluminum lining.

This study proposes a customized industrial nozzle for generating impulsive air jets. It is installed on an automatic machine where wine caps are stacked and shot consecutively into a rotating cylinder by an air jet. This process is very noisy; hence, this study aimed to investigate possible geometric variations of the nozzle that can reduce the emitted noise. First, the nozzle was tested in a laboratory to measure the air consumption at different supply pressures. Subsequently, 3D models of the nozzle and its variations were created and used for computational fluid dynamics simulations. Different boundary conditions were set, first to validate the model and compare it with the experimental test results, and then to simulate the real working conditions and determine the geometry that is less noisy while maintaining the velocity peak. Among the various possibilities, shortening the final ducts of the nozzle appears to be the most promising solution. These modified nozzles could be easily added to current machines to provide immediate benefits, and this study represents a promising start for action on other machines where this type of device is present.

The previously developed models for fuel droplet heating and evaporation processes, mainly the Discrete Multi Component Model (DMCM), and Multi-Dimensional Quasi-Discrete Model (MDQDM) are investigated for the aerodynamic combustion simulation. The models have been recently improved, and generalised for a broad range of bio-fossil fuel blends so that the application areas are broadened with increased accuracy. The main distinctive features of these models are that they consider the impacts of species thermal conductivities and diffusivities within the droplets to account for the temperature gradient, transient diffusion of species and recirculation. A formulation of fuel surrogates is made, using the recently introduced model, referred to as ‘’Complex Fuel Surrogate Model (CFSM)’’ and analysing their heating, evaporation, and combustion characteristics. The CFSM is aimed to reduce the full composition of fuel to a much smaller number of components based on their mass fractions, and to formulate fuel surrogates. Such approach has provided a proof of concept with the implementation of the developed model into a commercial CFD code ANSYS-Fluent. A case study is made for the CFD modelling of gas-turbine engine using kerosene fuel surrogate. The surrogate is proposed using the CFSM. The model is implemented into ANSYS-Fluent via a user-defined function to provide the first full simulation of the combustion process. Detailed chemical mechanism is also implemented into ANSYS Chemkin for the combustion study.

The present paper investigates numerically the resistance at full-scale of a zero-emission, high-speed catamaran in both deep and shallow water, with the Froude number ranging from 0.2 to 0.8. The numerical methods are validated by two means: a) comparison with available model tests; b) a blind validation using two different flow solvers. The resistance, sinkage and trim of the catamaran, as well as the wave pattern, longitudinal wave cuts and cross-flow fields, are examined. The total resistance curve in deep water shows a continuous increase with the Froude number while in shallow water, a hump is witnessed near the critical speed. This difference is mainly caused by the pressure component of total resistance, which is significantly affected by the interaction between the wave systems created by the demihulls. The pressure resistance in deep water is maximised at a Froude number around 0.58, whereas the peak in shallow water is achieved near the critical speed (Froude number ≈ 0.3). Insight into the underlying physics is obtained by analysing the wave creation between the demihulls. Profoundly different wave patterns within the inner region are observed in deep and shallow water. Specifically, in deep water, both crests and troughs are generated and moved astern as the increase of the Froude number. The maximum pressure resistance is accomplished when the secondary trough is created at the stern, leading to the largest trim angle. In contrast, the catamaran generates a critical wave normal to the advance direction in shallow water, which significantly elevates the bow and creates the highest trim angle as well as pressure resistance. Moreover, significant wave elevations are observed between the demihulls at supercritical speeds in shallow water which may affect the decision for the location of the wet deck.

Based on K-ε Standard Wall turbulence model (2-Equation) and Navier-Stokes (N-S) equations defined for incompressible fluids, fluid flow behaviour around hyperloop pods in an evacuated tube was simulated using ANSYS fluent solver assuming steady state and two dimensional conditions. In this research, to develop the case studies, using combination of different head and tail shape profile, four kind of hyperloop pods were developed with the aid of SolidWorks. These four pods have been investigated for their aerodynamic behaviour as four different case scenarios. The results of simulation depicts that an atmospheric pressure of 100 Pa with blockage ratio of 0.36 in tube provides the best possible aerodynamic behaviour for the designed hyperloop pod models. This research finds that overall aerodynamic behaviour of hyperloop pods can be varied by changing the head and tail shape profile of pods and a particular combination of head and tail shape profile can provide optimally best aerodynamic capabilities. Thus, this research paper provides a novel method of obtaining best aerodynamic capabilities in hyperloop pods by designing head profile optimally in combination with tail profile. This outcome will provide major contribution towards the development of hyperloop pods in future with better aerodynamic behaviour resulting in lesser electrical energy required to propel the hyperloop pods in evacuated tube.

A common reactor type in the chemical and process industry is the fixed-bed reactor. Accurate modeling can be achieved with particle-resolved Computational Fluid Dynamic (CFD) simulations. However, the underlying bed morphology plays a paramount role. Synthetic bed-generation methods are much more flexible and faster than image-based approaches. In this study, we look critically at the two different bed generation methods: Discrete Element Method (DEM) (in the commercial software STAR-CCM+) and the rigid-body model (in the open-source software Blender). The two approaches are compared in terms of synthetically generated beds with experimental data of overall and radial porosity, particle orientation, as well as radial velocities. Both models show accurate agreement for the porosity. However, only Blender shows similar particle orientation than the experimental results. The main drawback of the DEM is the long calculation time and the shape approximation with composite particles.

At the Atsumi Wind Farm in Aichi Prefecture, Japan, damage to wind turbines occurred frequently due to terrain-induced turbulence. In the present study, numerical analyses of terrain-induced turbulence were conducted by reproducing the topography in the vicinity of the wind turbine sites in high resolution and using RIAM-COMPACT natural terrain version, which is based on large eddy simulation (LES). The results of the diagnoses indicated that, in the case of south-easterly wind, terrain-induced turbulence is generated at a small terrain feature located upstream of Wind Turbine (WT) #2, which serves as the origin of the turbulence. At the Atsumi Wind Farm, a combination of the series of wind diagnoses and on-site operation experience led to a decision to adopt an "automatic shutdown program" for WTs #1 and #2. Here, "automatic shutdown program" refers to the automatic suspension of wind turbine operation upon the wind speed and direction meeting the conditions associated with significant effects of terrain-induced turbulence at a wind turbine site. The adoption of the "automatic shutdown program" has successfully resulted in a large reduction in the number of occurrences of wind turbine damage, thus, creating major positive economic effects. 1) a reduction in the repair costs by 9.322 million yen per year per wind turbine, 2) an increase in the availability factor by 8.05%, and 3) an increase in the capacity factor by 1.7%.

The optimization methods are increasingly used to solve challenging problems of aeronautical engineering. Typically, the optimization methods are utilized in design of aircraft airframe or its structure. The presented study is focused on an improvement of aircraft-flight-control procedures through the numerical optimization approach. The optimization problems concern selected phases of flight of light gyroplane - a rotorcraft using an unpowered rotor in autorotation to develop lift and an engine-powered propeller to provide thrust. An original methodology of computational simulation of rotorcraft flight was developed and implemented. In this approach the aircraft-motion equations are solved step-by-step, simultaneously with the solution of the Unsteady Reynolds-Averaged Navier-Stokes equations, which is conducted to assess aerodynamic forces acting on the aircraft. As a numerical optimization method, the BFGS algorithm was adapted. The developed methodology was applied to optimize the flight-control procedures in selected stages of gyroplane flight in direct proximity of the ground, where properly conducted control of the aircraft is critical to ensure flight safety and performance. The results of conducted computational optimizations proved qualitative correctness of the developed methodology. The research results can be helpful in design of easy-to-control gyroplanes and also in the training of pilots of this type of rotorcraft.

The importance of antibodies in health care and the biotechnology research and development demands not only knowledge of their experimental structures at high resolution, but also practical implementation of this knowledge for both effective and efficient design and production of antibody for its use in both medical and research applications. While the experimental wet-lab approach is usually costly, laborious and time-consuming, computational (dry-lab) approaches, in spite of their intrinsic limitations in comparison with its experimental (wet-lab) counterpart, provide a cheaper and faster alternative option. For the first time, this article reports a comprehensive set of structural electrostatic features extracted from experimentally determined antigen-antibody-related structures, including especially those structural electrostatic features at the interfaces of all experimentally determined antigen-antibody complex structures as of February 29, 2020, to facilitate effective and efficient machine learning-based computational antibody design using currently available experimental structures inside Protein Data Bank.