Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Molecular Dynamics Study on Wear Resistance of High Entropy Alloy Coatings Considering the Effect of Temperature

Version 1 : Received: 25 June 2024 / Approved: 26 June 2024 / Online: 26 June 2024 (14:43:22 CEST)

How to cite: Zhang, X.; Yang, Z.; Deng, Y. Molecular Dynamics Study on Wear Resistance of High Entropy Alloy Coatings Considering the Effect of Temperature. Preprints 2024, 2024061822. https://doi.org/10.20944/preprints202406.1822.v1 Zhang, X.; Yang, Z.; Deng, Y. Molecular Dynamics Study on Wear Resistance of High Entropy Alloy Coatings Considering the Effect of Temperature. Preprints 2024, 2024061822. https://doi.org/10.20944/preprints202406.1822.v1

Abstract

High entropy alloys have excellent wear resistance, so they have great application prospects in the fields of wear resistance and surface protection. In this study, the wear resistance of FeNiCrCoCu high entropy alloy coating was systematically analyzed by molecular dynamics method. FeNiCrCoCu high entropy alloy was used as a coating material to adhere to the surface of Cu matrix. The friction and nano indentation simulation of this coating material were carried out by controlling the ambient temperature. The influence of temperature on its friction properties was analyzed from five aspects: lattice structure, dislocation evolution, friction coefficient, hardness and elastic modulus. The results show that with the increase of temperature, the disorder of the lattice structure increases, which leads to the increase of the tangential force and the friction coefficient in the friction process. At 300K and 600K, the ordered lattice structure of the high entropy alloy coating material is basically the same, and thus their hardness is basically the same. However, the dislocation density at 600K is significantly reduced compared with that at 300K, resulting in the increase of the elastic modulus of the material from 173GPa to 219GPa. At the temperatures of 900K and 1200k, lattice disorder take place rapidly, and dislocation density also decreases significantly, resulting in a significant decrease in the hardness and elastic modulus of the material. When the temperature reaches 900K, the wear resistance of the FeNiCrCoCu high entropy alloy coating decreases sharply. This work is of great value to the analysis of wear resistance of high entropy alloy at high temperature.

Keywords

high entropy alloys coating; wear resistance; temperature; dislocation density; lattice disorder

Subject

Chemistry and Materials Science, Materials Science and Technology

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