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考虑温度影响的高熵合金涂层耐磨性的分子动力学研究

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

作者信息

Zhang Xianhe, Yang Zhenrong, Deng Yong

机构信息

Hebei Key Laboratory of Mechanics of Intelligent Materials and Structures, Shijiazhuang Tiedao University, Shijiazhuang 050043, China.

Hebei Research Center of the Basic Discipline Engineering Mechanics, Shijiazhuang Tiedao University, Shijiazhuang 050043, China.

出版信息

Materials (Basel). 2024 Aug 7;17(16):3911. doi: 10.3390/ma17163911.

DOI:10.3390/ma17163911
PMID:39203092
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11355469/
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 the FeNiCrCoCu high entropy alloy coating was systematically analyzed by the molecular dynamics method. FeNiCrCoCu high entropy alloy was used as a coating material to adhere to the surface of a Cu matrix. The friction and nanoindentation simulation of this coating material were carried out by controlling the ambient temperature. The influence of temperature on its friction properties was analyzed on 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 an increase of the tangential force and friction coefficient in the friction process. At 300 K and 600 K, the ordered lattice structure of the high entropy alloy coating material is basically the same, and thus its hardness is basically the same. However, the dislocation density at 600 K is significantly reduced compared with that at 300 K, resulting in an increase of the elastic modulus of the material from 173 GPa to 219 GPa. At temperatures of 900 K and 1200 K, lattice disorder takes 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 900 K, the wear resistance of the FeNiCrCoCu high entropy alloy coating decreases sharply. This work is of great value in the analysis of wear resistance of high entropy alloys at high temperature.

摘要

高熵合金具有优异的耐磨性,因此在耐磨和表面防护领域具有广阔的应用前景。本研究采用分子动力学方法系统分析了FeNiCrCoCu高熵合金涂层的耐磨性。以FeNiCrCoCu高熵合金作为涂层材料附着在铜基体表面,通过控制环境温度对该涂层材料进行摩擦和纳米压痕模拟,从晶格结构、位错演化、摩擦系数、硬度和弹性模量五个方面分析温度对其摩擦性能的影响。结果表明,随着温度升高,晶格结构无序度增加,导致摩擦过程中切向力和摩擦系数增大。在300 K和600 K时,高熵合金涂层材料的有序晶格结构基本相同,其硬度也基本相同。然而,600 K时的位错密度相比300 K时显著降低,使得材料的弹性模量从173 GPa增加到219 GPa。在900 K和1200 K时,晶格无序迅速发生,位错密度也显著降低,导致材料的硬度和弹性模量大幅下降。当温度达到900 K时,FeNiCrCoCu高熵合金涂层的耐磨性急剧下降。这项工作对于分析高熵合金在高温下的耐磨性具有重要价值。

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Molecular dynamics simulations for nanoindentation response of nanotwinned FeNiCrCoCu high entropy alloy.纳米孪晶FeNiCrCoCu高熵合金纳米压痕响应的分子动力学模拟
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Sci Adv. 2018 Oct 12;4(10):eaat8712. doi: 10.1126/sciadv.aat8712. eCollection 2018 Oct.
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Characterization of multi-principal-element (TiZrNbHfTa)N and (TiZrNbHfTa)C coatings for biomedical applications.
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