表面形貌对单晶CoCrFeMnNi高熵合金刮擦行为影响的分子动力学模拟

采用分子动力学模拟来研究纳米刮擦载荷作用下单晶CoCrFeMnNi高熵合金的刮擦变形行为和晶体结构演变，讨论了平面、矩形和三角形表面形貌以及不同刮头半径对单晶CoCrFeMnNi高熵合金表面刮擦响应的影响. 结果表明：单晶CoCrFeMnNi高熵合金在刮擦过程中的主要塑性变形机理是Shockley不全位错的滑移变形. 对于平面、矩形和三角形表面形貌的CoCrFeMnNi高熵合金，平面类型形貌试样具有最大的摩擦系数. 在1.2 nm的刮擦深度下，表面的非平面形貌通过位错湮灭的方式降低刮擦区域的塑性变形，减小刮擦区域的摩擦系数从而产生减摩效应.

Molecular dynamics simulations were employed to investigate the scratch deformation behavior and crystal structure evolution of single-crystal CoCrFeMnNi high-entropy alloy under nano-scratch loading. The influences of planar, rectangular, and triangular surface topographies, alongside varying scratch indenter radii, on the scratch responses of single-crystal CoCrFeMnNi high-entropy alloy are discussed. The results reveal that the dominant plastic deformation mechanism of single-crystal CoCrFeMnNi high-entropy alloy during scratching is the slip deformation of Shockley partial dislocations. Among the specimens with planar, rectangular, and triangular surface topographies, the planar topography sample exhibits the highest coefficient of friction. At a scratch depth of 1.2 nm, the non-planar surface topographies reduce the plastic deformation in the scratch zone via dislocation annihilation, decrease the coefficient of friction within the scratch zone, thereby generating a friction-reduction effect.

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背景与挑战

背景概述

该数据集通过分子动力学模拟研究单晶CoCrFeMnNi高熵合金在纳米刮擦下的行为，聚焦于表面形貌（平面、矩形和三角形）和刮头半径对刮擦响应的影响。研究发现主要塑性变形机理为Shockley不全位错滑移，平面形貌导致最大摩擦系数，而非平面形貌通过位错湮灭降低塑性变形和摩擦系数，产生减摩效应。数据集由西南科技大学研究人员于2023年发布，属于摩擦学领域，提供模拟数据用于相关研究。