论摩擦和磨损的原子模拟中金属间的粘合相互作用

IF 2.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL
Mohammad Aramfard, Luca Avanzi, Lucia Nicola
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引用次数: 0

摘要

我们进行了原子模拟,以评估成对原子间势函数的主要特征如何影响磨损的发生。摩尔斯电势在其吸引力部分进行了调整,以独立改变截止半径和吸引力(粘附力)的最大值。然后,在金属晶体和探针之间的相互作用发生变化,而它们的材料特性不受影响的情况下,进行理想的数值实验,以隔离界面的行为。粘附力较大的力函数可宽泛地解释为描述干接触,而粘附力较小的力函数可解释为描述润滑接触。结果表明,磨损的发生在很大程度上取决于原子间力场的形状,更具体地说,取决于最大粘附力和原子间吸引力有效长度的组合。只要原子间的最大粘合力较大,磨损也会在粘合能量较小的情况下发生。当晶体表面粗糙而不是平坦时,原子间势函数对摩擦和磨损的影响就会变小,因为属于粗糙面的原子与晶体其他部分的结合力很弱,在我们使用的任何力函数下都很容易移位。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

On the Adhesive Interaction Between Metals in Atomistic Simulations of Friction and Wear

On the Adhesive Interaction Between Metals in Atomistic Simulations of Friction and Wear

Atomistic simulations are performed to assess how the main characteristics of a pairwise interatomic potential function can affect the occurrence of wear. A Morse-like potential is tailored in its attractive part such as to vary independently the cut-off radius and the maximum value of the attractive (adhesive) force. An ideal numerical experiment is then performed where the interaction between a metal crystal and a probe changes, while their material properties are not affected, to isolate the behavior of the interface. Force functions with larger adhesive force can loosely be interpreted as describing dry contacts while those with smaller adhesive force can be interpreted as describing lubricated contacts. Results demonstrate that the occurrence of wear is strongly dependent on the shape of the interatomic force field, and more specifically on the combination of maximum adhesive force and effective length of the interatomic attraction. Wear can initiate also at small adhesive energy, provided that the maximum adhesive force between atoms is large. When the surface of the crystal is taken to be rough instead of flat, the effect of the interatomic potential function on friction and wear becomes smaller, as the atoms belonging to the roughness are weakly bound to the rest of the crystal and are easily dislodged with any of the force functions we used.

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来源期刊
Tribology Letters
Tribology Letters 工程技术-工程:化工
CiteScore
5.30
自引率
9.40%
发文量
116
审稿时长
2.5 months
期刊介绍: Tribology Letters is devoted to the development of the science of tribology and its applications, particularly focusing on publishing high-quality papers at the forefront of tribological science and that address the fundamentals of friction, lubrication, wear, or adhesion. The journal facilitates communication and exchange of seminal ideas among thousands of practitioners who are engaged worldwide in the pursuit of tribology-based science and technology.
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