Molecular Dynamics Simulation of Adhesive Wear : Influence of Periodic Boundary Condition and Deformation Speed

• Published in: Transactions of the Japan Society of Mechanical Engineers Series A Vol. 64; no. 626; pp. 2456 - 2462
• Main Authors: SEKI, Yasuhiro, KISHIDA, Michiya, SASAKI, Kazuaki
• Format: Journal Article
• Language: Japanese
• Published: The Japan Society of Mechanical Engineers 1998
• Subjects: Adhesive Wear; Computational Mechanics; Deformation Velocity; Molecular Dynamics; Periodic Boundary Condition; Tribology; Wear
• ISSN: 0387-5008; 1884-8338
• DOI: 10.1299/kikaia.64.2456

In this study, the molecular dynamics (MD) is used to simulate an adhesive wear, where the simulation model is simplified as a single α-Fe (bcc material) under shear deformation. The adhesive plane is supposed to be (001) plane and the slip (shear) direction be [010] direction. First, MD analysis is carried out with/without periodic boundary conditions in [100] and [010] directions to clarify the influence of periodic boundary condition. Next, the shear deformation velocity is varied and its influence on the behavior of adhesive wear is examined. The results are summarized as follows : (a) The periodic boundary condition significantly affects the deformation of adhesive wear. That is, the existence of free boundary shows a very important roll in wear. (b) The deformation velocity does not affect the form of adhesive wear, only the time to adhesive wear becomes shorter as velocity becomes larger.