Molecular Dynamics Simulation of Micro Mechanisms in Slip Deformation Theory of Crystals

• Published in: CIRP annals Vol. 55; no. 1; pp. 51 - 54
• Main Authors: Inamura, T., Takezawa, N., Yamada, K., Shibuya, K.
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Oxford Elsevier Ltd 2006; Elsevier
• Subjects: Applied sciences; Exact sciences and technology; Fracture mechanics (crack, fatigue, damage...); Fundamental areas of phenomenology (including applications); Mechanical engineering. Machine design; Microcutting; Physics; Precision engineering, watch making; Simulation; Single crystal; Solid mechanics; Structural and continuum mechanics; Simulation; Single crystal; Microcutting; Compliant mechanism; Critical property; Shear; Disordered system; Micromachining; Slip plane; Molecular dynamics; Mechanical properties; Metal; Modeling; Slip system; Cross slip; Discrete time; Crack tip; Copper; Microdisplacement; Dynamic model; Assembly; Discrete event system
• ISSN: 0007-8506
• DOI: 10.1016/S0007-8506(07)60364-3

Based on the discussion that there should be a micromechanism that causes a macroscopic slip of mono-crystal copper, molecular dynamics simulations with the analytical displacement feld around a crack tip have been carried out. The result of the simulation shows that macroscopic shear slip in an f.c.c. mono-crystal copper occurs as discrete time events. This is because cross-slips occur in many places in a material such that a macroscopic shear slip is blocked until some critical state of deformation. A macroscopic shear slip then occurs suddenly at the critical state in which the area of disordered atomic arrangement has stretched from one end of a crystal to the other end. The reason why macroscopic shear slips occur in the directions of the slip planes of a crystal is attributed to the fact that the areas of disordered atomic arrangement develop only along those directions.