Molecular Dynamics Study of Mechanical Properties of Single Crystal Aluminum with Voids and Vacancies

doi:10.19596/j.cnki.1001-246x.7818

Abstract

Abstract: Molecular dynamics simulations are performed for single crystal aluminum with voids and vacancies under uniaxial tension. Effects of crystalline orientation,initial void volume fraction,and concentration of vacancies on growing process of voids are investigated. It indicates that at different orientation, decisive microscopic machanism of void growing is different. At orientation[010], decisive machanism is stacking fault caused by dislocations on {111} surface, while at orientation[111], decisive machanism is movement and accumulation of dislocations.Besides, initial void volume fraction and concentration of vacancies have remarkable influence on growing precess of voids.Totally, macroscopic effective Young's modulus and incipient yield strength decrise with increasing void volume fraction or concentration of vacancies.

Key words: molecular dynamics simulation, single crystal aluminum, void, vacancy

CLC Number:

O733

LIANG Hua, LI Maosheng. Molecular Dynamics Study of Mechanical Properties of Single Crystal Aluminum with Voids and Vacancies[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2019, 36(2): 211-218.

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