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Molecular Dynamics Simulation of Cu with a Hole Under Minus Static Pressures
ZHAO Yan-hong, LI Ying-jun, YANG Zhi-an, ZHANG Guang-cai
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
2006, 23 (3):
343-349.
Molecular dynamics simulations are performed for a block copper with an orbicular hole in the center under minus static pressures. The distortions, characteristics of atoms and radial distribution functions are calculated. Under a small minus pressure, an elastic stretch distortion appears and as the pressure exceeds a certain value plastic deformation and local phase transformation are found. Under extreme minus pressure, the material fractures. As the minus pressure increases the material experiences complex procedures: from an uniform elastic stretch to a local fcc~hcp struture transformation, then from a defect generation to a defect accumutation and finally a fracture forms.
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