作者
Byeong-Joo Lee, Jae-Hyeok Shim, MI Baskes
发表日期
2003/10/29
期刊
Physical Review B
卷号
68
期号
14
页码范围
144112
出版商
American Physical Society
简介
Modified embedded atom method (MEAM) potentials for fcc elements Cu, Ag, Au, Ni, Pd, Pt, Al, and Pb have been newly developed using the original first nearest-neighbor MEAM and the recently developed second nearest-neighbor MEAM formalisms. It was found that the original MEAM potentials for fcc elements show some critical shortcomings such as structural instability and incorrect surface reconstructions on (100),(110), and/or (111) surfaces. The newly developed MEAM potentials solve most of the problems and describe the bulk properties (elastic constants, structural energy differences), point defect properties (vacancy and interstitial formation energy and formation volume, activation energy of vacancy diffusion), planar defect properties (stacking fault energy, surface energy, surface relaxation and reconstruction), and thermal properties (thermal expansion coefficients, specific heat, melting point, heat of …
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