Anisotropy analysis of the surface stress and surface energy in Cu surfaces with the modified embedded atom method |
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Authors: | Yu Shu Ke-Wei Xu |
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Affiliation: | a College of Physics and Information Technology, Shaanxi Normal University, Xian 710062, Shaanxi, China b State Key Laboratory for Mechanical Behavior of Materials, Xian Jiaotong University, Xian 710049, Shaanxi, China c LIM UMR 8006 ENSAM, 151 bd. de L’Hôpital, Paris 75013, France |
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Abstract: | Taking Cu as an example, the surface stress and surface energy in three low index surfaces and two families of representative surfaces and belong to [0 0 1]- and -rotating axis respectively, have been calculated using MEAM. For the three low index surfaces, the decrease in the surface energy is small after relaxation, while the surface stresses in the surface planes τxx and τyy show opposite changes (decreasing and increasing) for inward and outward relaxations. The resulting relaxation direction is related to the normal stress τzz before relaxation. For the surfaces of the and families, with the increasing angle α (between the and (1 0 0) planes, and between and (0 0 1) planes, respectively), the surface stress and surface energy go through an oscillatory change. The surface stress and surface energy are symmetric about the planes (1 0 0), (1 1 0) and (0 1 0) at α=0°, 45° and 90°, and about the planes (0 0 1) and (1 1 0) at α=0° and 90° respectively, due to crystal symmetry. |
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Keywords: | 82.45.Jn 68.35.Md 83.85.St |
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