分子動力学法と弾性解析による表面に段差を有する異方性弾性体の段差近傍の変位場の解析

概要

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Molecular dynamic simulation and anisotropic elastic theory are employed to determine the elastic fields of surface steps and vicinal surfaces. The displacement field near a step of Fe is determined using atomistic simulation and FS potentials. We derive an anisotropic form for elastic field associated with a surface line force dipole using a two-dimensional surface Green function for a cubic elastic half-space considering surface stresses. The displacements considering surface stresses are less than those no considering near the step. When surface stress varies in a step manner, the displacement in the normal direction of the surface occurs. We considered that surface stress would vary between the surface beneath the step and the surface. The displacement produced by adding the displacement due to the surface dipole force to the displacement due to the variation of surface stress is shown to be in excellent agreement with the simulation.
2005-03-25