410 分子動力学法による原子クラスター多体系の解析(GS-1 分子動力学法)

概要

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Behavior of many metallic atomic clusters which are depositing onto crystalline wall surface is investigated by molecular dynamics method. At the start, atomic clusters are dispersed in a calculated region with each mass center being attributed combination of random velocity and uniform velocity in the direction toward the wall. Lennard-Jones potential with parameters of copper atom is adopted to the interaction of constituent atoms of cluster and is integrated into the (10-4)-type homogeneous wall potential expression. It is shown that some clusters coalesce when they are drifting and subsequently they are depositing to the wall surface. Higher the controlled temperature is, the larger structure of cluster is constructed on the surface and the more rapidly clusters aggregate.
一般社団法人日本機械学会の論文
2001-03-16