710 Dissipative Particle Dynamics を用いた原子クラスターの挙動解析

概要

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Gathering behavior of atomic clusters or mechanical behavior of their product is now predicting by computational mechanics. A great many clusters more than now handled by molecular dynamics (MD) can be analyzed by some another coarse-graining method. We adopt Dissipative Particle Dynamics (DPD) method, which was introduced and has been developed to study fluid mechanical behavior. First, coalescence simulation of two clusters is performed to compare MD and DPD results. Degradation of relative velocity agrees very well. Then simulation of over nine thousand copper clusters is accomplished by DPD method. It is observed that initial regular lattice structure of particles transforms into randomly distributed structure, embracing gathering body of clusters such as dimer, trimer, or tetra-mer.
一般社団法人日本機械学会の論文
2003-00-00