分子動力学法によるナノ結晶分散アモルファス金属の強度特性評価とそのモデリング(J08-4 結晶構造・アモルファス,J08 原子系の計算力学シミュレーション)

概要

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A large scale molecular dynamics simulation of tensile deformation of an amorphous metal with a nanocrystalline particle was performed in order to clarify the deformation property and the strengthening mechanism. The crystal particle undergoes almost only elastic deformation. On the other hand, the amorphous phase undergoes large plastic deformation. The debonding at the amorphous-crystal interface was not observeed during die simulation. After yielding, the average stress of the crystal phase increases because of the influence of the neighboring particles. It may be possible to cause work hardening to the nano-composite by giving appropriate volume fraction and crystal size. We used the Lennard-Jones potential which is modified to fulfill the continuity at the cut off distance. The potential parametes were defined based on Inoue's three basic principles.
一般社団法人日本機械学会の論文
2004-09-04