分子動力学法を用いたナノ結晶アルミニウムの引張変形解析

概要

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Molecular dynamics simulation based on Morse potential is used to investigate tensile deformation of bicrystalline and nanocrystalline aluminum. The computational cells contain [001] (310) Σ = 5 tilt grain boundaries. The simulations show that both bicrystalline and nanocrystalline aluminum are more ductile at higher temperatures, and that nanocrystalline aluminum is more ductile than bicrystalline aluminum. When nanocrystalline aluminum is subjected to tensile deformation at a high temperature, its atomic configuration tends to become similar to that of single-crystal aluminum. This may be the cause of higher ductility in nanocrystalline aluminum. When the temperature is low, or when the strain rate is high, this tendency is weakened because of insufficient thermal activation or insufficient time for changes in atomic configuration, respectively.
社団法人日本機械学会の論文
1994-10-25