原子レベルの傾斜機能材料の分子動力学シミュレーション : 材料組成を銅からニッケルヘ線形に変化させた傾斜機能材料(<小特集>材料のミクロ・メゾ評価)

概要

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In order to analyze the atom-order functionally gradient materials (FGM), the molecular dynamics (MD) simulations are proceeded. Two kinds of FGM models, which are constructed with nickel and copper atoms, are made by putting the atoms at lattice points with respect to the mixture ratio. Firstly, the uniform lattice constant, that is the average value of the lattice constant of Ni and Cu, is used. The elastic Constants are very different from those calculated by the mixture formulations for macro model, because the lattice constant of Ni and Cu is different each other. Secondly, the changing lattice constant, that is the lattice constant changes with respect to the mixture ratio, is used. By this model, the distribution of elastic constants along the gradient direction is in good agreement with that derived from the mixture formulations. Not only the elastic constants but also the stress distributions are obtained, and the difference between these two models are discussed.
一般社団法人日本機械学会の論文
1999-03-25