繰り込み変換分子動力学の開発 (第2報):—適用編—

概要

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The renormalized particle molecular dynamics (MD) proposed in the first report has been applied to uniaxial tensile fracture simulations of a bar of mono-crystalline copper in the following way : First, the validity of the quasi-static MD to be used in the proposed method has been verified by comparing the result of the quasi-static MD with that of the standard MD. Then, the high-speed tensile fracture simulations by the proposed method have been carried out, recursively, such that the yield and fracture strains obtained by a simulation is used to modify the parameter between the particle interactions and a new simulation is carried out using both the modified particle interaction and the prescribed description method of particle motions. The repetition of this procedure produces the results for models whose sizes increase in powers. The results show that the fracture mechanism changes from ductile tearing to brittle shearing and to locally expanded breakage with the increase of the size of the model and thus with the increasing effect of stress waves. Finally, the method to embed the proposed method into continuum mechanics simulations is described.