 | 第一原理計算によるハイブリッド分子動力学シミュレーション
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| | | | Abstract: We have developed three types of hybrid molecular dynamics simulation methods based on the first principle calculation to carry out large-scale fracture simulations. These three methods were made possible to understand a wide range of fracture mechanisms from brittle to ductile fractures. Also, the numerical simulation environment has been constructed to share the data and software among researchers located at distant sites and its total system and efficiencies have been verified on the virtual private network (VPN). |
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