Study of a Combined FEM-MD Method for Silicon
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概要
- 論文の詳細を見る
A new method combining the finite element method (FEM) and the molecular dynamics (MD) for the complicated diamond-like structure of silicon is proposed. For simultaneous simulation, the patch model was used to exchange displacement information in both directions. A one-to-one correspondence of atoms and nodes is impossible for a silicon lattice, therefore, the atom was embedded in an isoparametric element. The influence of internal displacement which is a additional displacement to the continuum one, was taken into consideration. Martin's method was applied to calculate the internal displacement and elastic constants. The conjugate gradient method was used for MD, the Newton-Raphson method was used for FEM to efficiently find the stable state, and the acceleration condition was set to raise convergence. The verification model showed that the smooth transition of displacement and stress was realized in the boundary region of FEM and MD. These values showed good agreement with the elastic solution.
- 一般社団法人日本機械学会の論文
- 2001-01-15
著者
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IZUMI Satoshi
Department of Mechanical Engineering, School of Engineering, The University of Tokyo
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Izumi Satoshi
Department Of Cardiovascular Surgery Kochi Red Cross Hospital
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Izumi Satoshi
Department Of Mechanical Engineering School Of Engineering The University Of Tokyo
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Sakai Shinsuke
Department Of Mechanical Engineering School Of Engineering The University Of Tokyo
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KAWAKAMI Takashi
Mechanical Systems Laboratory, Corporate Research & Development Center
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Kawakami Takashi
Mechanical Systems Laboratory Corporate Research & Development Center
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