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| Advances in multi-scale method based on the bridging domain decomposition in computational materials science |
| Revised:December 03, 2004 |
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| DOI：10.7511/jslx20066122 |
| KeyWord:multi-scale method,bridging domain decomposition,continuum mechanics,Molecular Dynamics,Quantum Mechanics |
| ZHANG Zheng LIU Geng LIU Tian-xiang CUI Jun-zhi |
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| Abstract: |
| There are inherent multi-scale characteristics in materials science. Based on Bridging Domain decomposition techniques the microscopic,meso-scopic or/and nano-scale computation region,such as Molecular Dynamics(MD) and Quantum Mechanics(QM),are introduced into the macroscopic continuum models to couple multiple scale models and methodologies to form an unified computational system.It is called as The Multi-Scale Method based on Bridging Domain decomposition (MSMBD).The physical characteristics of investigated problem can be held by MSMBD algorithm and the computing cost is reduced.In this paper the conception of MSMBD,basic principles,coupled models and discretization methods are discussed,and some examples are given.Finally,several research directions in future are pointed out. |
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