Publicou 6 edições por ano
ISSN Imprimir: 1543-1649
ISSN On-line: 1940-4352
Indexed in
Multiphysical Modeling and a Transscale Computation of Composite Materials and Their Interfaces
RESUMO
In this paper, we shall discuss kinetic equations of composite materials and their interfaces, which is a typical multiphysical problem, due to the existence of very thin interfaces. A multiphysical model and a transscale computational method will be presented. Our method is composed of four parts: the first one is the first-principle calculation (e.g., TB-DFT method) for calculating the total energy and the elastic constants of interfaces ; the second one is the homogenization method for evaluating the effective elastic constants of macroscopic structures of composite materials; the third one is the multiscale method for computing the stress field of macroscopic structures; and the final one is the quantum molecular dynamical method (e.g.,TB-MD) for calculating the local stress field of the interfaces. Some numerical results are reported. The rigorous proofs of some main theoretical results will be given in the Appendixes.
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