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American Physical Society, Physical Review Letters, 13(87), 2001

DOI: 10.1103/physrevlett.87.135501

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Matching Conditions in Atomistic-Continuum Modeling of Materials

Journal article published in 2001 by Weinan E. ORCID, W. E., Zhongyi Huang
This paper is available in a repository.
This paper is available in a repository.

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Abstract

A new class of matching condition between the atomistic and continuum regions is presented for the multi-scale modeling of crystals. They ensure the accurate passage of large scale information between the atomistic and continuum regions and at the same time minimize the reflection of phonons at the interface. These matching conditions can be made adaptive if we choose appropriate weight functions. Applications to dislocation dynamics and friction between two-dimensional atomically flat crystal surfaces are described. ; Comment: 6 pages, 4 figures