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Phys. Rev. Lett. 87, 135501 (2001) [4 pages]

Matching Conditions in Atomistic-Continuum Modeling of Materials

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Weinan E1 and Zhongyi Huang2
1Department of Mathematics and PACM, Princeton University, Princeton, New Jersey 08544 and School of Mathematics, Peking University, Beijing, China
2PACM, Princeton University, Princeton, New Jersey 08544 and Department of Mathematical Sciences, Tsinghua University, Beijing, China

Received 4 June 2001; published 5 September 2001

A new class of matching conditions between the atomistic and continuum regions is presented for the multiscale 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.


©2001 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevLett.87.135501
DOI: 10.1103/PhysRevLett.87.135501
PACS: 63.20.Mt, 02.70.Ns, 46.15.-x

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