Matching Conditions in Atomistic-Continuum Modeling of Materials

Weinan E and Zhongyi Huang
Phys. Rev. Lett. 87, 135501 – Published 5 September 2001
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Abstract

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.

  • Received 4 June 2001

DOI:https://doi.org/10.1103/PhysRevLett.87.135501

©2001 American Physical Society

Authors & Affiliations

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

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Vol. 87, Iss. 13 — 24 September 2001

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