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Multiscale Modeling of Point Defects and Free Surfaces in Semi-infinite Solids

Published online by Cambridge University Press:  01 February 2011

V.K. Tewary
V.K. Tewary*
Affiliation:
Materials Reliability Division, National Institute of Standards and Technology Boulder, CO 80305 (vinod.tewary@nist.gov)
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Abstract

A Green's function method is described for multiscale modeling of point defects such as vacancies and interstitials at the atomistic level and extended defects such as free surfaces and interfaces at the macroscopic continuum level in a solid. The point defects are represented in terms of Kanzaki forces using the lattice-statics Green's function, which can model a large crystallite containing a million atoms without excessive CPU effort. The lattice-statics Green's function reduces to the continuum Green's function in the asymptotic limit which is used to model the extended defects by imposing continuum- model boundary conditions. Numerical results are presented for the displacement field on the free surface due to a vacancy in semi-infinite fcc copper.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 731: Symposium W – Modeling and Numerical Simulation of Materials Behavior and Evolution , 2002 , W9.9
Copyright
Copyright © Materials Research Society 2002

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References

1. Tewary, V. K., Adv. Phys. 22 757 (1973).Google Scholar
2. Thomson, R., Zhou, S., Carlsson, A.E., and Tewary, V.K., Phys. Rev. B46 10613 (1992).Google Scholar
3. Vashishta, P., Nakano, A., Kalia, R.K. Mat. Sci. Eng.- Solids B37 56 (1996).Google Scholar
4. Tadmor, E.B., Ortiz, M., and Phillips, R., Phil. Mag. A73 529 (1996).Google Scholar
5. Phillips, R., Curr Opin Solid St. M 3 526 (1998).Google Scholar
6. Tewary, V.K., Phys. Rev. B51 15695 (1995).Google Scholar
7. Pan, E. and Yuan, F.G., Int. J. Solids Struct. 37 5329 (2000).Google Scholar
8. Mindlin, R.D., Physics 7 195 (1936).Google Scholar