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Kinetic Monte Carlo Simulation of the Aging of Nanoporous Metals

Published online by Cambridge University Press:  01 February 2011

Gregory J. Wagner
Affiliation:
[email protected], Sandia National Laboratories, Livermore, California, United States
Dariush Seif
Affiliation:
[email protected], Sandia National Laboratories, Livermore, California, United States
Markus D. Ong
Affiliation:
[email protected], Sandia National Laboratories, Livermore, California, United States
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Abstract

A kinetic Monte Carlo (kMC) model for the simulation of the coarsening of nanoporous metals is developed and demonstrated. The model treats surface evolution through the mechanism of surface diffusion by following atoms hopping between sites on an FCC lattice. Using a generic model for event energy barriers, we are able to demonstrate trends in the simulation and show that at high temperatures, coarsening follows approximately the scaling law predicted by continuum surface diffusion theory; the behavior is less clear at low temperatures. By selecting event energies to model palladium we show that we are able to reach temperatures and time scales that have relevance to experiments and applications.

Type
Research Article
Copyright
Copyright © Materials Research Society 2010

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References

1 Robinson, D. B. et al. , International Journal of Hydrogen Energy 34, 5585 (2009).Google Scholar
2 Mullins, W. W. Journal of Applied Physics 28, 333 (1957).Google Scholar
3 Steltenpohl, A. and Memmel, N. Surface Science 454, 558 (2000).Google Scholar
4 Bartelt, N. C. Perkins, L. S. and Evans, J. W. Surface Science 344, L1193 (1995).Google Scholar
5 Agrawal, P. M. Rice, B. M. and Thompson, D. L. Surface Science 515, 21 (2002).Google Scholar
6 Plimpton, S. J. et al. , SAND Report SAND2009-6226, Sandia National Laboratories, Albuquerque, NM (2009).Google Scholar