Kinetic Monte Carlo simulation of the aging of nanoporous metals

Gregory J. Wagner, Dariush Seif, Markus Ong

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A kinetic Monte Carlo 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.

Original languageEnglish (US)
Title of host publicationComputational Approaches to Materials for Energy
PublisherMaterials Research Society
Pages13-18
Number of pages6
ISBN (Print)9781617822230
DOIs
StatePublished - Jan 1 2010

Publication series

NameMaterials Research Society Symposium Proceedings
Volume1263
ISSN (Print)0272-9172

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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