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Mechano-Kinetic Coupling Approach for Materials With Evolutionary Internal Structure

[+] Author Affiliations
Eduard G. Karpov, Mykhailo V. Grankin

University of Illinois at Chicago, Chicago, IL

Paper No. IMECE2010-40559, pp. 757-758; 2 pages
  • ASME 2010 International Mechanical Engineering Congress and Exposition
  • Volume 9: Mechanics of Solids, Structures and Fluids
  • Vancouver, British Columbia, Canada, November 12–18, 2010
  • Conference Sponsors: ASME
  • ISBN: 978-0-7918-4446-5
  • Copyright © 2010 by ASME


Coupled multiscale approaches for the analysis and simulation of complex multiphysics phenomena in solids have been of great interest during the last decade. These include concurrent MD/FEM models, atomistic-to-continua homogenization techniques and deterministic multiple time scale approaches. In this paper we discuss a generic approach to concurrently couple the Monte-Carlo master equation of microscopic kinetic processes, not accessible by the direct particle dynamics, with the continuum mechanics formulation. This approach can be adequate for the modeling and validation of advanced contemporary materials with dynamic internal structure, as well as evolutionary and degradation processes in materials. The approach is illustrated in application to models of interstitial and vacancy diffusion in fuel cell catalysts and binary material systems.

Copyright © 2010 by ASME



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