Abstract
Molecular dynamics and statics (MD/MS) simulations are being increasingly used to model the behavior of systems where atomistic details play a critical role. In the last few years atomic scale computations have gone beyond modeling the effects of a few atoms to that of millions of atoms. Even these simulations, which demand extensive computational resources, may not be able to adequately represent the behavior of a typical system. This necessitates a multi-scale approach to such problems. In this paper, we present the atomistic simulation studies of grain boundary sliding of symmetric tilt grain boundaries in aluminum. The simulations are in agreement with experimental results and show a clear dependence of magnitude of sliding on grain boundary energy. Asymptotic expansion homogenization (AEH) is a mathematically rigorous approach to homogenization of periodic structures, which has been used extensively in composites and porous media. We propose a methodology to adapt AEH technique to link atomic scale effects in much larger scale systems.
Original language | English (US) |
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State | Published - 2002 |
Externally published | Yes |
Event | 9th AIAA/ISSMO Symposium on Multidisciplinary Analysis and Optimization 2002 - Atlanta, GA, United States Duration: Sep 4 2002 → Sep 6 2002 |
Other
Other | 9th AIAA/ISSMO Symposium on Multidisciplinary Analysis and Optimization 2002 |
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Country/Territory | United States |
City | Atlanta, GA |
Period | 9/4/02 → 9/6/02 |
All Science Journal Classification (ASJC) codes
- Aerospace Engineering
- Mechanical Engineering