Computation of grain boundary stiffness and mobility from boundary fluctuations.
Conference
·
OSTI ID:969123
Grain boundary stiffness and mobility determine the kinetics of curvature-driven grain growth. Here the stiffness and mobility are computed using an analysis of fluctuations in the grain boundary position during molecular dynamics simulations. This work represents the first determination of grain boundary stiffness for a realistic three-dimensional system. The results indicate that the boundary stiffness for a given boundary plane has a strong dependence on the direction of the boundary distortion. The mobility deduced is comparable with that determined in previous computer simulation studies. The advantages and limitations of the fluctuation approach are discussed.
- Research Organization:
- Sandia National Laboratories
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 969123
- Report Number(s):
- SAND2005-3911C
- Country of Publication:
- United States
- Language:
- English
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