Research Activities > Programs >
Nonequilibrium Interface Dynamics >
Workshop 2
|
CSIC Building (#406),
Seminar Room 4122.
Directions: home.cscamm.umd.edu/directions
|
Thermo-mechanical Behavior of
Nanocrystalline Materials by Multiscale Computer Simulation
Dr. Dieter Wolf
Materials Science Division, Argonne National Laboratory
|
Abstract:
Recent atomic-level simulations of the grain-growth and plastic-deformation
behavior of nanocrystalline materials are described. These simulations have now
become large and sophisticated enough where they begin to provide novel,
materials-physics based insights into the intricate interplay between
dislocation and grain-boundary processes controlling the thermo-mechanical
behavior of these materials. Using the case of grain growth as an example, we
illustrate how the insights gained from these simulations can be incorporated
into a hierarchical multiscale approach for the simulation of polycrystalline
materials with an arbitrary grain size. This comprehensive simulation approach
incorporates materials behavior at the three most relevant scales: the atomic
level, the microstructural length and time scales (the 'mesoscale') and the
continuum level. It thus overcomes the inherent length- and time-scale
limitations of the atomic-level simulations while incorporating a realistic,
materials-physics based description of microstructural processes into
engineering types of simulations.
*Work supported by the U.S. Department of Energy, Basic Energy
Sciences-Materials Sciences, under Contract W-3l-l09-Eng-38.
|
|
|