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     COLLOQUIUM OF THE COMPUTATIONAL MATERIALS SCIENCE CENTER
AND THE SCHOOL OF PHYSICS, ASTRONOMY, & COMPUTATIONAL SCIENCES
                            (CSI 898-Sec 001)
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     Atomistic simulation of thermodynamic, kinetic and mechanical 
                   properties of materials
  
                       Zachary Trautt
  National Institute of Standards and Technology, Gaithersburg, MD 

From nanostructures to microstructures, atomistic simulation can give
tremendous insight into atomic-scale mechanisms responsible for
interesting material phenomena. Grain boundaries play a critical role in
determining the structure/property relationship of structural metals.
During thermomechanical processing, grain boundaries evolve and grains can
rotate. We use atomistic simulation to better understand these phenomena.
We discuss the mechanisms shear-coupled grain boundary motion and its
relationship to grain rotation. We find a rich variety of mechanisms
enable the motion of shear-coupled grain boundaries, including dislocation
glide, dissociation/recombination, and avoidance. We conclude with a
summary of open challenges of the field and for this technique.

                          September 16, 2013
                               4:30 pm
                    Room 3301, Exploratory Hall, Fairfax Campus

Refreshments will be served at 4:15 PM.
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Find the schedule at http://www.cmasc.gmu.edu/seminars.htm