Digital Repository, ICF12, Ottawa 2009

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Atomic-scale Deformation Kinematics for Bicrystal Grain Boundaries under Shear Loading
G.J. Tucker, D.L. McDowell, J.A. Zimmerman

Last modified: 2012-10-03


This research utilizes a method for calculating an atomic-scale deformationgradient within the framework of continuum mechanics using atomisticsimulations to examine bicrystal grain boundaries subjected to shear loading. Wecalculate the deformation gradient, its rotation tensor from polar decomposition,and estimates of lattice curvature and vorticity for thin equilibrium bicrystalgeometries deformed at low temperature. These simulations reveal pronounceddeformation fields that exist in small regions surrounding the grain boundary, anddemonstrate the influence of interfacial structure on mechanical behavior for thethin models investigated. Our results also show that more profound insight isgained concerning inelastic grain boundary phenomena by analyzing thedeformed structures with regard to these continuum mechanical metrics.

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