Phase field crystal study of deformation and plasticity in nanocrystalline materials.
We introduce a modified phase field crystal (MPFC) technique that self-consistently incorporates rapid strain relaxation alongside the usual plastic deformation and multiple crystal orientations featured by the traditional phase field crystal (PFC) technique. Our MPFC formalism can be used to study a host of important phase transformation phenomena in material processing that require rapid strain relaxation. We apply the MPFC model to study elastic and plastic deformations in nanocrystalline materials, focusing on the "reverse" Hall-Petch effect. Finally, we introduce a multigrid algorithm for efficient numerical simulations of the MPFC model.
Stefanovic
Peter
P
Department of Materials Science and Engineering and Brockhouse Institute for Materials Research, McMaster University, Hamilton, Ontario, Canada.
Haataja
Mikko
M
Provatas
Nikolas
N
D003198:Computer Simulation; D003461:Crystallography / Q000379:methods*; D055119:Elastic Modulus; D008420:Manufactured Materials / Q000032:analysis*; D008422:Materials Testing / Q000379:methods*; D008956:Models, Chemical; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D044367:Phase Transition