| Multimillion-To-Billion Atom Molecular Dynamics Simulations of Deformation, Fracture and Nanoindentation in Silica Glass |
Rajiv K. Kalia, Aiichiro Nakano, and Priya Vashisht
Collaboratory for Advanced Computing and Simulations
University of Southern California, Los Angeles, CA 90089-0242, USA
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| Cavitation is a ubiquitous form of damage in the ductile fracture of metallic alloys. However, recent Atomic Force Microscopy studies of stress corrosion cracking and molecular dynamics (MD) simulations of dynamic fracture reveal that the key damage mechanism during crack extension in “brittle” glasses also involves cavitation, albeit at the nanometer scale. In this talk, I will present results of our multimillion-to-billion atom MD simulations on: (1) nucleation, growth and coalescence of damage nanocavities in dynamic fracture of amorphous silica; (2) deformation and breakup mechanisms for nanovoids in shearing silica glass; and (3) defect migration and recombination in nanoindentation of amorphous silica. |
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