Publications Details

Molecular Dynamics of High Pressure Tin Phases I: Strength and deformation evaluations of empirical potentials [Slides]

Lane, James M.; Cusentino, Mary A.; Nebgen, Ben; Barros, Kipton M.; Shimanek, John D.; Allen, Alice; Thompson, Aidan P.; Fensin, Saryu J.

Multi-phase problems have so many more unknowns, we’d like to have a tool to constrain some open questions related to microstructure and twin & dislocation behavior. We want an atomistic scale perspective on aspects of strength. Some multi-scale questions accessible to atomistic study: What lattice-specific behavior influences dislocation production/mobility and/or twinning? Do the phase transformations wipe-out, modify or preserve grain size and orientation? Does plastic strain reset at phase transition? If so under what conditions? Tin is the material chosen for the effort because it is non-hazardous and has multiple accessible solid phases at relatively low pressures.