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

Conference · Thu Jul 14 00:00:00 EDT 2022

DOI:https://doi.org/10.2172/2004049· OSTI ID:2004049

Lane, James Matthew D. ^[1]; Cusentino, Mary Alice ^[1]; Nebgen, Ben ^[2]; Barros, Kipton M. ^[2]; Shimanek, John D. ^[3]; Allen, Alice ^[2]; Thompson, Aidan P. ^[1]; Fensin, Saryu J. ^[2]

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1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2. Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
3. Pennsylvania State Univ., University Park, PA (United States)

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.

• Research Organization: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA)
• DOE Contract Number: NA0003525
• OSTI ID: 2004049
• Report Number(s): SAND2022--9575C; 708245
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE