The development of novel experimental facilities such as the National Ignition Facility has allowed materials to be driven to extraordinary states of high pressure and high deformation rates. Pressures many million times greater than atmospheric pressure may be attained, altering the quantum mechanical bonding of the atoms. Properties of materials under these extreme conditions have never been studied before. We are using large-scale molecular dynamics (MD) simulations coupled closely to experimental efforts in order to understand the mechanical properties of materials under these extreme conditions.
- Large-scale quantum-based molecular dynamics and continuum theory have been used to determine the relaxation time scale for plasticity.
- Recent result: MD has been used to explain anomalous experimental data from in-situ x-ray diffraction on Ta.
- People: Rudd, Richards, Comley, Hawreliak, Maddox, Park, Remington; Brickner, Ross (NSTec)
R.E. Rudd et al., "Metal Deformation and Phase Transitions at Extremely High Strain Rates," MRS Bulletin 35, 999-1006 (2010).
R.E. Rudd, "High-rate Plastic Deformation of Nanocrystalline Tantalum to Large Strains: Molecular Dynamics Simulation," Mater. Sci. Forum 633-634, 3-19 (2010) (link to ). arXiv:0902.4491
R.E. Rudd et al., Proc. SCCM'11 (2011).