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Crystal Mechanics and Experiments

National Laboratories:Lawrence Livermore
Computational Tools:Structure-Properties

Lawrence Livermore National Laboratory provides classical crystal plasticity models for cubic and hexagonal symmetry materials, which includes treatment of both dislocation-glide- and twinning-based deformation mechanisms.

Unique Aspects

LLNL’s large-scale computing facilitates dislocation dynamics for predicting strength and hardening with code capability that scales to platforms that are sufficiently large enough to make predictions of macroscale relevance. The laboratory also has emerging capabilities to do direct numerical simulation for analyzing the influence of precipitates and can conduct high-energy diffraction microscopy experiments with expertise in both near-field (for spatially resolved lattice orientations) and far-field (for lattice strains) methods and the ability to instantiate models of as-measured microstructures. LLNL also offers expertise in combining diffraction microscopy and tomography data into constitutive models.


  • N. R. Barton, J. V. Bernier, and J. K. Edmiston. Bringing together computational and experimental capabilities at the crystal scale. AIP Conference Proceedings, 1195:73–78, 2009.
  • N. R. Barton, A. Arsenlis, and J. Marian. A polycrystal plasticity model of strain localization in irradiated iron. Journal of the Mechanics and Physics of Solids, 61(2):341–351, 2013.
  • N. R. Barton and J. V. Bernier. A method for intragranular orientation and lattice strain distribution determination. Journal of Applied Crystallography, 45:1145–1155, 2012.

Information Link(s)


Nathan Barton