Bringing Together Computational and Experimental Capabilities at the Crystal Scale
Many phenomena of interest occur at the scale of crystals or are controlled be events happening at the crystalline scale. Examples include allotropic phase transformations in metals and pore collapse in energetic crystals. The research community is increasingly able to make detailed experimental observations at the crystalline scale and to inform crystal scale models using lower length scale computational tools. In situ diffraction techniques are pushing toward finer spatial and temporal resolution. Molecular and dislocation dynamics calculations are now able to directly inform mechanisms at the crystalline scale. Taken together, these factors give crystal based continuum models the ability to rationalize experimental observations, investigate competition among physical processes, and, when appropriately formulated and calibrated, predict behaviors. We will present an overview of current efforts, with emphasis on recent work investigating phase transformations and twinning in metals.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 962802
- Report Number(s):
- LLNL-CONF-415155; TRN: US200916%%383
- Resource Relation:
- Conference: Presented at: Shock Compression of Condensed Matter 2009, Nashville, TN, United States, Jun 28 - Jul 03, 2009
- Country of Publication:
- United States
- Language:
- English
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