Large-scale molecular dynamics simulations of shock-induced plasticity, phase transformations, and detonation

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Description

Modern computers enable routine multimillion-atom molecular dynamics simulations of shock propagation in solids using realistic interatomic potentials, and offer a direct insight into the atomistic processes underlying plasticity, phase transformations, and the detonation of energetic materials. Past, present, and prospects for future simulations will be discussed in the context of prototypical systems for each of these three classes of problems. Initial samples ranging from perfect single crystals, to those with specific isolated defects, to full-fledged polycrystalline materials will be considered.

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5 p.

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Germann, T. C. (Timothy C.) June 1, 2001.

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Description

Modern computers enable routine multimillion-atom molecular dynamics simulations of shock propagation in solids using realistic interatomic potentials, and offer a direct insight into the atomistic processes underlying plasticity, phase transformations, and the detonation of energetic materials. Past, present, and prospects for future simulations will be discussed in the context of prototypical systems for each of these three classes of problems. Initial samples ranging from perfect single crystals, to those with specific isolated defects, to full-fledged polycrystalline materials will be considered.

Physical Description

5 p.

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  • "Submitted to: Schock Compression of Condensed Matter 2001, AIP Conference Proceedings, New York, 2002."

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  • Report No.: LA-UR-01-3562
  • Grant Number: none
  • Office of Scientific & Technical Information Report Number: 975605
  • Archival Resource Key: ark:/67531/metadc928713

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Office of Scientific & Technical Information Technical Reports

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Creation Date

  • June 1, 2001

Added to The UNT Digital Library

  • Nov. 13, 2016, 7:26 p.m.

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  • Dec. 12, 2016, 4:19 p.m.

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Germann, T. C. (Timothy C.). Large-scale molecular dynamics simulations of shock-induced plasticity, phase transformations, and detonation, article, June 1, 2001; United States. (digital.library.unt.edu/ark:/67531/metadc928713/: accessed September 23, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.