Session U2: First Principles and Molecular Dynamics Calculations V

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Chair: D. Scott Stewart, University of Illinois at Urbana-Champaign
Fairmont Orchid Hotel - Amphitheater


Friday, June 29, 2007
8:00AM - 8:15AM

U2.00001: Energetic materials under thermal shock: Molecular dynamics simulation with reactive force field
Yi Liu , Sergey Zybin , Adri van Duin , William Goddard

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Friday, June 29, 2007
8:15AM - 8:30AM

U2.00002: Energetic materials under mechanical shock and shear: Molecular dynamics simulation with reactive force field
Sergey Zybin , Peng Xu , Adri van Duin , William Goddard

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Friday, June 29, 2007
8:30AM - 8:45AM

U2.00003: First-principles reactive molecular dynamics of initiation chemistry in energetic materials
Aaron Landerville , Ivan Oleynik , Mortko Kozhushner , Carter White

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Friday, June 29, 2007
8:45AM - 9:00AM

U2.00004: Theoretical studies of shock-induced plastic deformation and phase transformations in RDX
Marc Cawkwell , Thomas Sewell

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Friday, June 29, 2007
9:00AM - 9:15AM

U2.00005: A semi-metallic layer in detonating nitromethane
Evan Reed , Riad Manaa , Laurence Fried , Kurt Glaesemann , John Joannopoulos

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Friday, June 29, 2007
9:15AM - 9:30AM

U2.00006: Atomistic Simulations of Detonation Instabilities in Condensed Phase Systems
Edward Kober , Andrew Heim , Timothy Germann , Niels Jensen

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