Session Index

Session Q1: MD-4: Molecular Dynamics IV - Energetic Materials

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Abstracts
Chair: Mark Elert, U. S. Naval Academy
Room: Tennessee Ballroom C


Wednesday, July 1, 2009
9:30AM - 9:45AM

 Q1.00001: Compressive shear reactive dynamics to evaluate the anisotropic sensitivity of single-crystal energetic materials
Sergey Zybin , Peng Xu , Yi Liu , William Goddard III

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Wednesday, July 1, 2009
9:45AM - 10:00AM

 Q1.00002: Initiation of PETN decomposition under shock compression: Reactive molecular dynamics simulation
Peng Xu , Sergey Zybin , Aidan Thompson , Joanne Budzien , William Goddard III

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Wednesday, July 1, 2009
10:00AM - 10:15AM

 Q1.00003: Novel Catalytic Behavior of Water in High Explosive Decomposition
Laurence Fried , Christine Wu , Lin Yang , Nir Goldman , Sorin Bastea

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Wednesday, July 1, 2009
10:15AM - 10:30AM

 Q1.00004: Ab initio molecular dynamics simulations on sensitivity of nitrogen-rich poly-tetrazolo energetic compounds
Anguang Hu , Fan Zhang

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Wednesday, July 1, 2009
10:30AM - 10:45AM

 Q1.00005: Hypervelocity reactive dynamics in detonating PETN, RDX, and HMX energetic materials
Aaron Landerville , Ivan Oleynik , Carter White

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Wednesday, July 1, 2009
10:45AM - 11:00AM

 Q1.00006: First-principles investigation of reactive molecular dynamics in detonating TATB
Ivan Oleynik , Aaron Landerville , Carter White

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Wednesday, July 1, 2009
11:00AM - 11:30AM

 Q1.00007: Shock and detonation processes studied at the nanoscale
Invited Speaker: Jean-Bernard Maillet

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Wednesday, July 1, 2009
11:30AM - 11:45AM

 Q1.00008: Eckart-Sayvetz Alignment: A Useful Tool for the Analysis of Molecular-Scale Simulation Data for Studies of Material Under ExtremeThermodynamic Conditions
Thomas D. Sewell , Richard Dawes , Ali Siavosh-Haghighi , Donald L. Thompson

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Wednesday, July 1, 2009
11:45AM - 12:00PM

 Q1.00009: Shock Compression Calculation of RDX and PETN Molecular Crystals Using the Hugoniostat Method
Alexander Selezenev , Alexey Aleynikov , Nikolay Ganchuk , Pavel Ermakov , Sergey Ganchuk , John Aidun , Aidan Thompson

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