Focus Session: Simulations of Matter at Extreme Conditions III: Classical MD, Potentials, and Energetic Materials
FOCUS · H13 ·
Presentations
-
Theoretical Approach for Developing Accurate Potentials for Molecular Dynamics Simulations: Thermoelastic Response of Aluminum
ORAL
–
Authors
-
J.M. Winey
- Wash. State Univ.
-
A. Kubota
- Lawrence Livermore Nat. Lab.
-
Y.M. Gupta
- Wash. State Univ.
-
-
Petaflop simulations of shock-induced particulate ejection from copper
ORAL
–
Authors
-
Timothy C. Germann
- Los Alamos National Laboratory
-
Jim Hammerberg
- Los Alamos National Laboratory
- Los Alamos National Lab
-
Guy Dimonte
- Los Alamos National Laboratory
-
-
Interatomic bond-order potentials for molecular dynamics simulations of materials at extreme conditions
ORAL
–
Authors
-
Romain Perriot
- University of South Florida
-
Mikalai Budzevich
- University of South Florida
-
Ivan Oleynik
- University of South Florida
-
-
Interatomic Potentials for Large-Scale Simulations of High-Pressure, High-Temperature Phenomena
COFFEE_KLATCH · Invited
–
Authors
-
Ramon Ravelo
- University of Texas, El Paso
- University of Texas at El Paso; Applied Physics Division, Los Alamos National Laboratory
-
-
Ultrafast semi-metallic layer formation in detonating nitromethane
ORAL
–
Authors
-
Evan Reed
- Lawrence Livermore National Laboratory
-
M. Riad Manaa
- Lawrence Livermore National Laboratory
-
Laurence Fried
- Lawrence Livermore National Laboratory
-
Kurt Glaesemann
- Lawrence Livermore National Laboratory
-
John Joannopoulos
- Massachusetts Institute of Technology
-
-
Reactive Molecular Dynamics Studies of Thermal Induced Chemistry in HMX
ORAL
–
Authors
-
Jason Quenneville
- Los Alamos National Laboratory
-
Timothy C. Germann
- Los Alamos National Laboratory
-
Thomas Sewell
- Los Alamos National Laboratory
-
Edward Kober
- Los Alamos National Laboratory
-
-
Anisotropic Constitutive Relationships in Energetic Materials: TATB
ORAL
–
Authors
-
Mikalai M. Budzevich
- University of South Florida
-
Aaron Landerville
- University of South Florida
-
Michael Conroy
- University of South Florida
-
Ivan Oleynik
- University of South Florida
-
Carter White
- Naval Research Laboratory
-
-
First-Principles Reactive Molecular Dynamics of Chemistry in Detonating Energetic Materials
ORAL
–
Authors
-
Aaron Landerville
- University of South Florida
-
Ivan Oleynik
- University of South Florida
-
Mortko Kozhushner
- Russian Academy of Sciences
- Institute of Chemical Physics, RAS
-
Carter White
- Naval Research Laboratory
-
-
Reactive MD simulations of anisotropic response of PETN under high-rate shear deformation
ORAL
–
Authors
-
Xu Peng
- California Institute of Technology
-
Sergey Zybin
- California Institute of Technology
-
Aidan P. Thompson
- Sandia National Laboratories
- Sandia National Lab
-
William A. Goddard
- California Institute of Technology
- Division of Chemistry and Chemical Engineering, Caltech, Pasadena, CA 91125
-
-
First-Principles Constitutive Relationships in PETN and HMX under Hydrostatic and Uniaxial Compressions
ORAL
–
Authors
-
Sergey Zybin
- California Institute of Technology
-
Michael Conroy
- University of South Florida
-
Ivan Oleynik
- University of South Florida
-
Carter White
- Naval Research Laboratory
-
-
Reactive molecular dynamics simulations of shocked PETN
ORAL
–
Authors
-
Joanne Budzien
- Sandia National Laboratories, Albuquerque, NM 87185
- Sandia National Laboratories
-
Aidan P. Thompson
- Sandia National Laboratories
- Sandia National Lab
-
Sergey Zybin
- California Institute of Technology
-