Molecular dynamics simulations of shock waves in hydroxyl-terminated polybutadiene melts: Mechanical and structural responses

Hot spot and temperature analysis of shocked hydrocarbon polymer foams using molecular dynamics simulation

(2013) J. Matthew D. Lane et al.   COMPUTATIONAL MATERIALS SCIENCE

Molecular dynamics simulations of shock waves in cis-1,4-polybutadiene melts

(2013) Lan He et al.   JOURNAL OF APPLIED PHYSICS

Shock compression of hydrocarbon foam to 200 GPa: Experiments, atomistic simulations, and mesoscale hydrodynamic modeling

(2013) Seth Root et al.   JOURNAL OF APPLIED PHYSICS

Post-shock relaxation in crystalline nitromethane

(2013) Luis A. Rivera-Rivera et al.   JOURNAL OF CHEMICAL PHYSICS

Pivot Algorithm and Push-off Method for Efficient System Generation of All-Atom Polymer Melts: Application to Hydroxyl-Terminated Polybutadiene

(2013) Markus G. Fröhlich et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Shock Hugoniot calculations of polymers using quantum mechanics and molecular dynamics

(2012) Tanya L. Chantawansri et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations of shock waves in oriented nitromethane single crystals: Plane-specific effects

(2012) Lan He et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular-level computational investigation of shock-wave mitigation capability of polyurea

(2012) M. Grujicic et al.   JOURNAL OF MATERIALS SCIENCE

Implementing molecular dynamics on hybrid high performance computers – Particle–particle particle-mesh

(2011) W. Michael Brown et al.   COMPUTER PHYSICS COMMUNICATIONS

Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading

(2011) B. Arman et al.   JOURNAL OF APPLIED PHYSICS

Molecular dynamics simulations of shock waves in oriented nitromethane single crystals

(2011) Lan He et al.   JOURNAL OF CHEMICAL PHYSICS

Shock-Induced Inelastic Deformation in Oriented Crystalline Pentaerythritol Tetranitrate

(2011) Reilly M. Eason et al.   Journal of Physical Chemistry C

Elucidation of the dynamics for hot-spot initiation at nonuniform interfaces of highly shocked materials

(2011) Qi An et al.   PHYSICAL REVIEW B

Implementing molecular dynamics on hybrid high performance computers – short range forces

(2010) W. Michael Brown et al.   COMPUTER PHYSICS COMMUNICATIONS

Anomalous hardening under shock compression in (021)-oriented cyclotrimethylene trinitramine single crystals

(2010) K. J. Ramos et al.   JOURNAL OF APPLIED PHYSICS

Homogeneous dislocation nucleation in cyclotrimethylene trinitramine under shock loading

(2010) M. J. Cawkwell et al.   JOURNAL OF APPLIED PHYSICS

First-principles and classical molecular dynamics simulation of shocked polymers

(2010) Thomas R. Mattsson et al.   PHYSICAL REVIEW B

Electronic structure and molecular dynamics of breaking the RO–NO2 bond

(2009) Igor V. Schweigert et al.   JOURNAL OF CHEMICAL PHYSICS

Shock-induced melting of (100)-oriented nitromethane: Structural relaxation

(2009) Ali Siavosh-Haghighi et al.   JOURNAL OF CHEMICAL PHYSICS

A molecular dynamics simulation study of the pressure-volume-temperature behavior of polymers under high pressure

(2009) Justin B. Hooper et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics study of the repulsive form influence of the interaction potential on structural, thermodynamic, interfacial, and transport properties

(2008) Guillaume Galliero et al.   JOURNAL OF CHEMICAL PHYSICS

Shock Wave Induced Decomposition of RDX: Time-Resolved Spectroscopy

(2008) James E. Patterson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Shock Wave Induced Decomposition of RDX: Quantum Chemistry Calculations

(2008) Maosheng Miao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Shock-induced shear bands in an energetic molecular crystal: Application of shock-front absorbing boundary conditions to molecular dynamics simulations

(2008) M. J. Cawkwell et al.   PHYSICAL REVIEW B

Molecular dynamics simulations of detonation instability

(2008) Andrew J. Heim et al.   PHYSICAL REVIEW E

Ultrafast dynamics of heat flow across molecules

(2007) Zhaohui Wang et al.   CHEMICAL PHYSICS