Related references
Note: Only part of the references are listed.Thermal conductivity of energetic materials
Zachary D. Lawless et al.
JOURNAL OF ENERGETIC MATERIALS (2020)
Dislocation energy and line tension in molecular crystal cyclotetramethylene tetranitramine (β-HMX)
Mohammad Khan et al.
JOURNAL OF APPLIED PHYSICS (2020)
Forging of Hierarchical Multiscale Capabilities for Simulation of Energetic Materials
Brian C. Barnes et al.
PROPELLANTS EXPLOSIVES PYROTECHNICS (2020)
Decomposition of HMX in solid and liquid states under nanoconfinement
Rozana Bari et al.
THERMOCHIMICA ACTA (2020)
Highly scalable discrete-particle simulations with novel coarse-graining: accessing the microscale
Timothy I. Mattox et al.
MOLECULAR PHYSICS (2018)
Density Functional Tight Binding Calculations for the Simulation of Shocked Nitromethane with LATTE-LAMMPS
Romain Perriot et al.
SHOCK COMPRESSION OF CONDENSED MATTER - 2017 (2018)
Thermodynamics of HMX Polymorphs and HMX/RDX Mixtures
Philip C. Myint et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2017)
Molecular simulation of caloric properties of fluids modelled by force fields with intramolecular contributions: Application to heat capacities
William R. Smith et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Equations of state for the α and γ polymorphs of cyclotrimethylene trinitramine
M. J. Cawkwell et al.
JOURNAL OF APPLIED PHYSICS (2016)
RDX Compression, α→ γPhase Transition, and Shock Hugoniot Calculations from Density-Functional-Theory-Based Molecular Dynamics Simulations
Dan C. Sorescu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Molecular Simulations of the Thermophysical Properties of Polyethylene Glycol Siloxane (PEGS) Solvent for Precombustion CO2 Capture
Wei Shi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
First principles phonon calculations in materials science
Atsushi Togo et al.
SCRIPTA MATERIALIA (2015)
Molecular Modeling of the Volumetric and Thermodynamic Properties of Kerogen: Influence of Organic Type and Maturity
Philippe Ungerer et al.
ENERGY & FUELS (2015)
Assessing the Performances of Dispersion-Corrected Density Functional Methods for Predicting the Crystallographic Properties of High Nitrogen Energetic Salts
Dan C. Sorescu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Investigation of direct and indirect phonon-mediated bond excitation in α-RDX
B. Kraczek et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Experimental and DFT-D Studies of the Molecular Organic Energetic Material RDX
Steven Hunter et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
A comparison of methods for melting point calculation using molecular dynamics simulations
Yong Zhang et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Vibrational and thermodynamic properties of β-HMX: A first-principles investigation
Zhongqing Wu et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
ReaxFF-/g: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials
Lianchi Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Assessment of Dispersion Corrected Atom Centered Pseudopotentials: Application to Energetic Molecular Crystals
Radhakrishnan Balu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Simulations of High-Pressure Phases in RDX
Lynn B. Munday et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Pressure-cooking of explosives-the crystal structure of epsilon-RDX as determined by X-ray and neutron diffraction
David I. A. Millar et al.
CHEMICAL COMMUNICATIONS (2010)
Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions
Fuyuki Shimojo et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Phase Diagram of Hexahydro-1,3,5-trinitro-1,3,5-triazine Crystals at High Pressures and Temperatures
Zbigniew A. Dreger et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Theoretical Predictions of Energetic Molecular Crystals at Ambient and Hydrostatic Compression Conditions Using Dispersion Corrections to Conventional Density Functionals (DFT-D)
Dan C. Sorescu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Explosives under pressure - the crystal structure of gamma-RDX as determined by high-pressure X-ray and neutron diffraction
Alistair J. Davidson et al.
CRYSTENGCOMM (2008)
Shock-induced shear bands in an energetic molecular crystal: Application of shock-front absorbing boundary conditions to molecular dynamics simulations
M. J. Cawkwell et al.
PHYSICAL REVIEW B (2008)
The Low-Temperature High-Pressure Phase Diagram of Energetic Materials: I. Hexahydro-1,3,5-Trinitro-s-Triazine
Jennifer A. Ciezak et al.
PROPELLANTS EXPLOSIVES PYROTECHNICS (2008)
Comparison of constitutive models for plastic-bonded explosives
Ralph Menikoff
COMBUSTION THEORY AND MODELLING (2008)
Atomic-level view of inelastic deformation in a shock loaded molecular crystal
Eugenio Jaramillo et al.
PHYSICAL REVIEW B (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Molecular dynamics simulations of melting of perfect crystalline hexahydro-1,3,5-trinitro-1,3,5-s-triazine
Lianqing Zheng et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Molecular dynamics simulations of melting and the glass transition of nitromethane
L Zheng et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Nonequilibrium melting and crystallization of a model Lennard-Jones system
SN Luo et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A molecular dynamics simulation study of elastic properties of HMX
TD Sewell et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
The General Utility Lattice Program (GULP)
JD Gale et al.
MOLECULAR SIMULATION (2003)
Compaction wave profiles: Simulations of gas gun experiments
R Menikoff
JOURNAL OF APPLIED PHYSICS (2001)
Simulation of isoenthalps and Joule-Thomson inversion curves of pure fluids and mixtures
FA Escobedo et al.
MOLECULAR SIMULATION (2001)