Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
Shock-induced shear bands in an energetic molecular crystal: Application of shock-front absorbing boundary conditions to molecular dynamics simulations
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journal
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July 2008 |
Assessment of Dispersion Corrected Atom Centered Pseudopotentials: Application to Energetic Molecular Crystals
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journal
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February 2011 |
Determination of second-order elastic constants of cyclotetramethylene tetranitramine (β-HMX) using impulsive stimulated thermal scattering
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journal
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September 2009 |
Relationship Between RDX Properties and Sensitivity
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journal
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February 2008 |
Elastic–plastic wave profiles in cyclotetramethylene tetranitramine crystals
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journal
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July 2004 |
Performance of dispersion-corrected density functional theory for the interactions in ionic liquids
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journal
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January 2012 |
Isothermal−Isobaric Molecular Dynamics Simulations of 1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane (HMX) Crystals
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journal
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August 1998 |
A simple model of atomic interactions in noble metals based explicitly on electronic structure
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journal
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July 2001 |
Second-order elastic constants for the Lennard-Jones solid
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journal
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April 1984 |
Explosives under pressure—the crystal structure of γ-RDX as determined by high-pressure X-ray and neutron diffraction
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journal
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January 2008 |
Density functional theory for calculation of elastic properties of orthorhombic crystals: Application to TiSi2
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journal
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November 1998 |
Polarizable and Nonpolarizable Force Fields for Alkyl Nitrates
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journal
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January 2008 |
Modeling the Anisotropic Deformation Response of β-HMX Molecular Crystals
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journal
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May 2011 |
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
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journal
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April 2005 |
Reduced Sensitivity RDX (RS-RDX) in Pressed Formulations: Respective Effects of Intra-Granular Pores, Extra-Granular Pores and Pore Sizes
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journal
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February 2008 |
Monte Carlo calculations of the elastic moduli and pressure-volume-temperature equation of state for hexahydro-1,3,5-trinitro-1,3,5-triazine
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journal
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July 2000 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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journal
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April 2010 |
Effect of the damping function in dispersion corrected density functional theory
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journal
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March 2011 |
Pressure dependent elastic constants of alpha and gamma cyclotrimethylene trinitramine: A quantum mechanical study
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journal
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August 2014 |
Comparison of constitutive models for plastic-bonded explosives
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journal
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December 2007 |
A quantum mechanical calculation of the elastic constants of monovalent metals
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journal
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February 1936 |
Atomic structure of (111) twist grain boundaries in f.c.c metals
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journal
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February 1990 |
A comparative evaluation of elasticity in pentaerythritol tetranitrate using Brillouin scattering and resonant ultrasound spectroscopy
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journal
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September 2010 |
Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations
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journal
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May 1990 |
Performance of the van der Waals Density Functional VV10 and (hybrid)GGA Variants for Thermochemistry and Noncovalent Interactions
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journal
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October 2011 |
Simulations of High-Pressure Phases in RDX
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journal
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April 2011 |
Perspective: Fifty years of density-functional theory in chemical physics
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journal
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May 2014 |
Comparison of Deformation and Shock Reactivity for Single Crystals of RDX and Ammonium Perchlorate
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journal
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January 1992 |
Theoretical tensile stress in tungsten single crystals by full-potential first-principles calculations
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journal
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August 1997 |
A molecular dynamics simulation study of elastic properties of HMX
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journal
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October 2003 |
Temperature dependence of the elastic constants of Ni: reliability of EAM in predicting thermal properties
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journal
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July 1997 |
Polymorphic transitions in single crystals: A new molecular dynamics method
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journal
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December 1981 |
Hot spots on rubbing surfaces and the detonation of explosives by friction
- Bowden, Frank Philip; Stone, M. A.; Tudor, G. K.
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Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 188, Issue 1014, p. 329-349
https://doi.org/10.1098/rspa.1947.0012
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journal
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February 1947 |
Elastic and thermoelastic properties of selected organic crystals: acenaphthene, trans-azobenzene, benzophenone, tolane, trans-stilbene, dibenzyl, diphenyl sulfone, 2,2´-biphenol, urea, melamine, hexogen, succinimide, pentaerythritol, urotropine, malonic acid, dimethyl malonic acid, maleic acid, hippuric acid, aluminium acetylacetonate, iron acetylacetonate, and tetraphenyl silicon
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journal
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January 2001 |
A Transferable Intermolecular Potential for Nitramine Crystals
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journal
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October 1998 |
Isothermal equations of state of beta octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine at high temperatures
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journal
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March 2005 |
Dispersion corrections to density functionals for water aromatic interactions
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journal
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February 2004 |
A molecular dynamics simulation study of crystalline 1,3,5-triamino-2,4,6-trinitrobenzene as a function of pressure and temperature
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journal
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December 2009 |
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
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journal
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January 2006 |
Second-order elastic constants of pentaerythritol tetranitrate and cyclotrimethylene trinitramine using impulsive stimulated thermal scattering
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journal
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January 2008 |
Molecular Packing and NPT-Molecular Dynamics Investigation of the Transferability of the RDX Intermolecular Potential to 2,4,6,8,10,12-Hexanitrohexaazaisowurtzitane
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journal
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February 1998 |
Numerical and experimental study of the plasticity of HMX during a reverse edge-on impact test
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journal
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April 2013 |
Fitting forms for isothermal data
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journal
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October 2001 |
On the Importance of the Dispersion Energy for the Thermodynamic Stability of Molecules
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journal
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March 2011 |
System-Dependent Dispersion Coefficients for the DFT-D3 Treatment of Adsorption Processes on Ionic Surfaces
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journal
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October 2011 |
Quantum Chemistry Based Force Field for Simulations of HMX
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journal
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May 1999 |
Perspective on density functional theory
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journal
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April 2012 |
The elastic constants and related properties of the energetic material cyclotrimethylene trinitramine (RDX) determined by Brillouin scattering
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journal
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January 2006 |
The elastic tensor of single crystal RDX determined by Brillouin spectroscopy
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journal
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November 2014 |
Self-consistent modeling of the influence of texture on thermal expansion in polycrystalline TATB
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journal
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September 2014 |
Strain fluctuations and elastic constants
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journal
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March 1982 |
A course of lectures on natural philosophy and the mechanical arts
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book
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January 1845 |
Constituent properties of HMX needed for mesoscale simulations
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journal
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March 2002 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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journal
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March 1995 |
Molecular Scattering of Light
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book
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January 1968 |
Molecular Dynamics Simulations of HMX Crystal Polymorphs Using a Flexible Molecule Force Field
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conference
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January 2002 |
In situ investigation of the dynamic response of energetic materials using IMPULSE at the Advanced Photon Source
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journal
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May 2014 |
Theoretical study of phonon density of states, thermodynamic properties and phase transitions for HMX
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journal
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June 2014 |
Second-order elastic constants for pentaerythritol tetranitrate single crystals
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journal
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August 2001 |
Pentaerythritol tetranitrate II: its crystal structure and transformation to PETN I; an algorithm for refinement of crystal structures with poor data
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journal
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July 1975 |
Resonant ultrasound spectroscopic techniques for measurement of the elastic moduli of solids
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journal
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January 1993 |
Photoacoustic determination of the speed of sound in single crystal cyclotrimethylene trinitramine at acoustic frequencies from 0.5 to 15 GHz
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journal
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December 2011 |
Resonant ultrasound spectroscopy measurement of the elastic constants of cyclotrimethylene trinitramine
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journal
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September 2005 |
Adiabatic heating at a dislocation pile-up avalanche
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journal
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December 1982 |
Hydrogen Bonding and Molecular Rearrangement in 1,3,5-Triamino-2,4,6-trinitrobenzene under Compression
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journal
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October 2011 |
Anomalous shock initiation of detonation in pentaerythritol tetranitrate crystals
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journal
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January 1997 |
Elastic-plastic shock wave profiles in oriented single crystals of cyclotrimethylene trinitramine (RDX) at 2.25GPa
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journal
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July 2006 |
First-principles investigation of anisotropic constitutive relationships in pentaerythritol tetranitrate
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journal
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March 2008 |
The crystal structure of cyclotrimethylenetrinitramine
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journal
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September 1972 |
The Riemann problem for fluid flow of real materials
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journal
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January 1989 |
High Pressure Raman Spectroscopy of Single Crystals of Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX)
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journal
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April 2007 |
Homogeneous dislocation nucleation in cyclotrimethylene trinitramine under shock loading
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journal
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March 2010 |
Laser induced phonons: A probe of intermolecular interactions in molecular solids
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journal
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May 1980 |
Effect of crystal orientation on shock initiation sensitivity of pentaerythritol tetranitrate explosive
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journal
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May 1984 |
Gas gun shock experiments with single-pulse x-ray phase contrast imaging and diffraction at the Advanced Photon Source
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journal
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July 2012 |
Interatomic Forces in Condensed Matter
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book
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October 2003 |
Equation of State and the Thermal Dependence of the Elastic Coefficients of Crystalline Argon
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journal
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April 1955 |
Separable dual-space Gaussian pseudopotentials
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journal
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July 1996 |
The elastic constants and related properties of β-HMX determined by Brillouin scattering
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journal
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May 2005 |
Elastic Properties of Molecular Crystals Using Density Functional Calculations
- Zhao, Jijun
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SHOCK COMPRESSION OF CONDENSED MATTER - 2003: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings
https://doi.org/10.1063/1.1780270
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conference
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January 2004 |
Comparison of the performance of dispersion-corrected density functional theory for weak hydrogen bonds
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journal
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January 2011 |
Accurate prediction of second-order elastic constants from first principles: PETN and TATB
- Valenzano, Loredana; Slough, William J.; Perger, Warren
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SHOCK COMPRESSION OF CONDENSED MATTER - 2011: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings
https://doi.org/10.1063/1.3686493
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conference
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January 2012 |
Structures, Mechanical Properties, Equations of State, and Electronic Properties of β-HMX under Hydrostatic Pressures: A DFT-D2 study
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journal
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January 2014 |
Initiation of Explosion in AgN3 and β-PbN6 Single Crystals by a Collapsing Bubble
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journal
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November 1968 |
Time-Resolved Spectroscopic Measurements of Shock-Wave Induced Decomposition in Cyclotrimethylene Trinitramine (RDX) Crystals: Anisotropic Response
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journal
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November 2010 |
Defect evolution and pore collapse in crystalline energetic materials
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journal
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February 2009 |
Anomalous hardening under shock compression in (021)-oriented cyclotrimethylene trinitramine single crystals
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journal
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September 2010 |
Elasticity of coesite
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journal
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March 1977 |
Ultrafast, high resolution, phase contrast imaging of impact response with synchrotron radiation
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journal
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March 2012 |
Intermolecular Potential for the Hexahydro-1,3,5-trinitro-1,3,5- s -triazine Crystal (RDX): A Crystal Packing, Monte Carlo, and Molecular Dynamics Study
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journal
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January 1997 |
Crystal orientation dependence of elastic precursor strength in pentaerythritol tetranitrate
|
conference
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January 1994 |