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References from ReaxFF Molecular Dynamics Simulation of Hydrostatic and Uniaxial Compression of Nitrate Energetic Materials. Local targets link to admitted publications; unresolved targets remain external evidence.
Thermal decomposition of RDX from reactive molecular dynamics
10.1063/1.1831277 · 2005 · External reference
Early chemistry in hot and dense nitromethane: Molecular dynamics simulations
10.1063/1.1724820 · 2004 · External reference
Thermal decomposition of the solid phase of nitromethane: Ab initio molecular dynamics simulations
10.1103/physrevlett.105.188302 · 2010 · External reference
Initial decay mechanism of the heated CL-20/HMX cocrystal: A case of the cocrystal mediating the thermal stability of the two pure components
10.1021/acs.jpcc.7b00698 · 2017 · External reference
Hot Spot Ignition Mechanisms for Explosives
10.1021/ar00023a002 · 1992 · External reference
Dynamic transition in the structure of an energetic crystal during chemical reactions at shock front prior to detonation
10.1103/physrevlett.99.148303 · 2007 · External reference
Shock response of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX): The C-N bond scission studied by molecular dynamics simulations
10.1063/1.5005804 · 2017 · External reference
Femtosecond laser-induced fragmentation and cluster formation studies of solid phase trinitrotoluene using time-of-flight mass spectrometry
10.1016/j.apsusc.2007.06.053 · 2007 · External reference
Modeling of high energy laser ignition of energetic materials
10.1063/1.2909271 · 2008 · External reference
Understanding limits of the thermal mechanism of laser initiation of energetic materials
10.1021/jp308633y · 2012 · External reference
Bond lengths and angles in pentaerythritol tetranitrate
10.1107/s0365110x6300178x · 1963 · External reference
Effect of crystal orientation on shock initiation sensitivity of pentaerythritol tetranitrate explosive
10.1063/1.94951 · 1984 · External reference
Shock response of pentaerythritol tetranitrate single crystals
10.1063/1.349253 · 1991 · External reference
Molecular mechanics modeling of shear and the crystal orientation dependence of the elastic precursor shock strength in pentaerythritol tetranitrate
10.1063/1.357576 · 1994 · External reference
Anomalous shock initiation of detonation in pentaerythritol tetranitrate crystals
10.1063/1.364201 · 1997 · External reference
Anisotropic shock sensitivity and detonation temperature of pentaerythritol tetranitrate single crystal
10.1063/1.373626 · 2000 · External reference
Elastic-plastic wave profiles in cyclotetramethylene tetranitramine crystals
10.1063/1.1757026 · 2004 · External reference
Analysis of wave profiles for single-crystal cyclotetramethylene tetranitramine
10.1063/1.1828602 · 2005 · External reference
Advances in science and technology of modern energetic materials: An overview
10.1016/j.jhazmat.2007.10.039 · 2008 · External reference
The sila-explosives Si(CH2N3)4 and Si(CH2ONO2)4: Silicon analogues of the common explosives pentaerythrityl tetraazide, C(CH2N3)4, and pentaerythritol tetranitrate, C(CH2ONO2)4
10.1021/ja071299p · 2007 · External reference
Influence of silicon on the detonation performance of energetic materials from first-principles molecular dynamics simulations
10.1021/acs.jpcc.8b08305 · 2018 · External reference
Highly shocked polymer bonded explosives at a nonplanar interface: Hot–spot formation leading to detonation
10.1021/jp404753v · 2013 · External reference
ReaxFF reactive molecular dynamics on silicon pentaerythritol tetranitrate crystal validates the mechanism for the colossal sensitivity
10.1039/c4cp03781b · 2014 · External reference
Explanation of the colossal detonation sensitivity of silicon pentaerythritol tetranitrate (Si-PETN) explosive
10.1021/ja809725p · 2009 · External reference
A comparison of the structure, synthesis, and properities of insensitive energetic compounds
10.1002/prep.201600032 · 2016 · External reference
High performance, low sensitivity: conflicting or compatible?
10.1002/prep.201500349 · 2016 · External reference
The relationship of impact sensitivity with structure of organic high explosives. II. polynitroaromatic explosives
10.1002/prep.19790040204 · 1979 · External reference
Sensitivity and performance of energetic materials
10.1002/prep.201500351 · 2016 · External reference
Crystal structure, packing analysis, and structural-sensitivity correlations of erythritol tetranitrate
10.1021/cg501362b · 2014 · External reference
Synthesis of an energetic nitrate ester
10.1002/ange.200803648 · 2008 · External reference
Structure of 1,2,3-propanetriol trinitrate (β modification), C3H5N3O9
10.1107/s0108270184010775 · 1984 · External reference
Analytical Characterization of Erythritol Tetranitrate, an Improvised Explosive
10.1111/1556-4029.13078 · 2016 · External reference
Characterization and analysis of tetranitrate esters
10.1002/prep.201100059 · 2012 · External reference
Characterization of erythritol tetranitrate physical properties
10.1002/prep.201400291 · 2015 · External reference
Eutectics of erythritol tetranitrate
10.1021/acs.jpcc.7b04667 · 2017 · External reference
Effects of nanoscale heterogeneities on the reactivity of shocked erythritol tetranitrate
10.1021/acs.jpcc.6b11543 · 2016 · External reference
Thermal decomposition of erythritol tetranitrate: A joint experimental and computational study
10.1021/acs.jpcc.7b04668 · 2017 · External reference
Prediction of isothermal equation of state of an explosive nitrate ester by van der Waals density functional theory
10.1021/jz900026j · 2010 · External reference
The kinetics and mechanism of the thermal decomposition of nitroglycerin
10.1021/j100700a007 · 1970 · External reference
ReaxFF: A reactive force field for hydrocarbons
10.1021/jp004368u · 2001 · External reference
Shock-induced hot spot formation and spalling in 1,3,5-trinitroperhydro-1,3,5-triazine containing a cube Void
10.1021/acsomega.9b00589 · 2019 · External reference
Carbon-rich clusters and graphite-like structure formation during early detonation of 2,4,6-Trinitrotoluene (TNT) via molecular dynamics simulation
10.6023/a18040153 · 2018 · External reference
ReaxFF–lg: Correction of the ReaxFF reactive force field for London dispersion, with applications to the equations of state for energetic materials
10.1021/jp201599t · 2011 · External reference
Ab initio simulation of defects in energetic materials. Part I. Molecular vacancy structure in RDX crystal
10.1016/s0022-3697(99)00229-2 · 2001 · External reference
Fast parallel algorithms for short–range molecular dynamics
10.1006/jcph.1995.1039 · 1995 · External reference
Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques
10.1016/j.parco.2011.08.005 · 2012 · External reference
First-principles investigation of anisotropic constitutive relationships in pentaerythritol tetranitrate
10.1103/physrevb.77.094107 · 2008 · External reference
Hydrostatic pressure effects on structural and electronic properties of ETN and PETN from first–principles calculations
10.1021/acs.jpca.6b03335 · 2016 · External reference
Calculation of bulk modulus for highly anisotropic materials
10.1016/j.physleta.2004.04.053 · 2004 · External reference
All-electron density-functional studies of hydrostatic compression of pentaerythritol tetranitrate C(CH2ONO2)4
10.1103/physrevb.69.035116 · 2004 · External reference
Temperature effects on the universal equation of state of solids
10.1103/physrevb.35.1945 · 1987 · External reference
The isothermal linear and volume compression of pentaerythritol tetranitrate (PETN) to 10 GPa (100 kbar) and the calculated shock compression
10.1063/1.430355 · 1975 · External reference
Equations of state for energetic materials from density functional theory with van der Waals, thermal, and zero-point energy corrections
10.1063/1.3526754 · 2010 · External reference
Fitting forms for isothermal data
10.1080/08957950108201010 · 2001 · External reference
Thermal decomposition of nitrate esters
10.1021/j100163a013 · 1991 · External reference
