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Volumn 25, Issue , 2007, Pages 159-189

The reactivity of energetic materials at extreme conditions

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EID: 66149133671     PISSN: 10693599     EISSN: None     Source Type: Book Series    
DOI: None     Document Type: Article
Times cited : (8)

References (111)
  • 2
    • 0142149100 scopus 로고    scopus 로고
    • A Molecular Dynamics Simulation Study of Elastic Properties of HMX
    • T. D. Sewell, R. Menikoff, D. Bedrov, and G. D. Smith, J. Chem. Phys., 119, 7417 (2003). A Molecular Dynamics Simulation Study of Elastic Properties of HMX.
    • (2003) J. Chem. Phys. , vol.119 , pp. 7417
    • Sewell, T.D.1    Menikoff, R.2    Bedrov, D.3    Smith, G.D.4
  • 3
    • 0034744749 scopus 로고    scopus 로고
    • Micromechanical Modeling of Shock-induced Chemical Reactions in Heterogeneous Multi-Material Powder Mixtures
    • I. P. H. Do and D. J. Benson, Int. J. Plasticity, 17, 641 (2001). Micromechanical Modeling of Shock-induced Chemical Reactions in Heterogeneous Multi-Material Powder Mixtures.
    • (2001) Int. J. Plasticity , vol.17 , pp. 641
    • Do, I.P.H.1    Benson, D.J.2
  • 4
    • 0037170247 scopus 로고    scopus 로고
    • Modeling Heterogeneous Energetic Materials at the Mesoscale
    • M. R. Baer, Thermochemica Acta, 384, 351 (2002). Modeling Heterogeneous Energetic Materials at the Mesoscale.
    • (2002) Thermochemica Acta , vol.384 , pp. 351
    • Baer, M.R.1
  • 6
    • 4243606192 scopus 로고
    • Unified Approach for Molecular Dynamics and Density-Functional Theory
    • R. Car and M. Parrinello, Phys. Rev. Lett., 55, 2471 (1985). Unified Approach for Molecular Dynamics and Density-Functional Theory.
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
    • Car, R.1    Parrinello, M.2
  • 7
    • 0027642750 scopus 로고
    • Comparison of Cylinder Data and Code Calculations for Homogeneous Explosives
    • P. C. Souers and J. W. Kury, Propellants, Explosives, Pyrotechnics, 18, 175 (1993). Comparison of Cylinder Data and Code Calculations for Homogeneous Explosives.
    • (1993) Propellants, Explosives, Pyrotechnics , vol.18 , pp. 175
    • Souers, P.C.1    Kury, J.W.2
  • 9
    • 36549102653 scopus 로고
    • Supercritical Fluid Phase Separations - Implications for Detonation Properties of Condensed Explosives
    • F. H. Ree, J. Chem. Phys., 84, 5845 (1986). Supercritical Fluid Phase Separations - Implications for Detonation Properties of Condensed Explosives.
    • (1986) J. Chem. Phys. , vol.84 , pp. 5845
    • Ree, F.H.1
  • 10
    • 0000696729 scopus 로고
    • Properties of Carbon Clusters in TNT Detonation Products: Graphite-Diamond Transition
    • M. van Thiel and F. H. Ree, J. Appl. Phys., 62, 1761 (1987). Properties of Carbon Clusters in TNT Detonation Products: Graphite-Diamond Transition.
    • (1987) J. Appl. Phys. , vol.62 , pp. 1761
    • van Thiel, M.1    Ree, F.H.2
  • 12
    • 0001287852 scopus 로고    scopus 로고
    • Evaluation of Various Theoretical Equations of State used in Calculation of Detonation Properties
    • F. Charlet, M. L. Turkel, J. F. Danel, and L. Kazandjian, J. Appl. Phys., 84, 4227 (1998). Evaluation of Various Theoretical Equations of State used in Calculation of Detonation Properties.
    • (1998) J. Appl. Phys. , vol.84 , pp. 4227
    • Charlet, F.1    Turkel, M.L.2    Danel, J.F.3    Kazandjian, L.4
  • 13
    • 0031247349 scopus 로고    scopus 로고
    • Mass Spectroscopic Study of the Chemical Reaction Zone in Detonating Liquid Nitromethane
    • N. C. Blais, R. Engelke, and S. A. Sheffield, J. Phys. Chem. A, 101, 8285 (1997). Mass Spectroscopic Study of the Chemical Reaction Zone in Detonating Liquid Nitromethane.
    • (1997) J. Phys. Chem. A , vol.101 , pp. 8285
    • Blais, N.C.1    Engelke, R.2    Sheffield, S.A.3
  • 14
    • 66149104347 scopus 로고
    • Nonideal Detonation in a Composite CHNO Explosive Containing Aluminum
    • Tenth International Detonation Symposium, Boston, Massachusetts
    • M. Cowperthwaite, Tenth International Detonation Symposium, Boston, Massachusetts, (1993). Nonideal Detonation in a Composite CHNO Explosive Containing Aluminum.
    • (1993)
    • Cowperthwaite, M.1
  • 15
    • 0004064379 scopus 로고
    • University of California Press, Berkeley, California
    • W. Fickett and W. C. Davis, Detonation, University of California Press, Berkeley, California, 1979.
    • (1979) Detonation
    • Fickett, W.1    Davis, W.C.2
  • 16
    • 34548456758 scopus 로고    scopus 로고
    • Kinetic Modeling of Non-ideal Explosives with Cheetah
    • 11th International Symposium on Detonation, Snowmass, Colorado
    • M. Howard, L. E. Fried, and P. C. Souers, 11th International Symposium on Detonation, Snowmass, Colorado, (1998). Kinetic Modeling of Non-ideal Explosives with Cheetah.
    • (1998)
    • Howard, M.1    Fried, L.E.2    Souers, P.C.3
  • 17
    • 0001740433 scopus 로고
    • Systematics of High-pressure and High-temperature Behavior of Hydrocarbons
    • F. H. Ree, J. Chem. Phys., 70, 974 (1979). Systematics of High-pressure and High-temperature Behavior of Hydrocarbons.
    • (1979) J. Chem. Phys. , vol.70 , pp. 974
    • Ree, F.H.1
  • 19
    • 66149148557 scopus 로고    scopus 로고
    • Experimental EOS and Chemical Studies of High-Pressure Detonation Products and Product Mixtures
    • 12th International Detonation Symposium, San Diego, California
    • J. M. Zaug, E. H. Abramson, D. W. Hansen, L. E. Fried, W. M. Howard, G. S. Lee, and P. F Pagoria. 12th International Detonation Symposium, San Diego, California, (2002). Experimental EOS and Chemical Studies of High-Pressure Detonation Products and Product Mixtures.
    • (2002)
    • Zaug, J.M.1    Abramson, E.H.2    Hansen, D.W.3    Fried, L.E.4    Howard, W.M.5    Lee, G.S.6    Pagoria, P.F.7
  • 20
    • 0037015401 scopus 로고    scopus 로고
    • Decomposition of HMX at Extreme Conditions: A Molecular Dynamics Simulation
    • M.R. Manaa, L. E. Fried, C. F. Melius, M. Elstner, and T. Frauenheim, J. Phys. Chem. A, 106, 9024 (2002). Decomposition of HMX at Extreme Conditions: A Molecular Dynamics Simulation.
    • (2002) J. Phys. Chem. A , vol.106 , pp. 9024
    • Manaa, M.R.1    Fried, L.E.2    Melius, C.F.3    Elstner, M.4    Frauenheim, T.5
  • 21
    • 5244376567 scopus 로고
    • Report on the Prediction of Detonation Velocities of Solid Explosives
    • Rep. OSRD-69, Office of Scientific Research and Development
    • G. B. Kistiakowsky and E. B. Wilson. Rep. OSRD-69, Office of Scientific Research and Development, 1941. Report on the Prediction of Detonation Velocities of Solid Explosives.
    • (1941)
    • Kistiakowsky, G.B.1    Wilson, E.B.2
  • 22
    • 33749846956 scopus 로고
    • The Effect of Elemental Composition on the Detonation Behavior of Explosives
    • Sixth International Symposium on Detonation, Coronado, California, Office of Naval Research
    • M. Finger, E. Lee, F. H. Helm, B. Hayes, H. Hornig, R. McGuire, M. Kahara, and M. Guidry, Sixth International Symposium on Detonation, 1976, Coronado, California, Office of Naval Research, pp. 710-22. The Effect of Elemental Composition on the Detonation Behavior of Explosives.
    • (1976) , pp. 710-22
    • Finger, M.1    Lee, E.2    Helm, F.H.3    Hayes, B.4    Hornig, H.5    McGuire, R.6    Kahara, M.7    Guidry, M.8
  • 23
  • 25
    • 0141844086 scopus 로고
    • Calibrating the BKW-EOS with a Large Product Species Data Based and Measured C-J Properties
    • Tenth International Detonation Symposium, Boston, Massachusetts
    • M. L. Hobbs and M. R. Baer, Tenth International Detonation Symposium, Boston, Massachusetts, (1993). Calibrating the BKW-EOS with a Large Product Species Data Based and Measured C-J Properties.
    • (1993)
    • Hobbs, M.L.1    Baer, M.R.2
  • 26
    • 0001134324 scopus 로고    scopus 로고
    • BKWC: An Empirical BKW Parametrization Based on Cylinder Test Data
    • L. E. Fried and P. C. Souers, Propellants, Explosives, Pyrotechnics, 21, 215 (1996). BKWC: An Empirical BKW Parametrization Based on Cylinder Test Data.
    • (1996) Propellants, Explosives, Pyrotechnics , vol.21 , pp. 215
    • Fried, L.E.1    Souers, P.C.2
  • 27
    • 2042417758 scopus 로고
    • The JCZ Equation of State for Detonation Products and their Incorporation into the TIGER Code
    • Sixth International Symposium on Detonation, Coronado, California, Office of Naval Research
    • M. Cowperthwaite and W. H. Zwisler, Sixth International Symposium on Detonation, 1976, Coronado, California, Office of Naval Research, p. 162. The JCZ Equation of State for Detonation Products and their Incorporation into the TIGER Code.
    • (1976) , pp. 162
    • Cowperthwaite, M.1    Zwisler, W.H.2
  • 28
    • 0000439444 scopus 로고
    • Repulsive Forces of Simple Molecules and Mixtures at High Density and Temperature
    • M. Ross and F. H. Ree, J. Chem. Phys., 73, 6146 (1980). Repulsive Forces of Simple Molecules and Mixtures at High Density and Temperature.
    • (1980) J. Chem. Phys. , vol.73 , pp. 6146
    • Ross, M.1    Ree, F.H.2
  • 29
    • 0001604059 scopus 로고
    • A Statistical Mechanical Theory of Chemically Reacting Multiple Phase Mixtures: Application to the Detonation Properties of PETN
    • F. H. Ree, J. Chem. Phys., 81, 1251 (1984). A Statistical Mechanical Theory of Chemically Reacting Multiple Phase Mixtures: Application to the Detonation Properties of PETN.
    • (1984) J. Chem. Phys. , vol.81 , pp. 1251
    • Ree, F.H.1
  • 31
    • 0041154670 scopus 로고
    • Analytical Representation of the Excess Thermodynamic Equation of State for Classical Fluid Mixtures of Molecules Interacting with Alpha-exponential-six Pair Potentials up to High Densities
    • W. Byers Brown, J. Chem. Phys., 87, 566 (1987). Analytical Representation of the Excess Thermodynamic Equation of State for Classical Fluid Mixtures of Molecules Interacting with Alpha-exponential-six Pair Potentials up to High Densities.
    • (1987) J. Chem. Phys. , vol.87 , pp. 566
    • Byers Brown, W.1
  • 32
    • 0000381015 scopus 로고    scopus 로고
    • An Accurate Equation of State for the Exponential-6 Fluid Applied to Dense Supercritical Nitrogen
    • L. E. Fried and W. M. Howard, J. Chem. Phys., 109, 7338 (1998). An Accurate Equation of State for the Exponential-6 Fluid Applied to Dense Supercritical Nitrogen.
    • (1998) J. Chem. Phys. , vol.109 , pp. 7338
    • Fried, L.E.1    Howard, W.M.2
  • 33
    • 0000835749 scopus 로고    scopus 로고
    • The Equation of State of Supercritical HF, HCl, and Reactive Supercritical Mixtures Containing the Elements H, C, F, and Cl
    • L. E. Fried and W. M. Howard, J. Chem. Phys., 110, 12023 (1999). The Equation of State of Supercritical HF, HCl, and Reactive Supercritical Mixtures Containing the Elements H, C, F, and Cl.
    • (1999) J. Chem. Phys. , vol.110 , pp. 12023
    • Fried, L.E.1    Howard, W.M.2
  • 34
    • 66149147331 scopus 로고    scopus 로고
    • Theoretical Equation of State for Water at High Pressures
    • Atlanta, Georgia: AIP
    • H. D. Jones, Shock Compression of Condensed Matter, 2001, Atlanta, Georgia: AIP, pp. 103-106. Theoretical Equation of State for Water at High Pressures.
    • (2001) Shock Compression of Condensed Matter , pp. 103-106
    • Jones, H.D.1
  • 36
    • 41349083525 scopus 로고    scopus 로고
    • Molecular Simulation of Shocked Materials Using the Reactive Monte Carlo Method
    • 021105
    • J. K. Brennan and B. M. Rice, Phys. Rev. E, 66, 021105 (2002). Molecular Simulation of Shocked Materials Using the Reactive Monte Carlo Method.
    • (2002) Phys. Rev. E , vol.66
    • Brennan, J.K.1    Rice, B.M.2
  • 37
    • 41349103190 scopus 로고    scopus 로고
    • Reaction Ensemble Molecular Dynamics: Direct Simulation of the Dynamic Equilibrium Properties of Chemically Reacting Mixtures
    • 061103
    • J. K. Brennan, M. Lisal, K. E. Gubbins, and B. M. Rice, Phys. Rev. E, 70, 061103 (2004). Reaction Ensemble Molecular Dynamics: Direct Simulation of the Dynamic Equilibrium Properties of Chemically Reacting Mixtures.
    • (2004) Phys. Rev. E , vol.70
    • Brennan, J.K.1    Lisal, M.2    Gubbins, K.E.3    Rice, B.M.4
  • 40
    • 77958613668 scopus 로고    scopus 로고
    • EXP6: A New Equation of State Library for High Pressure Thermochemistry
    • 12th International Symposium on Detonation, San Diego, CA, US Naval Research Office
    • L. E. Fried, W. M. Howard, and P. C. Souers, 12th International Symposium on Detonation, 2002, San Diego, CA, US Naval Research Office. EXP6: A New Equation of State Library for High Pressure Thermochemistry.
    • (2002)
    • Fried, L.E.1    Howard, W.M.2    Souers, P.C.3
  • 41
    • 0033210910 scopus 로고    scopus 로고
    • JCZS: An Intermolecular Potential Database for Performing Accurate Detonation and Expansion Calculations
    • M. L. Hobbs, M. R. Baer, and B. C. McGee, Propellants, Explosives, Pyrotechnics, 24, 269 (1999). JCZS: An Intermolecular Potential Database for Performing Accurate Detonation and Expansion Calculations.
    • (1999) Propellants, Explosives, Pyrotechnics , vol.24 , pp. 269
    • Hobbs, M.L.1    Baer, M.R.2    McGee, B.C.3
  • 42
    • 0035281214 scopus 로고    scopus 로고
    • Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-tetranitro- 1,3,5,7-tetrazocine), an Ab Initio Study
    • D. Chakraborty, R. P. Muller, S. Dasgupta, and W. A. Goddard III, J. Phys. Chem. A, 105 1302 (2001). Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-tetranitro- 1,3,5,7-tetrazocine), an Ab Initio Study.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 1302
    • Chakraborty, D.1    Muller, R.P.2    Dasgupta, S.3    Goddard III, W.A.4
  • 43
    • 66149098767 scopus 로고    scopus 로고
    • Equation of State for High Explosive Detonation Products with Explicit Polar and Ionic Species
    • 13th International Symposium on Detonation, McLean, Virginia
    • S. Bastea, K. Glaesemann, and L. E. Fried, 13th International Symposium on Detonation, McLean, Virginia, (2006). Equation of State for High Explosive Detonation Products with Explicit Polar and Ionic Species.
    • (2006)
    • Bastea, S.1    Glaesemann, K.2    Fried, L.E.3
  • 44
    • 36749117491 scopus 로고
    • Simple Mixing Rule for Mixtures with Exp-6 Interactions
    • F. H. Ree, J. Chem. Phys., 78, 409 (1978). Simple Mixing Rule for Mixtures with Exp-6 Interactions.
    • (1978) J. Chem. Phys. , vol.78 , pp. 409
    • Ree, F.H.1
  • 45
    • 36749121761 scopus 로고
    • A High Density Fluid-perturbation Theory Based on an Inverse 12th Power Hard-sphere Reference System
    • M. Ross, J. Chem. Phys., 71, 1567 (1979). A High Density Fluid-perturbation Theory Based on an Inverse 12th Power Hard-sphere Reference System.
    • (1979) J. Chem. Phys. , vol.71 , pp. 1567
    • Ross, M.1
  • 46
    • 0001388813 scopus 로고
    • Thermodynamic Perturbation Theory for Simple Polar Fluids. 1
    • G. Stell, J. C. Rasaiah, and H. Narang, Mol. Phys., 23, 393 (1972). Thermodynamic Perturbation Theory for Simple Polar Fluids. 1.
    • (1972) Mol. Phys. , vol.23 , pp. 393
    • Stell, G.1    Rasaiah, J.C.2    Narang, H.3
  • 47
    • 79952191589 scopus 로고
    • Theory of Polar Liquids. I. Dipolar Hard Spheres
    • G. S. Rushbrooke, G. Stell, and J. S. Hoye, Mol. Phys., 26, 1199 (1973). Theory of Polar Liquids. I. Dipolar Hard Spheres.
    • (1973) Mol. Phys. , vol.26 , pp. 1199
    • Rushbrooke, G.S.1    Stell, G.2    Hoye, J.S.3
  • 48
    • 0017995948 scopus 로고
    • Thermodynamics of Polyatomic Fluid Mixtures. I
    • K. E. Gubbins and C. H. Twu, Chem. Eng. Sci., 33, 863 (1977). Thermodynamics of Polyatomic Fluid Mixtures. I.
    • (1977) Chem. Eng. Sci. , vol.33 , pp. 863
    • Gubbins, K.E.1    Twu, C.H.2
  • 49
    • 0017996050 scopus 로고
    • Thermodynamics of Polyatomic Fluid-Mixtures. II
    • C. H. Twu and K. E. Gubbins, Chem. Eng. Sci., 33, 879 (1977). Thermodynamics of Polyatomic Fluid-Mixtures. II.
    • (1977) Chem. Eng. Sci. , vol.33 , pp. 879
    • Twu, C.H.1    Gubbins, K.E.2
  • 50
    • 0036836445 scopus 로고    scopus 로고
    • A Reappraisal of What we Have Learned During Three Decades of Computer Simulation
    • B. Guillot, J. Mol. Liq., 101, 219 (2002). A Reappraisal of What we Have Learned During Three Decades of Computer Simulation.
    • (2002) J. Mol. Liq. , vol.101 , pp. 219
    • Guillot, B.1
  • 51
    • 0003596959 scopus 로고
    • University of California Press, Berkeley, California
    • S. P. Marsh, LASL Shock Hugoniot Data, University of California Press, Berkeley, California, 1980.
    • (1980) LASL Shock Hugoniot Data
    • Marsh, S.P.1
  • 52
    • 0036592296 scopus 로고    scopus 로고
    • The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use
    • W. Wagner and A. Pruss, J. Phys. Chem. Ref. Data, 31, 387 (2002). The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use.
    • J. Phys. Chem. Ref. Data , vol.31 , pp. 387
    • Wagner, W.1    Pruss, A.2
  • 53
    • 66149141680 scopus 로고
    • Detonation Velocity of PETN
    • Proceedings of the 5th International Symposium on Detonation, Office of Naval Research
    • H. C. Hornig, E. L. Lee, M. Finger, and J. E. Kurly, Proceedings of the 5th International Symposium on Detonation, Office of Naval Research, 1970, Detonation Velocity of PETN.
    • (1970)
    • Hornig, H.C.1    Lee, E.L.2    Finger, M.3    Kurly, J.E.4
  • 54
    • 0000752251 scopus 로고
    • Thermal Decomposition of Energetic Materials. 2. Deuterium Isotope Effects and Isotopic Scrambling in Condensed-Phase Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
    • R. Behrens and S. Bulusu, J. Phys. Chem., 95, 5838 (1991). Thermal Decomposition of Energetic Materials. 2. Deuterium Isotope Effects and Isotopic Scrambling in Condensed-Phase Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine.
    • (1991) J. Phys. Chem. , vol.95 , pp. 5838
    • Behrens, R.1    Bulusu, S.2
  • 55
    • 0031274945 scopus 로고    scopus 로고
    • Ab Initio Study of RDX Decomposition Mechanisms
    • C. Wu and L. Fried, J. Phys. Chem. A, 101, 8675 (1997). Ab Initio Study of RDX Decomposition Mechanisms.
    • (1997) J. Phys. Chem. A , vol.101 , pp. 8675
    • Wu, C.1    Fried, L.2
  • 56
    • 0035932662 scopus 로고    scopus 로고
    • Branching Ratio and Pressure Dependent Rate Constants of Multichannel Unimolecular Decomposition of Gas-phase a-HMX: An Ab Initio Dynamics Study
    • S. Zhang and T. Truong, J. Phys. Chem. A, 105, 2427 (2001). Branching Ratio and Pressure Dependent Rate Constants of Multichannel Unimolecular Decomposition of Gas-phase a-HMX: An Ab Initio Dynamics Study.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 2427
    • Zhang, S.1    Truong, T.2
  • 57
    • 0034510538 scopus 로고    scopus 로고
    • Ab Initio Calculations of Reactive Pathways for α-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (α-HMX)
    • J. Lewis, K. Glaesemann, K. Van Opdorp, and G. Voth, J. Phys. Chem. A, 104, 11384 (2000). Ab Initio Calculations of Reactive Pathways for α-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (α-HMX).
    • (2000) J. Phys. Chem. A , vol.104 , pp. 11384
    • Lewis, J.1    Glaesemann, K.2    van Opdorp, K.3    Voth, G.4
  • 58
    • 0000241698 scopus 로고
    • Classical Dynamics Study of Unimolecular Dissociation of Hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX)
    • T. Sewell and D. Thompson, J. Phys. Chem., 95, 6228 (1991). Classical Dynamics Study of Unimolecular Dissociation of Hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX).
    • (1991) J. Phys. Chem. , vol.95 , pp. 6228
    • Sewell, T.1    Thompson, D.2
  • 59
    • 33751156966 scopus 로고
    • Further Studies of the Classical Dynamics of the Unimolecular Dissociation of RDX
    • C. Chambers and D. Thompson, J. Phys. Chem., 99, 15881 (1995). Further Studies of the Classical Dynamics of the Unimolecular Dissociation of RDX.
    • (1995) J. Phys. Chem. , vol.99 , pp. 15881
    • Chambers, C.1    Thompson, D.2
  • 60
    • 0001543054 scopus 로고
    • On the Theory of the Propagation of Detonation in Gaseous Systems
    • Y. B. Zel'dovich, Sov. Phys. J. Exp. Theor. Phys., 10, 542 (1940). On the Theory of the Propagation of Detonation in Gaseous Systems.
    • (1940) Sov. Phys. J. Exp. Theor. Phys. , vol.10 , pp. 542
    • Zel'dovich, Y.B.1
  • 62
    • 0000757819 scopus 로고
    • On Detonation Processes in Gases
    • W. Doring, Ann. Phys., 43, 421 (1943). On Detonation Processes in Gases.
    • (1943) Ann. Phys. , vol.43 , pp. 421
    • Doring, W.1
  • 63
    • 4143086086 scopus 로고    scopus 로고
    • Superionics: Crystal Structures and Conduction Processes
    • S. Hull, Rep. Prog. Phys., 67, 1233 (2004). Superionics: Crystal Structures and Conduction Processes.
    • (2004) Rep. Prog. Phys. , vol.67 , pp. 1233
    • Hull, S.1
  • 70
    • 37049186728 scopus 로고
    • Interiors of the Giant Planets
    • W. B. Hubbard, Science, 214, 145 (1981). Interiors of the Giant Planets.
    • (1981) Science , vol.214 , pp. 145
    • Hubbard, W.B.1
  • 71
    • 0001122918 scopus 로고    scopus 로고
    • Equation of State and Electrical Conductivity of "Synthetic Uranus," A Mixture of Water, Ammonia, and Isopropanol, at Shock Pressure up to 200 GPa (2 Mbar)
    • W. J. Nellis, N. C. Holmes, A. C. Mitchell, D. C. Hamilton, and M. Nicol, J. Chem. Phys, 107, 9096 (1997). Equation of State and Electrical Conductivity of "Synthetic Uranus," A Mixture of Water, Ammonia, and Isopropanol, at Shock Pressure up to 200 GPa (2 Mbar).
    • (1997) J. Chem. Phys. , vol.107 , pp. 9096
    • Nellis, W.J.1    Holmes, N.C.2    Mitchell, A.C.3    Hamilton, D.C.4    Nicol, M.5
  • 72
    • 0035121406 scopus 로고    scopus 로고
    • Electrical Conductivity of Water Compressed Dynamically to Pressures of 70-180 GPa (0.7- 1.8 Mbar)
    • R. Chau, A. C. Mitchell, R. W. Minich, and W. J. Nellis, J. Chem. Phys., 114, 1361 (2001). Electrical Conductivity of Water Compressed Dynamically to Pressures of 70-180 GPa (0.7- 1.8 Mbar).
    • (2001) J. Chem. Phys. , vol.114 , pp. 1361
    • Chau, R.1    Mitchell, A.C.2    Minich, R.W.3    Nellis, W.J.4
  • 78
    • 4243553426 scopus 로고
    • Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior
    • A. D. Becke, Phys. Rev. A, 38, 3098 (1988). Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 79
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
    • C. T. Lee, W. T. Yang, and R. G. Parr, Phys. Rev. B, 37, 785 (1988). Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density.
    • (1988) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.T.1    Yang, W.T.2    Parr, R.G.3
  • 80
    • 33645426115 scopus 로고
    • Efficient Pseudopotentials for Plane-Wave Calculations
    • N. Troullier and J. Martins, Phys. Rev. B, 43, 1993 (1991). Efficient Pseudopotentials for Plane-Wave Calculations.
    • (1991) Phys. Rev. B , vol.43 , pp. 1993
    • Troullier, N.1    Martins, J.2
  • 81
    • 84943502952 scopus 로고
    • A Unified Formulation of the Constant Temperature Molecular Dynamics Methods
    • S. Nosé, Mol. Phys., 52, 255 (1984). A Unified Formulation of the Constant Temperature Molecular Dynamics Methods.
    • (1984) Mol. Phys. , vol.52 , pp. 255
    • Nosé, S.1
  • 82
    • 45849154593 scopus 로고    scopus 로고
    • Reassigning Hydrogen Bond Centering in Dense Ice
    • 145501
    • M. Benoit, A. H. Romero, and D. Marx, Phys. Rev. Lett., 89, 145501 (2002). Reassigning Hydrogen Bond Centering in Dense Ice.
    • (2002) Phys. Rev. Lett. , vol.89
    • Benoit, M.1    Romero, A.H.2    Marx, D.3
  • 83
    • 33748374124 scopus 로고
    • Statistical Mechanics of Isomerization Dynamics in Liquids and Transition-state Approximation
    • D. Chandler, J. Chem. Phys., 68, 2959 (1978). Statistical Mechanics of Isomerization Dynamics in Liquids and Transition-state Approximation.
    • (1978) J. Chem. Phys. , vol.68 , pp. 2959
    • Chandler, D.1
  • 84
    • 36149009855 scopus 로고
    • The Structure of Electronic Excitation Levels in Insulating Crystals
    • G. H. Wannier, Phys. Rev., 52, 191 (1937). The Structure of Electronic Excitation Levels in Insulating Crystals.
    • (1937) Phys. Rev. , vol.52 , pp. 191
    • Wannier, G.H.1
  • 85
    • 4243690324 scopus 로고    scopus 로고
    • Maximally Localized Generalized Wannier Functions for Composite Energy Bands
    • N. Marazri and D. Vanderbilt, Phys. Rev. B, 56, 12847 (1997). Maximally Localized Generalized Wannier Functions for Composite Energy Bands.
    • (1997) Phys. Rev. B , vol.56 , pp. 12847
    • Marazri, N.1    Vanderbilt, D.2
  • 86
    • 0000230258 scopus 로고    scopus 로고
    • Maximally Localized Wannier Functions for Simulations with Supercells of General Symmetry
    • P. L. Silvestrelli, Phys. Rev. B, 59, 9703 (1999). Maximally Localized Wannier Functions for Simulations with Supercells of General Symmetry.
    • (1999) Phys. Rev. B , vol.59 , pp. 9703
    • Silvestrelli, P.L.1
  • 87
    • 0942268865 scopus 로고    scopus 로고
    • Ab Initio Molecular Dynamics Study of the Aqueous Liquid-Vapor Interface
    • I. F. W. Kuo and C. J. Mundy, Science, 303, 658 (2004). Ab Initio Molecular Dynamics Study of the Aqueous Liquid-Vapor Interface.
    • (2004) Science , vol.303 , pp. 658
    • Kuo, I.F.W.1    Mundy, C.J.2
  • 89
    • 0000782380 scopus 로고
    • Pressure-temperature Dependence of the Beta-delta-polymorph Interconversion in Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
    • A. G. Landers and T. B. Brill, J. Phys. Chem., 84, 3573 (1980). Pressure-temperature Dependence of the Beta-delta-polymorph Interconversion in Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine.
    • (1980) J. Phys. Chem. , vol.84 , pp. 3573
    • Landers, A.G.1    Brill, T.B.2
  • 90
    • 2942685552 scopus 로고    scopus 로고
    • Early Chemistry in Hot and Dense Nitromethane, Molecular Dynamics Simulations
    • M. R. Manaa, E. J. Reed, L. E. Fried, G. Galli, and F. Gygi, J. Chem. Phys., 120, 10145 (2004). Early Chemistry in Hot and Dense Nitromethane: Molecular Dynamics Simulations.
    • (2004) J. Chem. Phys. , vol.120 , pp. 10145
    • Manaa, M.R.1    Reed, E.J.2    Fried, L.E.3    Galli, G.4    Gygi, F.5
  • 91
  • 92
    • 0001443126 scopus 로고
    • Thermal Degradation of Secondary Nitramines - A Nitrogen-15 Tracer Study of HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazazcyclooctane)
    • B. Suryanarayana, R. J. Graybush, and J. R. Autera, Chem. Ind. London, 52, 2177 (1967). Thermal Degradation of Secondary Nitramines - A Nitrogen-15 Tracer Study of HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazazcyclooctane).
    • (1967) Chem. Ind. London , vol.52 , pp. 2177
    • Suryanarayana, B.1    Graybush, R.J.2    Autera, J.R.3
  • 93
    • 85025302063 scopus 로고
    • Electronimpact Fragmentation of Some Secondary Aliphatic Nitramines. Migration of Nitro Group in Heterocyclic Nitramines
    • S. Bulusu, T. Axenrod, and G. W. A. Milne, Org. Mass. Spectrom., 3, 13 (1970). Electronimpact Fragmentation of Some Secondary Aliphatic Nitramines. Migration of Nitro Group in Heterocyclic Nitramines.
    • (1970) Org. Mass. Spectrom. , vol.3 , pp. 13
    • Bulusu, S.1    Axenrod, T.2    Milne, G.W.A.3
  • 94
    • 0002675615 scopus 로고
    • Electron-spin -Resonance Studies of HMX Pyrolysis Products
    • C. V. Morgan and R. A. Beyer, Combust. Flame, 36, 99 (1979). Electron-spin -Resonance Studies of HMX Pyrolysis Products.
    • (1979) Combust. Flame , vol.36 , pp. 99
    • Morgan, C.V.1    Beyer, R.A.2
  • 95
    • 0021660944 scopus 로고
    • Fundamentals of Solid Propellant Combustion
    • K. K. Kuo, M. Summerfield, Eds., AIAA Inc., New York
    • R. A. Fifer, in Progress in Astronautics and Aeronautics, K. K. Kuo, M. Summerfield, Eds., AIAA Inc., New York, 1984, p. 177. Fundamentals of Solid Propellant Combustion.
    • (1984) Progress in Astronautics and Aeronautics , pp. 177
    • Fifer, R.A.1
  • 96
    • 0025386887 scopus 로고
    • Determination of the Rates of Formation of Gaseous Products from the Pyrolysis of Octrahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) by Simultaneous Thermogravimetric Modulated Beam Mass Spectrometry
    • R. Behrens, International Journal of Chemical Kinetics, 22, 159 (1990). Determination of the Rates of Formation of Gaseous Products from the Pyrolysis of Octrahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) by Simultaneous Thermogravimetric Modulated Beam Mass Spectrometry.
    • (1990) International Journal of Chemical Kinetics , vol.22 , pp. 159
    • Behrens, R.1
  • 98
    • 0000343788 scopus 로고
    • Thermal Decompostion of Energetic Materials. 66. Kinetic Compensation Effects in HMX, RDX and NTO
    • T. Brill, P. Gongwer, and G. Williams, J. Phys. Chem., 98, 12242 (1994). Thermal Decompostion of Energetic Materials. 66. Kinetic Compensation Effects in HMX, RDX and NTO.
    • (1994) J. Phys. Chem. , vol.98 , pp. 12242
    • Brill, T.1    Gongwer, P.2    Williams, G.3
  • 99
    • 0029346548 scopus 로고
    • Multphase Chemistry Considerations at the Surface of Burning Nitramine Monopropellants
    • T. Brill, Journal of Propulsion and Power, 4, 740 (1995). Multphase Chemistry Considerations at the Surface of Burning Nitramine Monopropellants.
    • (1995) Journal of Propulsion and Power , vol.4 , pp. 740
    • Brill, T.1
  • 101
    • 0345581754 scopus 로고    scopus 로고
    • Molecular Dynamics Simulations of Energetic Solids
    • P. Politzer and S. Boyd, Struct. Chem., 13, 105 (2002). Molecular Dynamics Simulations of Energetic Solids.
    • (2002) Struct. Chem. , vol.13 , pp. 105
    • Politzer, P.1    Boyd, S.2
  • 103
    • 0038002924 scopus 로고    scopus 로고
    • MD of Shockinduced Chemistry in Small Hydrocarbons
    • M. L. Elert, S. V. Zybin, and C. T. White, J. Chem. Phys., 118, 9795 (2003). MD of Shockinduced Chemistry in Small Hydrocarbons.
    • (2003) J. Chem. Phys. , vol.118 , pp. 9795
    • Elert, M.L.1    Zybin, S.V.2    White, C.T.3
  • 104
    • 0033684420 scopus 로고    scopus 로고
    • Molecular Dynamics Simulations of Shocked Benzene
    • S. R. Bickham, J. D. Kress, and L. A. Collins, J. Chem. Phys., 112, 9695 (2000). Molecular Dynamics Simulations of Shocked Benzene.
    • (2000) J. Chem. Phys. , vol.112 , pp. 9695
    • Bickham, S.R.1    Kress, J.D.2    Collins, L.A.3
  • 106
    • 0344133184 scopus 로고    scopus 로고
    • Electronic Structure Calculation of the Structures and Energies of the Three Pure Polymorphic Forms of Crystalline HMX
    • J. Lewis, T. Sewell, R. Evans, and G. Voth, J. Phys. Chem. B, 104, 1009 (2000). Electronic Structure Calculation of the Structures and Energies of the Three Pure Polymorphic Forms of Crystalline HMX.
    • (2000) J. Phys. Chem. B , vol.104 , pp. 1009
    • Lewis, J.1    Sewell, T.2    Evans, R.3    Voth, G.4
  • 107
    • 0030568455 scopus 로고    scopus 로고
    • Critical Conditions for Impact and Shock-induced Hot Spots in Solid Explosives
    • C. M. Tarver, S. K. Chidester, and A. L. Nichols III, J. Phys. Chem., 100, 5794 (1996). Critical Conditions for Impact and Shock-induced Hot Spots in Solid Explosives.
    • (1996) J. Phys. Chem. , vol.100 , pp. 5794
    • Tarver, C.M.1    Chidester, S.K.2    Nichols III, A.L.3
  • 108
    • 66149128707 scopus 로고
    • HMX Decomposition
    • D. N. Bulusu, Ed., Kluwer, Dordercht, The Netherlands
    • C. F. Melius, in Chemistry and Physics of Energetic Materials, D. N. Bulusu, Ed., Kluwer, Dordercht, The Netherlands, 1990. HMX Decomposition.
    • (1990) Chemistry and Physics of Energetic Materials
    • Melius, C.F.1
  • 109
    • 0000029444 scopus 로고    scopus 로고
    • Explicit Gibbs Free Energy Equation of State Applied to the Carbon Phase Diagram
    • L. E. Fried and W. M. Howard, Phys. Rev. B, 61, 8734 (2000). Explicit Gibbs Free Energy Equation of State Applied to the Carbon Phase Diagram.
    • (2000) Phys. Rev. B , vol.61 , pp. 8734
    • Fried, L.E.1    Howard, W.M.2
  • 110
    • 0042812460 scopus 로고    scopus 로고
    • A Method for Tractable Dynamical Studies of Single and Double Shock Compression
    • 235503
    • E. J. Reed, J. D. Joannopoulos, and L. E. Fried, Phys. Rev. Lett., 90, 235503 (2003). A Method for Tractable Dynamical Studies of Single and Double Shock Compression.
    • (2003) Phys. Rev. Lett. , vol.90
    • Reed, E.J.1    Joannopoulos, J.D.2    Fried, L.E.3


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