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PrefaceThis book is the second volume of Solids Volumes in the Shock Wave Science and Technology Reference Library. These volumes are primarily concerned with high-pressure shock waves in solid media, including detonation and highvelocity impact and penetration events. This volume contains four articles. The first two describe the reactive behavior of condensed-phase explosives, and the remaining two discuss the inert, mechanical response of solid materials. The articles are each selfcontained, ...
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Shock Wave Science and Technology Reference Library Vol. 3 Solids II Yasuyuki Horle Editor This book is the second of several volumes on solids in the Shock Wave Science and Technology Reference Library. These volumes are primarily concerned with high-pressure shock waves in solid media, including detonation and high-velocity impact and penetration events. Of the four extensive chapters in this volume, the first two describe the reactive behavior of condensed phase explosives, ... [weiter lesen] |
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List of ContributorsJohn B. Aidun Multiscale Dynamic Materials Modeling Sandia National Laboratories Albuquerque, NM, USA Saman Alavi Department of Chemistry University of Ottawa Ottawa, Ontario KIN 6N5 Canada Ray Engelke Los Alamos National Laboratory Los Alamos, NM 87545, USA Dennis Grady Applied Research Associates 4300 San Mateo Blvd., NE, A-220 Albuquerque, NM 87110 dgrady@ara.com Anguang Hu Department of Chemistry University of Ottawa Ottawa, Ontario KIN 6N5 Canada Stephen A... [weiter lesen] |
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Contents
1 Condensed-Phase Explosives: Shock Initiation and Detonation Phenomena
S.A. Sheffield and R. Engelke 1
1.1 Introduction 2
1.1.1 Relationship of Initiation and Detonation to Shocks 2
1.1.2 Brief History: Materials Development 4
1.1.3 Brief History: Development of Understanding 5
1.2 Some Chemical Structures and Chemical Properties of Condensed-Phase HEs 6
1.2.1 HE Classifications 7
1.2.2 Properties of Selected HEs 7
1.3 Conservation Relations and Equation of State 9
1.3.1 Conservation Relationships 9
1.3.2 Unreacted Material EOS: Hugoniot 12
1.3.3 Reaction Products Hugoniot and EOS 17
1.4 Detonation Phenomena 19
1.4.1 1-D Steady Detonation 21
1.4.2 Zeldovich-von Neumann-Doering Theory 22
1.4.3 Taylor Wave 24
1.4.4 2-D Steady Detonation 27
1.4.5 Detonation Shock Dynamics 31
1.4.6 Reaction-Zone Measurements 33
1.4.7 Corner Turning 35
1.4.8 Detonation Properties of Selected Explosives 37
1.4.9 3-D Detonation 38
1.5 Shock Initiation Phenomena; Shock-to-Detonation Transition 40
1.5.1 1-D Homogeneous HE SDT 41
1.5.2 1-D Heterogeneous HE SDT 43
1.5.3 Experimental Methods For Making Shock Initiation Measurements 44
1.5.4 Explosively Driven Wedge Experiments 45
1.5.5 Multiple Gauge Measurements 47
1.5.6 Multiple Magnetic-Gauge Measurements: Homogeneous Explosives 50
1.5.7 Multiple Magnetic-Gauge Measurements: Heterogeneous Explosives 52
1.5.8 Numerical Modeling of Initiation 55
1.5.9 Summary and Future Developments 56
1.5.10 Glossary 57
1.5.11 References 59
2 First Principles Molecular Simulation of Energetic Materials at High Pressures
F. Zhang, S. Alavi, A. Hu, and T.K. Woo 65
2.1 Introduction 65
2.1.1 Introduction to First Principles Molecular Simulation 66
2.1.2 Density Functional Theory 69
2.1.3 Plane Wave Basis Sets 72
2.1.4 Periodic Boundary Conditions 74
2.1.5 Molecular Dynamics 75
2.1.6 Ab initio Molecular Dynamics 77
2.2 Collision Dissociation of Nitromethane 79
2.2.1 Impact of a Single Molecule on Multiple Molecules 79
2.2.2 Impact of Multiple Molecules on Multiple Molecules 82
2.3 Pressure Dissociation of Nitromethane 86
2.4 High Pressure Nonmolecular Solid Phases of Polynitrogen 89
2.4.1 Polynitrogen Phases from Simple Cubic Motifs 90
2.4.2 Polynitrogen Phases from Chain Motifs 95
2.4.3 Polynitrogen Phases from Helical Motifs 98
2.5 Final Remarks 103
References 104
3 Combined Compression and Shear Plane Waves
Z. Tang and J.B. Aidun 109
3.1 Introduction 109
3.2 Theory of Combined Stress Plane Waves 110
3.2.1 Basic Equations 110
3.2.2 Combined Compression Shear Waves in Nonlinear Elastic Solids 112
3.2.3 Combined Compression Shear Stress Plane Waves in Elastic-Plastic Materials 11...
3.3 Experimental and Diagnostics Methods 123
3.3.1 Experimental Methods to Generate Combined Pressure-Shear Plane Waves 123
3.3.2 Diagnostics 130
3.4 Applications 139
3.4.1 Plasticity Under Combined Compression and Shear Loading 139
3.4.2 Investigations of Post-Yield Material Behavior 142
3.4.3 Damage and Failure Investigations for Cementious Composites 150
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Index
A - α -arsenic (A 7), 89, 93
Ab initio molecular dynamics (AIMD), 77 606- 1-T 6 aluminum, 135, 137, 139, 140, 165
Aluminum fragmentation, 218, 255, 256
Amorphous phase, 89
BBAMO/THF, 148, 150
Bar, 241
Bessel functions, 182
Bimolecular collision, 79
Binomial distribution, 175, 179, 248
Black phosphorus (BP), 89, 93
Blasting, mining and quarry, 172
Bond scission, 79, 81, 82
Born-Oppenheimer AIMD, 77
Brittle fragmentation, 237, 247-252
CC-N bond, 81, 84, 87
Car-Parrinello AIMD, 78
Carrara marble, 143, 145, 165
CdS, 150
Cementious composites, 150
Ceramic, 213, 237, 241-243
Ceramic, lead zirconate titanate, 242-245
Ceramic, uranium dioxide, 242, 245, 246
CH tool steel/Ti-6 Al-4 V, 154
Chaired web (CW), 98, 100, 101, 103
Chapman-Jouguet(CJ), 5, 17, 21, 22, 25, 33, 34, 37, 38, 56
Characteristics, 109-111, 118, 148, 150, 154, 155, 161
Chemical reaction zone (rate), 2, 5, 17, 21-23, 29-31, 33-35, 37, 38, 40, 56-58
Cis-trans chains, 94, 97, 99, 101
Classic potentials, 67
Coefficient of kinetic friction, 155, 157, 159
Cohesive zone, 258
Collision dissociation, 65, 79
Combined pressure-shear plate impact, 116
Combined pressure-shear waves, 117, 164
Corner turning, 35-37
Criteria, 228
Cubic gauche (CG), 89, 93, 100, 102
Cylinder test, 17
DDead zones, 35, 37
Density functional theory (DFT), 69
Detonation shock dynamics, 31-33
Diameter-effect curve, 27, 29, 30, 37, 57
Distribution extremes, 201
Dynamic fragmentation, 169-171
Dynamic friction behavior, 153, 154
Dynamic simulations, 82
EElastic, 225
Electromagnetic particle velocity (EMV) gauges, 130, 132, 133, 143, 144, 148, 151
Electronic energy functional, 69
Energy criteria, 215
Energy-horizon fragmentation, 230-233
Entropy maximum methods, 196
Entropy methods, 196-198
Equation of State (EOS), 3, 9, 11, 12, 16, 17, 19, 25, 57
Exchange-correlation energy, 71
Explosive
- Insensitive, 7, 56
- Primary, 7, 56
- Secondary, 7, 56
Extreme value statistics, 202, 203
FFailure diameter, 27, 30, 37, 40, 57
Fast simple wave (FSW), 114, 115, 120
Fictitious mass, 78
First principles method, 69
Flaw structure, 170, 175, 213, 215, 220, 228, 232
Flaws, fracture producing, 213, 233
Fractal fragmentation, 246, 247, 252
Fracture toughness, 208, 216, 217, 244, 270
Fragment distribution, 170
Fragment size, 208, 255
Fragment size, energy, 228-234, 255, 257
Fragment size, impulse, 215
Fragment velocities, 204
Fragmentation, 169, 237, 241
Fragmenting munitions, 210
Fused silica, 116, 132, 146, 164, 166
GGaudin distribution, 174, 175, 177, 181
Gaussian functions, 72
Generalized gradient approximation (GGA), 71
Geometric fragmentation, 177-187, 198
Geometric statistics, 170, 200
Gilvarry distribution, 175, 237, 247, 248
Gilvarry-Bergstrom sphere, 237-241, 247
Glass, quartz, 242, 244
Glen-Chudnovsky fragmentation, 230, 233, 234
Grady, 215, 249
Grady-Kipp fragmentation, 188, 190
Graphite, 242, 244, 246
Gumbel, 192, 203, 212, 218, 219
Gurney methods, 263, 265
HHazard function, 189, 192
Hazard function distribution, 188
Helices, 99-101
Heterogeneous explosive, 29, 34, 41, 43, 44, 48, 50, 52, 53, 55, 57, 58
High temperature grating, 140
Highest occupied molecular orbital (HOMO), 88
HMX (PBX-9501), 5-9, 12-15, 19, 34, 37-39, 45, 47, 48, 50, 53-55
Hohenberg-Kohn theorem, 69
Homogeneous explosive, 29, 41, 44, 48, 50-53, 55, 57, 58
Hopkinson bar fragmentation, 241-246
Horizon condition, 230
Hot spots, 41, 43, 44, 50, 52, 57, 58
Hugoniot, 11-13, 15-17, 23, 34, 38, 39, 49, 50, 58
Hydrodynamic turbulence, 250-252
IImpulse, 255, 257
Inclined parallel impact, 123, 125, 139
Interfacial slip, 155, 157, 159, 161
Internal measurement for P and S waves (IMPS) method, 110, 130, 131, 133
Inverted ζ-phase, 99
Isentropic compression experiment (ICE), 161
JJohnson-Mehl statistical theory, 195, 214
KKeyed gas gun, 116, 123, 148
Kick's law, 209
Kinetic energy cutoff, 73
Kinetic-energy fragmentation, 228-230
Kipp, 215, 249
Kohn-Sham DFT, 70
Kohn-Sham orbitals, 70
L Layered boat, 95, 96, 98
Lee elastic-plastic solution, 225
Lienau distribution, 174, 176, 177, 181, 183, 185, 187, 248
Local density approximation (LDA), 71
Logarithmic-normal fragment distribution, 172
Longitudinal wave, 109, 119, 123, 128, 129, 133, 143, 146, 151, 154, 157
lowest unoccupied molecular orbital (LUMO), 88
MMagnetic gauge, 16, 19, 45, 47-55
Maxwell distribution, 207
Molecular dynamics (MD), 76
Mott, 176, 181, 185, 190, 194, 208, 210, 212, 217, 218
Mott cylinder, 191, 193, 221
Mott distribution, 176, 194, 214
Mott fragmentation parameter, 194
Mott gamma parameter, 212
Mott theory, 191-196, 208, 210-212, 217
Mott wave, 192, 194, 218, 221-228, 230
Mott-Linfoot distribution, 176, 181-183, 187, 189, 190, 248, 249
Multimolecular collision, 80, 82
Munitions fragmentation, 170, 176, 177, 182, 188, 210, 211
NNDI, 138, 154
Nitromethane, 14, 30, 31, 33, 40, 42-44, 50-52
Normal velocity interferometry (NVI), 110, 134, 135, 139
Numerical Modeling, 55
Nylon-66, 147, 148, 166
OOFHC copper, 141, 142, 165
Oil shale, 242, 244
One Dimensional (1-D), 10, 11, 19, 22, 24, 27, 30, 38, 41, 56, 58
PParameter, 218
Peierls-like distortion, 90
Percolation theory, 200
Periodic boundary conditions, 74
Phase transformation, 142, 150, 162, 164-166
Phonon spectrum, 92
Pin switch, 17, 46
Plane wave basis set, 73
Plastic, 225
PMMA, 133, 146
Poisson distribution, 175, 176, 179, 202, 203
Poisson mixtures, 200
Poisson process, 175, 177, 187, 248
Poisson relation, 174
Poisson statistical process, 250
Poisson statistics, 174, 177, 178, 187, 248, 250
Polymeric nitrogen, 89
Pop-plot, 45, 47, 48, 50, 55
Potential energy surface (PES), 66, 75
Pressure dissociation, 66, 86
Proton transfer, 87
Pseudopotential, 74
RRate stick, 27, 31, 32, 37
Rayleigh line, 10, 11, 23
Reynolds number, 251
Rittinger's law, 209, 230, 241
Rosin-Rammler distribution, 174, 199-201, 246
SSandwich impact, 126
Sapphire, 146, 166
Scale invariance, 250-252
Schuhmann distribution, 174, 210, 238, 243, 244, 246, 247, 252
- "Shadow" technique, 137
Shear failure, 147, 148
Shear stress gauge, 138
Shear wave, 146-148, 150, 151, 153-155, 157, 162, 164
Shock Initiation (STD), 40-45, 47, 48, 50-52
Silicon carbide (SiC), 146
Simple cubic (SC), 90
Simple wave, 111, 114, 115, 119, 120
Six-member ring, 101
Size distribution, 170
Slow simple wave (SSW), 114-116, 120
Solution, 225
Sonic (point), 22, 23, 26, 29, 33, 37, 38, 56, 58
Space debris, 200
Spall fragmentation, 232, 233, 252, 262, 269
Spall strength, 230, 232, 233, 252, 254-258, 267
Static simulation, 76, 82
Steel, fragmentation, 217
Stress diffusion, 193, 221, 226
Super Detonation, 41, 42
TTATB (PBX-9502), 7, 8, 12, 13, 32, 34, 37, 38, 45-48, 50, 53, 54
Taylor wave, 21-26, 34, 35, 58
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