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Авторизация |
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Поиск по указателям |
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Raabe D. — Computational materials science |
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Предметный указатель |
Ab-initio approach 14 26 90 95 97
Ab-initio molecular dynamics 9 97
Abstraction 13
Acceleration of a dislocation 127
Acceleration of an atom 102
Accumulator unit 317
Activation energy 18
Activation energy, grain boundary motion 18
Adaptive linear element 320
Adiabatic Born — Oppenheimer approximation 27 87
Adjustable parameter 91
Airy’s scalar stress function 136 ff
Algebraic expression 18
Allen — Calm model 177 ff
Aluminum 91 199
Aluminum gallium arsenide 316
Amorphous 114
Analytical expression 6
Analytical result 35
Analytical solution 12 20
Andersen scheme 100 ff
Anisotropic 120
Anisotropic elastic field 118 131
Anisotropic elasticity 92 131
Annealed network 244
Annihilation 168
Ansatz, function 41 46 255
Ansatz, polynomial 251
Antibonding state 95 ff
Antisymmetric part, displacement gradient tensor 124 260
Antisymmetric part, velocity gradient tensor 260
Application 81
Application, Cahn — Hilliard 197 ff
Application, cellular automata 219 ff
Application, component model 235 ff
Application, dislocation dynamics 170 ff
Application, finite difference model 263 ff
Application, finite element model 263 ff
Application, geometrical model 235 ff
Application, molecular dynamics 104 ff
Application, Monte Carlo 81 ff
Application, network model 241 ff
Application, phase field kinetic model 197 ff
Application, polycrystal model 296 ff
Application, Potts model 229 ff
Application, self-consistent model 296 ff
Application, specific integrated circuit 317
Application, Taylor model 296 ff
Application, vertex model 241 ff
Appropriate simulation technique 12
Approximate solution 34 41 89 251
Arithmetic logic unit 317
Artificial microscopic system element 23
Artificial neural network 27 319
Artificial perturbation 103
Athermal dislocation dynamics 160
Atomic acceleration 22
Atomic basis function 95
Atomic bomb 64
Atomic charge density 96
Atomic cluster 114
Atomic displacement 95
Atomic function 95
Atomic non quantum gas 55 ff
Atomic nuclei 50
Atomic orbital 95
Atomic position 22
atomic scale 5 9 49
Atomic simulation 11 51
Atomic spacing 88
Atomic velocity 22
Atomistic 23 249
Atomistic simulation 51
Atomistic, dynamics 53
Atomistic, model 24 26
Atomistic, process 88
Atomistic, simulation 71 f 79 87 98 103
Attractive interatomic force 88 94
Average 16
Average constitutive law 9
Average description 250
Average ensemble 55 87
Average model 250
Average particle data 55
Average phenomenological law 115
Average time 55
Backstress 257 ff
Ballistic speed 316
Band energy 96
Band gap 92
Basis function 95
Benchmark 315
Benchmark, system 315
Benchmark, test 315
Binding, energy 94
Binding, type 89
Biological neuron 319
Bishop — Hill model 286 ff
bits 65
Bivalent logic concept 322
Boltzmann equation 35 64
BOND 89 ff
Bond order potential 9 94
Bond, anisotropy 93
Bond, charge density 96
Bond, chemical 94
Bond, covalent 89 93
Bond, directional 93
Bond, directionality 92 f
Bond, individual 93
Bond, interatomic 89
Bond, ionic 89 93
Bond, length 93
Bond, metallic 89
Bond, order 94
Bond, percolation 325
Bond, strength 93
Bond, theory 89
Bond, van der Waals 89 91
Bonding, chemistry 89
Bonding, state 95 f
Boolean 321
Bootstrap percolation 325
Border condition 103
Born — Mayer potential 89 94
Born — Oppenheimer approximation 27 50 87 89
Boson 16
Boundary 52
Boundary condition 6 12 20 30 103
Boundary condition, antiperiodic Mobius 103
Boundary condition, atomistic simulation 103
Boundary condition, Born — van Karman 103
Boundary condition, Cauchy 32 ff
Boundary condition, Dirichlet 32 ff
Boundary condition, finite elements 103
Boundary condition, generalized helical periodic 103
Boundary condition, Neumann 32 ff
Boundary condition, periodic 103
Boundary, dynamics 9 25 115
Boundary, elements 9
Boundary, heterophase 104
Boundary, homophase 104
Boundary, mobility 118
Boundary, plane 18
Boundary, segment 239
Boundary-initial-value problem 32
Boundary-value problem 30 ff 41 250
Bow-out criterion 154
Bragg — Williams — Gorsky model 9 78
Bridging of scales 113 303
| Brillouin zone 92
Broadening 24
Bulk properties 90
BWG model 78
C60 91
Cahn — Hilliard simulation 16 34 177 187 198
Cahn — Hilliard simulation, aluminum-copper 199
Cahn — Hilliard simulation, application 197 ff
Cahn — Hilliard simulation, elastic stresses 195 ff
Cahn — Hilliard simulation, example 199 ff
Cahn — Hilliard simulation, internal stress 199
Cahn — Hilliard simulation, microscopic 193 ff
Calculation speed 33
Calibration of models 33 116
canonical ensemble 51 56 72
Canonical ensemble, discrete energies 58
Canonical ensemble, grand 56
Canonical ensemble, macro 56
Canonical ensemble, micro 56
Canonical partition function 58 ff
Capacitor 315
Capillary pressure 214
Cartesian coordinates 101
Cauchy, boundary condition 32 ff
Cauchy, pressure 93
Cauchy, relations 92
Cauchy, stress tensor 261
Ceccaldi, D. 28
Cellular automata 5 9 24 115 201
Cellular automata, applications 219 ff
Cellular automata, binary code 207
Cellular automata, complex systems 202 ff
Cellular automata, dendrites 204
Cellular automata, deterministic 11 117 201 219
Cellular automata, discrete evolution of complex systems 202 ff
Cellular automata, discretized finite difference solution 206
Cellular automata, dislocation kink formation 204
Cellular automata, evolution of dynamic systems 202
Cellular automata, examples 221 ff
Cellular automata, formal description 205 ff
Cellular automata, formation of dendritic grain structures 204
Cellular automata, general rules 202 ff
Cellular automata, generalized state variable 201 f 219
Cellular automata, global transformation rule 203 f
Cellular automata, grain growth 221
Cellular automata, growth of two phase grain structures 204
Cellular automata, lattice gas 209 219
Cellular automata, local interaction 205 f
Cellular automata, local transformation rule 116 203
Cellular automata, macroscale 116
Cellular automata, mesh types 212 ff
Cellular automata, mesoscale applications 116
Cellular automata, micostructure evolution 204
Cellular automata, Moore neighboring 208
Cellular automata, neighboring 206
Cellular automata, neighboring, Moore 206
Cellular automata, neighboring, von Neumann 206
Cellular automata, non-totalistic 207
Cellular automata, optimization 212
Cellular automata, outer totalistic 207
Cellular automata, partial differential equation 206
Cellular automata, probabilistic 11 201 206 219
Cellular automata, rate equation 204
Cellular automata, reaction-diffusion system 219
Cellular automata, recrystallization 219 ff
Cellular automata, scaling length 212 ff
Cellular automata, sintering 204
Cellular automata, solidification 204 219
Cellular automata, spatial and temporal evolution of complex systems 202 ff
Cellular automata, stochastic 204 208 221
Cellular automata, storage limitation 212 ff
Cellular automata, totalistic 207 f
Cellular automata, traffic 116
Cellular automata, transformation rule 201 ff 219
Cellular automata, variable update 118
Cellular automata, von Neumann neighboring 208
Central difference method 33 ff
Central difference quotient 38
Central interaction 91 ff
Central limit theorem of probability theory 61
Central processor unit 315 ff
Ceramics 104 114
Channel, dislocation 114
Channel, length 316
Characteristic equation 323
Characteristic function 56
Characteristic polynom 126
Characteristic scales 5 ff
Characteristic scaling length 212 ff 305
Charge, carrier 316
Charge, density function 96
Charge, transfer 89
Chemical bond 94
Chemical composition 5
Chemical equation of state 155 ff
chemical potential 55 73 78 182
Chemical structure evolution equation 162
Chip performance 315
CISC 315 317
Classical pair potential 90 92
Classical particle 73
Classification 5 24
Classification, of models 23 ff
Classification, of simulation techniques 116
Classification, physical 5
Classification, spatial 5
Classification, spatial dimension 24 ff
Classification, spatial discretization 24 ff
Classification, spatial resolution 23 ff
Cluster 115
Cluster, model 9
Cluster, variation method 9 78
CMOSFET 316
Coarsened network 244
Cohesion 89 ff
Coincidence site lattice 103
Collective behavior 5
Collison event 66
Coloumb interaction of nuclei 91
Combination unit 317
Commercial metal 120
Compatibility 24 127
Competitive isostructural ripening 197
Competitive particle ripening 25 178 198
Complementary field-effect transistor 315
Complementary metal oxide field-effect transistor 316
Complex, alloys 9
Complex, instruction set 315 317
Complex, loading situation 258
Complex, systems 201
Complicated shape 250
Component model 233 ff
Composite 114
Computation time 93
Computational materials science 9 12 28 249
Computational materials science, definitions 13 ff
Computational materials science, fundamentals 5 ff
Computational materials science, introduction 5 ff
Computational micromechanics 24
Computational microstructure mechanics 24
Computer, architecture 315 ff
Computer, architecture, logical subdivision 317
Computer, architecture, MIMD 317
Computer, architecture, MISD 317
Computer, architecture, multiple instruction stream-multiple data stream 317
Computer, architecture, multiple instruction stream-single data stream 317
Computer, architecture, parallel 315
Computer, architecture, pipeline 315 317
Computer, architecture, register 317
Computer, architecture, SIMD 317
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