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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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