X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (4735) 4735
Publication (402) 402
Book Chapter (196) 196
Conference Proceeding (196) 196
Dissertation (39) 39
Government Document (17) 17
Book Review (13) 13
Book / eBook (4) 4
Magazine Article (2) 2
Reference (1) 1
Streaming Video (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
atomistic simulation (2266) 2266
materials science, multidisciplinary (1761) 1761
atomistic simulations (1298) 1298
chemistry, physical (1071) 1071
molecular dynamics (1063) 1063
analysis (719) 719
molecular-dynamics (703) 703
physics, condensed matter (687) 687
physics, applied (645) 645
computer simulation (637) 637
simulation (587) 587
metallurgy & metallurgical engineering (586) 586
deformation (399) 399
nanoscience & nanotechnology (398) 398
mechanics (388) 388
physics, atomic, molecular & chemical (380) 380
dislocations (373) 373
molekulardynamik (373) 373
diffusion (336) 336
molecular-dynamics simulations (330) 330
materials science (316) 316
mathematical models (309) 309
molekulardynamische simulation (306) 306
index medicus (302) 302
metals (297) 297
molecular-dynamics simulation (273) 273
dynamics (271) 271
chemistry, multidisciplinary (264) 264
models (253) 253
model (246) 246
computer-simulation (245) 245
defects (241) 241
mechanical-properties (238) 238
grain boundaries (237) 237
copper (234) 234
alloys (231) 231
molecular dynamics simulation (223) 223
nucleation (220) 220
thermodynamics (219) 219
behavior (216) 216
crystals (214) 214
temperature (213) 213
nanoindentation (205) 205
adsorption (204) 204
force-field (204) 204
mechanical engineering (203) 203
water (200) 200
polymer science (199) 199
silicon (199) 199
nanostructure (195) 195
fracture (193) 193
mechanical properties (190) 190
simulations (188) 188
mathematical analysis (186) 186
energy (185) 185
dislocation (182) 182
dislocation nucleation (173) 173
strength (173) 173
plasticity (171) 171
physics (169) 169
ab-initio (166) 166
growth (165) 165
nanotechnology (158) 158
transport (155) 155
atomistic (154) 154
aluminum (153) 153
chemical properties (153) 153
physics, multidisciplinary (152) 152
interatomic potentials (150) 150
stress (149) 149
surface (149) 149
chemistry (148) 148
polymers (146) 146
nickel (145) 145
atomistic modeling (143) 143
stability (141) 141
microstructure (137) 137
iron (136) 136
atomistic models (134) 134
interfaces (132) 132
research (132) 132
condensed matter (130) 130
mechanisms (128) 128
transition (122) 122
korngrenze (121) 121
plastic-deformation (119) 119
thin-films (119) 119
elastic properties (115) 115
engineering, electrical & electronic (115) 115
graphene (115) 115
multidisciplinary sciences (115) 115
screw dislocations (114) 114
usage (114) 114
engineering, mechanical (113) 113
hydrogen (109) 109
nanoparticles (109) 109
algorithms (106) 106
fcc metals (106) 106
mathematics, interdisciplinary applications (105) 105
computer science, interdisciplinary applications (103) 103
more...
Library Location Library Location
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (5037) 5037
Chinese (34) 34
Japanese (33) 33
Korean (15) 15
Portuguese (4) 4
German (3) 3
Russian (3) 3
Spanish (2) 2
French (1) 1
Ukrainian (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Scripta Materialia, ISSN 1359-6462, 05/2016, Volume 117, pp. 51 - 54
The core structure and glide behavior of a 〈c+a〉 screw dislocation in Mg is studied using molecular dynamics simulations at 0K, 70K and 300K. We find that slip... 
Atomistic simulations | Mg alloys | Nonbasal deformation modes | Molecular dynamics | Alloys | Planes | Molecular structure | Simulation | Aircraft detection | Cross slip | Screw dislocations | Glide | Dislocations
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 02/2015, Volume 119, Issue 5, pp. 817 - 825
Direct dynamics simulations were used to study dissociation of the [CH3--I--OH]− complex ion, which was observed in a previous study of the OH– + CH3I gas... 
HYDROGEN | TEMPERATURE | SYMPLECTIC INTEGRATION | ATOMISTIC MECHANISMS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SYSTEMS | EXCHANGE-CORRELATION FUNCTIONALS | ELECTRONIC-STRUCTURE THEORY | GAUSSIAN-BASIS SETS
Journal Article
Journal of Physics: Condensed Matter, ISSN 0953-8984, 09/2009, Volume 21, Issue 37, pp. 373101 - 373101 (17)
Ionic liquids are salts that are liquid near ambient conditions. Interest in these unusual compounds has exploded in the last decade, both at the academic and... 
PHYSICS, CONDENSED MATTER | GAS SOLUBILITY | BIAS MONTE-CARLO | TRANSPORT-PROPERTIES | 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE | KERR-EFFECT SPECTRA | FORCE-FIELD | TEMPERATURE MOLTEN-SALTS | CARBON-DIOXIDE | 1-N-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE | ATOMISTIC SIMULATION
Journal Article
Soft Matter, ISSN 1744-683X, 1/2013, Volume 9, Issue 7, pp. 218 - 2119
Multiscale modelling of soft matter is an emerging field that has made rapid progress in the past decade. Several methods for systematic coarse-graining of... 
PAIR POTENTIALS | POLYMER SCIENCE | PHYSICS, MULTIDISCIPLINARY | MATERIALS SCIENCE, MULTIDISCIPLINARY | TRANSFERABILITY | CHEMISTRY, PHYSICAL | POTENTIAL FUNCTIONS | ATOMISTIC SIMULATIONS | MOLECULAR-DYNAMICS SIMULATION | POLYMER MELTS | POLYSTYRENE | MODELS | LIQUID WATER | FORCE-FIELD
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 02/2011, Volume 50, Issue 9, pp. 1996 - 2013
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 09/2006, Volume 110, Issue 36, pp. 17776 - 17783
Journal Article
Journal of Physics D: Applied Physics, ISSN 0022-3727, 03/2015, Volume 48, Issue 11, p. 115302
In this paper, we investigated the interaction of an edge dislocation with Cu precipitates with a spherical geometry and with Cu-Ni precipitates that possess a... 
atomistic simulation | reactor pressure vessel steels | Cu cluster | structural materials | MICROSTRUCTURAL EVOLUTION | PHYSICS, APPLIED | REACTOR | DISLOCATION | ALLOYS | MECHANISMS | PRESSURE-VESSEL STEELS | NUCLEATION
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 07/2017, Volume 38, Issue 19, pp. 1727 - 1739
Journal Article