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Year of publication
Subject
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Molecular dynamics 57 Molecular dynamics simulation 10 02.70.Ns Molecular dynamics and particle methods 6 molecular dynamics 6 Molecular Dynamics 4 31.15.Qg Molecular dynamics and other numerical methods 3 Diffusion 3 Lennard-Jones particle system 3 Lennard–Jones 3 Non-equilibrium molecular dynamics 3 1D lattice 2 61.80.Jh Ion radiation effects 2 65.80.+n Thermal properties of small particles 2 71.15.Mb Density functional theory 2 71.15.Pd Molecular dynamics calculations 2 Brownian dynamics 2 Energy localization 2 Gas–liquid flow 2 Go model 2 Impurity 2 Molecular dynamics simulations 2 Monte Carlo 2 Relaxation 2 Supercooled liquid 2 and nanotubes 2 gradient and other corrections 2 hydrate 2 local density approximation 2 nanocrystals 2 05.20.Dd Kinetic theory 1 05.20.Jj Statistical mechanics of classical fluids 1 05.40.-a Fluctuation phenomena 1 05.45.Jn High-dimensional chaos 1 05.45.Pq Numerical simulations of chaotic systems 1 05.90.+m Other topics in statistical physics 1 25.75.Nq Quark deconfinement 1 31.15.xv Molecular dynamics and other numerical methods 1 34.20.Cf Interatomic potentials and forces 1 36.40.Wa Charged clusters 1 46.50.+a Fracture mechanics 1
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Online availability
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Undetermined 98 Free 3
Type of publication
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Article 101 Book / Working Paper 1
Language
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Undetermined 99 English 3
Author
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English, Niall J. 4 Appignanesi, G.A. 3 Cieplak, Marek 3 Frechero, M.A. 3 Inaoka, Hajime 3 Ito, Nobuyasu 3 Jin, Zhun-Zhi 3 Zhong, Z.W. 3 Zou, Xian-Wu 3 Alarcón, L.M. 2 Bertolus, M. 2 Defranceschi, M. 2 Hess, Siegfried 2 Huang, Sheng-You 2 Lim, M.C.G. 2 Lu, C. 2 Montani, R.A. 2 Okumura, Hisashi 2 Ribeiro, F. 2 Yukawa, Satoshi 2 ZHAO, YA-PU 2 Zaoui, A. 2 Zhang, Wen-Bing 2 Abbaspour, Mohsen 1 Alder, B. 1 Allen, Michael P. 1 Amor, Daniel R. 1 Anh, Vo 1 Asinari, Pietro 1 Azimian, A.R. 1 Bagnoli, Franco 1 Bandow, Bernhard 1 Baras, F. 1 Barber, J. 1 Barbieri, A 1 Barbosa, Marcia C. 1 Barros de Oliveira, Alan 1 Bavanar, Jayanth R. 1 Bedeaux, D. 1 Bellesia, Giovanni 1
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Institution
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Santa Fe Institute 1
Published in...
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Physica A: Statistical Mechanics and its Applications 71 The European Physical Journal B - Condensed Matter and Complex Systems 14 Surface Review and Letters (SRL) 5 Energies 3 Energy 2 Applied Energy 1 International Journal of Green Computing (IJGC) 1 International Journal of Manufacturing, Materials, and Mechanical Engineering (IJMMME) 1 Journal of Nanotoxicology and Nanomedicine (JNN) 1 Mathematics and Computers in Simulation (MATCOM) 1 Natural Hazards 1 Working Papers / Santa Fe Institute 1
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Source
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RePEc 99 Other ZBW resources 3
Showing 41 - 50 of 102
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MOLECULAR DYNAMICS SIMULATION OF ADHESION FORCES IN A DIPALMITOYLPHOSPHATIDYLCHOLINE MEMBRANE
YIN, JUN; ZHAO, YA-PU - In: Surface Review and Letters (SRL) 14 (2007) 04, pp. 671-675
Adhesion forces of Dipalmitoylphosphatidylcholine (DPPC) membrane in the gel phase are investigated by molecular … dynamics (MD) simulation. In the simulations, individual DPPC molecules are pulled out of DPPC membranes with different rates …
Persistent link: https://www.econbiz.de/10005080614
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SIZE-DEPENDENT ELASTIC PROPERTIES OF Ni NANOFILMS BY MOLECULAR DYNAMICS SIMULATION
YANG, ZHENYU; ZHAO, YA-PU - In: Surface Review and Letters (SRL) 14 (2007) 04, pp. 661-665
Size-dependent elastic properties of Ni nanofilms are investigated by molecular dynamics (MD) simulations with embedded …
Persistent link: https://www.econbiz.de/10005080647
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Dispersion and thermal resistivity in silicon nanofilms by molecular dynamics
Heino, P. - In: The European Physical Journal B - Condensed Matter and … 60 (2007) 2, pp. 171-179
molecular dynamics (MD) techniques. Modifications to the dispersion relation are calculated directly with MD methods at high …
Persistent link: https://www.econbiz.de/10009279950
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From compact point defects to extended structures in silicon
Du, Y. A.; Hennig, R. G.; Lenosky, T. J.; Wilkins, J. W. - In: The European Physical Journal B - Condensed Matter and … 57 (2007) 3, pp. 229-234
First-principles studies of the formation and dynamics of silicon interstitial-clusters suggest a possible growth mechanism of silicon interstitial-chains as seen in macroscopic 311 planar defects. The relative populations of the three lowest-energy silicon tri-interstitials equilibrate within a...
Persistent link: https://www.econbiz.de/10009281826
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Mechanisms of amorphization-induced swelling in silicon carbide: the molecular dynamics answer
Bertolus, M.; Ribeiro, F.; Defranceschi, M. - In: The European Physical Journal B - Condensed Matter and … 60 (2007) 4, pp. 423-433
molecular dynamics (CMD) simulations. Heavy ion irradiation has been assumed to affect the material in two successive steps (a … crystalline SiC sample at constant volume (b) induced swelling, determined through relaxation using Molecular Dynamics at constant …
Persistent link: https://www.econbiz.de/10009281876
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Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential
Barros de Oliveira, Alan; Barbosa, Marcia C.; Netz, Paulo A. - In: Physica A: Statistical Mechanics and its Applications 386 (2007) 2, pp. 744-747
Using molecular dynamics simulations and integral equations wee investigate the structure, the thermodynamics, and the …
Persistent link: https://www.econbiz.de/10010873622
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Integral relations, a simplified method to find interfacial resistivities for heat and mass transfer
Ge, Jialin; Bedeaux, D.; Simon, J.M.; Kjelstrup, S. - In: Physica A: Statistical Mechanics and its Applications 385 (2007) 2, pp. 421-432
profile through the interface. The expressions were verified in earlier work using non-equilibrium molecular dynamics …
Persistent link: https://www.econbiz.de/10010874518
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Negative heat capacity of Ar55 cluster
Eryürek, M.; Güven, M.H. - In: Physica A: Statistical Mechanics and its Applications 377 (2007) 2, pp. 514-522
The solid–liquid phase transitions of Ar55 cluster was simulated by the microcanonical molecular dynamics and …
Persistent link: https://www.econbiz.de/10011059738
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Slow relaxation in heterogeneous Hamiltonian systems: Numerical study compared with Landau–Teller approximation
Watanabe, Yoshihiro; Fuchikami, Nobuko - In: Physica A: Statistical Mechanics and its Applications 378 (2007) 2, pp. 315-328
We performed numerical simulations on a one-dimensional diatomic gas to investigate the possible long time scale in Hamiltonian systems with internal degrees of freedom. In the limit of the large system size, the time scale for energy sharing between the translational motion and the vibrational...
Persistent link: https://www.econbiz.de/10011060172
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Particle mobility and metabasin exploration in model glass-formers
Appignanesi, G.A.; Frechero, M.A.; Alarcón, L.M. - In: Physica A: Statistical Mechanics and its Applications 374 (2007) 1, pp. 229-238
In this work, we assess the relevance of different range particle displacements and string motions to the metabasin (MB) dynamics of a simple glass former. We find that MB transitions are triggered by the occurrence of massive rearrangements termed as “democratic clusters” or d-clusters...
Persistent link: https://www.econbiz.de/10011062157
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