Search Results - subject:"molecular dynamics"

Anisotropic plasticity with embedded-atom potentials

Hoover, Wm.G; Hess, Siegfried - In: Physica A: Statistical Mechanics and its Applications 267 (1999) 1, pp. 98-110

Embedded-atom potentials are a useful supplement to pair potentials in the modelling of defects and metal plasticity. Here we emphasize the steady isothermal shear deformation of two-dimensional models made up of many interacting grains. The embedded-atom-plus-pairs potential can provide very...

Persistent link: https://www.econbiz.de/10010664857

Structure and growth of the cluster in gas–liquid transition of two-dimensional fluid

Zhang, Wen-Bing; Zou, Xian-Wu; Jin, Zhun-Zhi; Tian, De-Cheng - In: Physica A: Statistical Mechanics and its Applications 272 (1999) 1, pp. 12-21

Molecular dynamics simulations have been performed for a two-dimensional fluid with truncated Morse potential quenched …

Persistent link: https://www.econbiz.de/10011057979

Subharmonic surface waves in vibrated granular media11Partially supported by the Israel Science Foundation.

Rapaport, D.C. - In: Physica A: Statistical Mechanics and its Applications 249 (1998) 1, pp. 232-238

vertical vibration. The only dissipative forces included in this two-dimensional molecular dynamics simulation act normally to …

Persistent link: https://www.econbiz.de/10010874209

A study of rupture process of thin liquid films by a molecular dynamics simulation

Hwang, Chi-Chuan; Hsieh, Jin-Yuan; Chang, Kuo-Hsiung; … - In: Physica A: Statistical Mechanics and its Applications 256 (1998) 3, pp. 333-341

Three-dimensional ruptures in both thin films on plates and free thin films have been studied, using molecular dynamics …

Persistent link: https://www.econbiz.de/10010874732

Wetting and drying of a rigid substrate under variation of the microscopic details

Bruin, C. - In: Physica A: Statistical Mechanics and its Applications 251 (1998) 1, pp. 81-94

Wetting and drying of a rigid substrate by a Lennard–Jones fluid in molecular dynamics simulations is reported. The …

Persistent link: https://www.econbiz.de/10010871679

Statistical thermodynamics of cluster phase transitions

Strachan, A.; Dorso, C.O. - In: Physica A: Statistical Mechanics and its Applications 257 (1998) 1, pp. 526-529

We study phase transitions of two-dimensional Lennard-Jones drops. A wide excitation energy range is studied, which encompasses the solid-like to liquid-like phase transition, the weakly evaporating liquid drop and multifragmentation. We are able to calculate the caloric curve for the whole...

Persistent link: https://www.econbiz.de/10010872134

Tessellation of binary assemblies of spheres

Richard, P.; Oger, L.; Troadec, J.P.; Gervois, A. - In: Physica A: Statistical Mechanics and its Applications 259 (1998) 1, pp. 205-221

different algorithms: collective reorganization, random deposition or molecular dynamics interaction. Both topological and …

Persistent link: https://www.econbiz.de/10011057502

Quantum transport properties of composite materials by generalized molecular dynamics method in Wigner formulation of quantum mechanics

Filinov, Vladimir S.; Oparin, Alexei M. - In: Physica A: Statistical Mechanics and its Applications 241 (1997) 1, pp. 393-397

materials and disordered system of scatterershas been developed. Approach combines both molecular dynamics and Monte Carlo …

Persistent link: https://www.econbiz.de/10010587576

Poiseuille flow of molecular fluids

Travis, Karl P.; Todd, B.D.; Evans, Denis J. - In: Physica A: Statistical Mechanics and its Applications 240 (1997) 1, pp. 315-327

theoretical predictions for flow velocity and viscosity with results obtained from nonequilibrium molecular dynamics (NEMD …

Persistent link: https://www.econbiz.de/10010586647

On the validity of hydrodynamics in plane Poiseuille flows

Malek Mansour, M.; Baras, F.; Garcia, Alejandro L. - In: Physica A: Statistical Mechanics and its Applications 240 (1997) 1, pp. 255-267

Microscopic simulations of plane Poiseuille flow for a dilute gas are presented. Although the flow is laminar (Reynolds number ≈10) and sub-sonic, the temperature and pressure profiles measured in the simulations differ qualitatively from the hydrodynamic predictions. The results are in...

Persistent link: https://www.econbiz.de/10011059884