Molecular dynamics of 16000 Lennard-Jones particles
β Scribed by A.F. Bakker; C. Bruin; F. van Dieren; H.J. Hilhorst
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 256 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0375-9601
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π SIMILAR VOLUMES
An MD simulJtlon of 216 ST? water n~oIccules between 12-6 Lennard-Jones \wlls has been performed which extend OI:Y 20 ps at an ;~\er+x temperature of 287 I;. The oxygen atom density profile is reported and the influence of the walls on the orientation of the ester molecules and on the sclfdiffusion
Systematic investigations of the viscosity coefficient of gases have been performed in the subcritical density region, using molecular dynamics. The model systems consisted of Lennard-Jones particles and of particles with a variant of the Lennard-Jones intermolecular potential. A comparison is made
The reorientational dynamics of an asymmetric top (a C2v symmetry triatomic) are investigated using molecular dynamics simulation. The angular momentum autocorrelation function / is non-exponential with a very long positive tail. The autocorrelation functions , and ~1 (t).&(O)> of three unit vector