We present a non-equilibrium molecular dynamics simulation of 125 methane molecules using a variant of the isokinetic "sllod" algorithm. The shear viscosity, pressure and internal energy of methane in a dense, supercritical fluid state (temperature 285.7 K and mass density 0.288 g/cm3) are calculate
On multiscale non-equilibrium molecular dynamics simulations
β Scribed by Shaofan Li; Ni Sheng
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 988 KB
- Volume
- 83
- Category
- Article
- ISSN
- 0029-5981
- DOI
- 10.1002/nme.2849
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