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Non-equilibrium molecular dynamics integrators using Maple

✍ Scribed by Debra J. Searles; Dennis J. Isbister; Denis J. Evans


Book ID
108453734
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
151 KB
Volume
45
Category
Article
ISSN
0378-4754

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Non-equilibrium molecular dynamics simul
✍ A.D. Simmsons; P.T. Cummings πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 603 KB

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