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Relations between intergranular diffusion and structure: A molecular dynamics study

✍ Scribed by M. Guillope; G. Ciccotti; V. Pontikis

Book ID
104192434
Publisher
Elsevier Science
Year
1984
Weight
56 KB
Volume
144
Category
Article
ISSN
0167-2584

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✍ M. SokΓ³Ε‚; A. Dawid; Z. Dendzik; Z. Gburski πŸ“‚ Article πŸ“… 2004 πŸ› Elsevier Science 🌐 English βš– 248 KB

We carried out NPT ensemble classical molecular dynamics simulation of water in solid, liquid and gaseous state. The simulations were performed for two density cases-normal (r ΒΌ 1 g/cm 3 ) and lowered density (r ΒΌ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami