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Relations between intergranular diffusion and structure: A molecular dynamics study

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

Book ID
118985749
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
575 KB
Volume
144
Category
Article
ISSN
0039-6028

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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