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Structure and dynamics of water—molecular dynamics study

✍ Scribed by M. Sokół; A. Dawid; Z. Dendzik; Z. Gburski

Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
248 KB
Volume
704
Category
Article
ISSN
0022-2860

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✦ Synopsis

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 ¼ 1 g/cm 3 ) and lowered density (r ¼ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynamical properties are compared to earlier experimental and simulated results.

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