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Feldshtein I. V., Hori H. On the choice of parameters in molecular-dynamic simulation. Izvestiya VUZ. Applied Nonlinear Dynamics, 2000, vol. 8, iss. 2, pp. 24-30.

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Language: 
Russian
Heading: 
Applied Problems of Nonlinear Oscillation and Wave Theory
Article type: 
Article
UDC: 
519.876

On the choice of parameters in molecular-dynamic simulation

Autors: 
Feldshtein Ilia Valerevich, Japan Advanced Institute of Science and Technology (JAIST)
Hori Hidenobu, Japan Advanced Institute of Science and Technology (JAIST)
Abstract: 

This paper consideres an approach to the choice of optimal parameters of interparticel potential in molecular—dynamic simulation. The approach proposed is based on the analysis of equation of state dependance on the potential parameters. The optimal choice is the one giving the best fit to the experimental data. The applications of the approach in the cases of argon and neon аt high pressures (hundreds MPa) are presented.

Key words: 
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Reference: 
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Received: 
04.11.1999
Accepted: 
09.02.2000
Published: 
25.05.2000
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