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Studies On Born-Mayer Potential Parameter For Ionic Crystal And Metal Crystal And Molecular Dynamics Simulation Of Argon

Posted on:2004-02-15Degree:MasterType:Thesis
Country:ChinaCandidate:S K HeFull Text:PDF
GTID:2120360095453004Subject:Atomic and molecular physics
Abstract/Summary:PDF Full Text Request
Equation Of States (EOS) under high-temperature and high-pressure is important to study for solids physics. In the first part of this paper, we use solids theory to get the EOS of ionic crystal and metal crystal, and use the datum of Hugoniot of many solid materials, and make use of the least-square program to get the Born-Mayer potential parameters. This Parameters can use in the theory calculation of EOS. In the second part of this paper, principle, method, potential's choose and use in EOS of Molecular Dynamics (MD) simulation was narrated. To conduct an experiment will spend much money and many times, so the theory calculation of EOS is important. In the end we use MD to calculate the EOS of Argon and the results is agreement with the Experiment's results.
Keywords/Search Tags:EOS, Born-Mayer potential, Least-Square algorithm, MD
PDF Full Text Request
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