Giuffrè, Emanuela and Saija, Franz (2007) Melting line of Krypton in extreme thermodynamic regimes. Atti della Accademia Peloritana dei Pericolanti, Classe di Scienze FF.MM.NN, LXXXV. ISSN 1825-1242
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Abstract
We have performed extensive computer simulations of the thermodynamic and structural properties of the krypton rare gas modeled by the modified Buckingham exponential-6 interatomic potential. Using a new set of potential parameters, we have found a good agreement with the room temperature equation of state at very high pressure obtained by diamond anvil cell experiments. Moreover, the melting line of the model has been estimated through the Lindemann criterion; the agreement with the low-pressure experiments is excellent, whereas at higher pressure, the model poorly reproduces the typical softening of the experimental melting curve.
| Item Type: | Article |
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| Subjects: | M.U.S. - Contributi Scientifici > 02 - Scienze fisiche M.U.S. - Miscellanea > Atti Accademia Peloritana > Classe di Scienze Fisiche, Matematiche e Naturali |
| Depositing User: | Mr Nunzio Femminò |
| Date Deposited: | 16 Apr 2007 |
| Last Modified: | 13 Apr 2010 11:17 |
| URI: | http://cab.unime.it/mus/id/eprint/427 |
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