| Autor: |
La Penna, G., Minicozzi, V., Morante, S., Rossi, G.C. |
| Předmět: |
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| Zdroj: |
International Journal of Modern Physics C: Computational Physics & Physical Computation; Feb2004, Vol. 15 Issue 2, p205-221, 17p |
| Abstrakt: |
We show that the dramatic dependence of pressure on the parameters of the inter-molecular potential can be exploited to tune them to their best values. We support the viability of this strategy by a careful study of a fully diffusive Lennard–Jones fluid, showing that Lennard–Jones parameters can be easily optimized to better than a 1% accuracy. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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