Application of phenomenological freezing and melting indicators to the exp-6 and Gaussian core potentialsReport as inadecuate




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* Corresponding author 1 Theory 2 CNR IPCF - Consiglio Nazionale delle Ricerche Messina

Abstract : We apply two simple analytical melting and freezing indicators proposed earlier to the two exemplary systems exhibiting anomalous melting behavior, $\exp-6$ and Gaussian core models. It is shown that the main anomalous feature - reentrant melting regime - is well reproduced. Detailed comparison with the available data from numerical simulations demonstrates that the agreement is merely qualitative. This implies that in general these indicators should be used with some care for purposes other than rough estimates of the location of the fluid-solid phase change.

Keywords : Physical Sciences





Author: Sergey Khrapak - Franz Saija -

Source: https://hal.archives-ouvertes.fr/



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