Application of phenomenological freezing and melting indicators to exp-6 and Gaussian core potentials
Articolo
Data di Pubblicazione:
2011
Abstract:
We apply two simple analytical melting and freezing indicators proposed earlier to the two exemplary systems
exhibiting anomalous melting behaviour, exp-6 and Gaussian core models. It is shown that the main anomalous
feature - re-entrant melting regime - is well reproduced. Detailed comparison with the available data from
numerical simulations demonstrates, however, 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.
exhibiting anomalous melting behaviour, exp-6 and Gaussian core models. It is shown that the main anomalous
feature - re-entrant melting regime - is well reproduced. Detailed comparison with the available data from
numerical simulations demonstrates, however, 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.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
melting and freezing; re-entrant melting; melting indicator; exp-6 potential; Gaussian core model
Elenco autori:
Saija, Franz
Link alla scheda completa:
Pubblicato in: