The techniques which allow the numerical evaluation of the statistical properties of the potential energy landscape for models of simple liquids are reviewed and critically discussed. Expressions for the liquid free energy and its vibrational and configurational components are reported. Finally, a possible model for the statistical properties of the landscape, which appears to describe correctly fragile liquids in the region where equilibrium simulations are feasible, is discussed.
Numerical evaluation of the statistical properties of a potential energy landscape / LA NAVE, Emilia; Sciortino, Francesco; Tartaglia, Piero; DE MICHELE, Cristiano; Mossa, Stefano. - In: JOURNAL OF PHYSICS. CONDENSED MATTER. - ISSN 0953-8984. - STAMPA. - 15:11(2003), pp. S1085-S1094. (Intervento presentato al convegno 3rd Workshop on Non-Equilibrium Phenomena in Supercooled Fluids, Glasses, and Amorphous Materials tenutosi a PISA, ITALY nel SEP 22-27, 2002) [10.1088/0953-8984/15/11/330].
Numerical evaluation of the statistical properties of a potential energy landscape
LA NAVE, EMILIA;SCIORTINO, Francesco;TARTAGLIA, Piero;DE MICHELE, CRISTIANO;MOSSA, Stefano
2003
Abstract
The techniques which allow the numerical evaluation of the statistical properties of the potential energy landscape for models of simple liquids are reviewed and critically discussed. Expressions for the liquid free energy and its vibrational and configurational components are reported. Finally, a possible model for the statistical properties of the landscape, which appears to describe correctly fragile liquids in the region where equilibrium simulations are feasible, is discussed.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
