Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2002-03-14
J. Chem. Phys. 116, 10297 (2002)
Physics
Condensed Matter
Soft Condensed Matter
To be published in J. Chem. Phys
Scientific paper
10.1063/1.1475764
The supercooled dynamics of a Lennard-Jones model liquid is numerically investigated studying relevant points of the potential energy surface, i.e. the minima of the square gradient of total potential energy $V$. The main findings are: ({\it i}) the number of negative curvatures $n$ of these sampled points appears to extrapolate to zero at the mode coupling critical temperature $T_c$; ({\it ii}) the temperature behavior of $n(T)$ has a close relationship with the temperature behavior of the diffusivity; ({\it iii}) the potential energy landscape shows an high regularity in the distances among the relevant points and in their energy location. Finally we discuss a model of the landscape, previously introduced by Madan and Keyes [J. Chem. Phys. {\bf 98}, 3342 (1993)], able to reproduce the previous findings.
Angelani Luca
Di Leonardo Roberto
Ruocco Giancarlo
Scala Antonio
Sciortino Francesco
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