Potential energy landscape equation of state

被引:69
作者
La Nave, E
Mossa, S
Sciortino, F
机构
[1] Univ Roma La Sapienza, Dipartimento Fis, INFM UdR, I-00185 Rome, Italy
[2] Univ Roma La Sapienza, INFM, Ctr Stat Mech & Complex, I-00185 Rome, Italy
[3] Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA
[4] Boston Univ, Dept Phys, Boston, MA 02215 USA
关键词
D O I
10.1103/PhysRevLett.88.225701
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Depth, number, and shape of the basins of the potential energy landscape are the key ingredients of the inherent structure thermodynamic formalism introduced by Stillinger and Weber [F. H. Stillinger and T. A. Weber, Phys. Rev. A 25, 978 (1982)]. Within this formalism, an equation of state based only on the volume dependence of these landscape properties is derived. Vibrational and configurational contributions to pressure are sorted out in a transparent way. Predictions are successfully compared with data from extensive molecular dynamics simulations of a simple model for the fragile liquid orthoterphenyl.
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页数:4
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