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Title: The equation of state of an energy landscape

Abstract

The topography of the multidimensional potential energy landscape is receiving much attention as a useful object of study for understanding complex behavior in condensed-phase systems. Examples include protein folding, the glass transition, and fracture dynamics in solids. The manner in which a system explores its underlying energy landscape as a function of temperature offers insight into its dynamic behavior. Similarly, sampling in density, in particular the relationship between the pressure of mechanically stable configurations and their bulk density (the equation of state of the energy landscape), provides fresh insights into the mechanical strength of amorphous materials and suggests a previously unexplored connection with the spinodal curve of a superheated liquid. Mean-field calculations show a convergence at low temperature between the superheated liquid spinodal and the pressure-dependent Kauzmann locus, along which the difference in entropy between a supercooled liquid and its stable crystalline form vanishes. This convergence appears to have implications for the glass transition. Application of these ideas to water sheds new light into this substance`s behavior under conditions of low-temperature metastability with respect to its crystalline phases.

Authors:
; ;  [1];  [2]
  1. Princeton Univ., NJ (United States). Dept. of Chemical Engineering
  2. Lucent Technologies, Murray Hill, NJ (United States). Bell Labs.|[Princeton Univ., NJ (United States). Princeton Materials Inst.
Publication Date:
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
691289
DOE Contract Number:  
FG02-87ER13714
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical
Additional Journal Information:
Journal Volume: 103; Journal Issue: 35; Other Information: PBD: 2 Sep 1999
Country of Publication:
United States
Language:
English
Subject:
40 CHEMISTRY; POTENTIAL ENERGY; MATHEMATICAL MODELS; BRITTLE-DUCTILE TRANSITIONS; BULK DENSITY; ENTROPY; CRYSTALLIZATION

Citation Formats

Debenedetti, P.G., Truskett, T.M., Roberts, C.J., and Stillinger, F.H. The equation of state of an energy landscape. United States: N. p., 1999. Web. doi:10.1021/jp991384m.
Debenedetti, P.G., Truskett, T.M., Roberts, C.J., & Stillinger, F.H. The equation of state of an energy landscape. United States. doi:10.1021/jp991384m.
Debenedetti, P.G., Truskett, T.M., Roberts, C.J., and Stillinger, F.H. Thu . "The equation of state of an energy landscape". United States. doi:10.1021/jp991384m.
@article{osti_691289,
title = {The equation of state of an energy landscape},
author = {Debenedetti, P.G. and Truskett, T.M. and Roberts, C.J. and Stillinger, F.H.},
abstractNote = {The topography of the multidimensional potential energy landscape is receiving much attention as a useful object of study for understanding complex behavior in condensed-phase systems. Examples include protein folding, the glass transition, and fracture dynamics in solids. The manner in which a system explores its underlying energy landscape as a function of temperature offers insight into its dynamic behavior. Similarly, sampling in density, in particular the relationship between the pressure of mechanically stable configurations and their bulk density (the equation of state of the energy landscape), provides fresh insights into the mechanical strength of amorphous materials and suggests a previously unexplored connection with the spinodal curve of a superheated liquid. Mean-field calculations show a convergence at low temperature between the superheated liquid spinodal and the pressure-dependent Kauzmann locus, along which the difference in entropy between a supercooled liquid and its stable crystalline form vanishes. This convergence appears to have implications for the glass transition. Application of these ideas to water sheds new light into this substance`s behavior under conditions of low-temperature metastability with respect to its crystalline phases.},
doi = {10.1021/jp991384m},
journal = {Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical},
number = 35,
volume = 103,
place = {United States},
year = {1999},
month = {9}
}