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Thermodynamics and dynamics of the two-scale spherically symmetric Jagla ramp model of anomalous liquids
 

Summary: Thermodynamics and dynamics of the two-scale spherically symmetric Jagla ramp model
of anomalous liquids
Limei Xu,1
Sergey V. Buldyrev,2,1
C. Austen Angell,3
and H. Eugene Stanley1
1
Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts, 02215 USA
2
Department of Physics, Yeshiva University, 500 West 185th Street, New York, NY 10033 USA
3
Department of Chemistry, Arizona State University, Tempe, Arizona 85287 USA
Received 2 May 2006; published 11 September 2006
Using molecular dynamics simulations, we study the Jagla model of a liquid which consists of particles
interacting via a spherically symmetric two-scale potential with both repulsive and attractive ramps. This
potential displays anomalies similar to those found in liquid water, namely expansion upon cooling and an
increase of diffusivity upon compression, as well as a liquid-liquid LL phase transition in the region of the
phase diagram accessible to simulations. The LL coexistence line, unlike in tetrahedrally coordinated liquids,
has a positive slope, because of the Clapeyron relation, corresponding to the fact that the high density phase
HDL is more ordered than low density phase LDL . When we cool the system at constant pressure above the

  

Source: Angell, C. Austen - Department of Chemistry and Biochemistry, Arizona State University
Stanley, H. Eugene - Department of Physics, Boston University

 

Collections: Chemistry; Computer Technologies and Information Sciences; Materials Science; Physics