Effect of size polydispersity on liquid-glass crossover, liquid-crystal transition, and gas-liquid transition of Lennard-Jones fluids

Yayoi Terada, Thomas Keyes, Jaegil Kim, Michio Tokuyama

Research output: Chapter in Book/Report/Conference proceedingConference contribution

4 Citations (Scopus)

Abstract

Generalized replica exchange method (gREM) computer simulations are performed on model glass formers, polydisperse Lennard-Jones (LJ) systems at constant pressure, and discuss the effect of size polydispersity on the gas-liquid and liquid-crystal transitions, and on the liquid-glass crossover. At high temperatures in the gas phase, there are no polydispersity effects on the observables. With decreasing temperature, the enthalpy, internal energy and volume decrease with increasing polydispersity, and the gas-liquid transition point shifts to higher temperature. At low temperature, sufficient polydispersity causes the liquid-crystal transition to disappear; the threshold for this phenomenon lies in a polydispersity range of s = 0.15-0.20. Enthalpy and internal energy show the similar behavior over the whole temperature region with changing polydispersity. On the other hand, volume shows a different polydispersity dependence in the liquid, crystal, and glass states. The pressure dependence of polydispersity effects are also discussed, and a preliminary gas-liquid-crystal-glass phase diagram of polydisperse LJ systems is obtained.

Original languageEnglish
Title of host publication4th International Symposium on Slow Dynamics in Complex Systems
Subtitle of host publicationKeep Going Tohoku
Pages776-783
Number of pages8
DOIs
Publication statusPublished - 2013 Mar 12
Event4th International Symposium on Slow Dynamics in Complex Systems: Keep Going Tohoku - Sendai, Japan
Duration: 2012 Dec 22012 Dec 7

Publication series

NameAIP Conference Proceedings
Volume1518
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

Other4th International Symposium on Slow Dynamics in Complex Systems: Keep Going Tohoku
CountryJapan
CitySendai
Period12/12/212/12/7

Keywords

  • Gas-Liquid Transition
  • Glass Transition
  • Lennard-Jones Fluids
  • Liquid-Crystal Transition

ASJC Scopus subject areas

  • Ecology, Evolution, Behavior and Systematics
  • Ecology
  • Plant Science
  • Physics and Astronomy(all)
  • Nature and Landscape Conservation

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  • Cite this

    Terada, Y., Keyes, T., Kim, J., & Tokuyama, M. (2013). Effect of size polydispersity on liquid-glass crossover, liquid-crystal transition, and gas-liquid transition of Lennard-Jones fluids. In 4th International Symposium on Slow Dynamics in Complex Systems: Keep Going Tohoku (pp. 776-783). (AIP Conference Proceedings; Vol. 1518). https://doi.org/10.1063/1.4794678