Thermal expansivity of two-dimensional ice

Yuji Koyama, Hideki Tanaka

Research output: Contribution to journalArticle

Abstract

The free energy components of crystalline forms of two-dimensional ice and a Lennard-Jones solid are calculated over a wide range of temperatures on the basis of the quasi-harmonic theory to examine whether the two-dimensional potential model is adequate to describe anomalous properties of low pressure ice. This enables us to evaluate a thermal expansivity from only the intermolecular interaction potential. It is found that the thermal expansivity of two-dimensional ice at low temperature is negative due to the negative mode Grüneisen parameters of low frequency modes while that of the Lennard-Jones solid is always positive.

Original languageEnglish
Pages (from-to)619-624
Number of pages6
JournalChemical Physics Letters
Volume341
Issue number5-6
DOIs
Publication statusPublished - Jun 29 2001

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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