How a solid can be turned into a gas without passing through a first-order phase transformation

Sheh Yi Sheu, Chung Yuan Mou, Ronald Lovett

研究成果: 雜誌貢獻文章同行評審

16 引文 斯高帕斯(Scopus)

摘要

Recent calculations of the absolute free energy of a solid using molecular dynamics and Monte Carlo simulated data employ a ''thermodynamic'' path which is numerically indistinguishable from a path which connects a solid and an ideal gas. No first-order phase transition is observed on this path. We present an interpretation of this type of path, we identify a particular path along which the numerical uncertainty in calculating the free energy is minimized, and we report numerical studies on a Lennard-Jones system which support the surprising proposition that there is such a singularity-free path.

原文英語
頁(從 - 到)R3795-R3798
期刊Physical Review E
51
發行號5
DOIs
出版狀態已發佈 - 1995
對外發佈

ASJC Scopus subject areas

  • 統計與非線性物理學
  • 統計與概率
  • 凝聚態物理學

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