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 |
| 卷 | 51 |
| 發行號 | 5 |
| DOIs | |
| 出版狀態 | 已發佈 - 1995 |
| 對外發佈 | 是 |
ASJC Scopus subject areas
- 統計與非線性物理學
- 統計與概率
- 凝聚態物理學
指紋
深入研究「How a solid can be turned into a gas without passing through a first-order phase transformation」主題。共同形成了獨特的指紋。引用此
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