残余多粒子熵在接近凝固点时通常不会改变符号。
Residual multiparticle entropy does not generally change sign near freezing.
作者信息
Krekelberg William P, Shen Vincent K, Errington Jeffrey R, Truskett Thomas M
机构信息
Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712-0231, USA.
出版信息
J Chem Phys. 2008 Apr 28;128(16):161101. doi: 10.1063/1.2916697.
The residual multiparticle entropy (RMPE) of two- and three-dimensional fluids changes sign near the freezing line, providing a quasiuniversal "one-phase" rule for the location of the liquid-solid transition. We present new simulation results for d-dimensional hard-sphere fluids (d=1-5) which show, however, that this freezing criterion fails in other spatial dimensions. The results also call into question the idea that a change in sign of the RMPE implies the emergence of a new kind of local structural order in the fluid.
二维和三维流体的剩余多粒子熵（RMPE）在凝固线附近改变符号，为液-固转变的位置提供了一个准通用的“单相”规则。然而，我们给出了d维硬球流体（d = 1 - 5）的新模拟结果，结果表明该凝固判据在其他空间维度上并不成立。这些结果还对RMPE符号的改变意味着流体中出现一种新型局部结构序的观点提出了质疑。
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