Quantum disordering versus melting in Lennard-Jones clusters

被引：13
|
作者：
Deckman, Jason [1 ]
Mandelshtam, Vladimir A. [1 ]
机构：
[1] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA
来源：
PHYSICAL REVIEW E | 2009年 / 79卷 / 02期
基金：
美国国家科学基金会;
关键词：
ground states; Lennard-Jones potential; melting; phase diagrams; MONTE-CARLO;
D O I：
10.1103/PhysRevE.79.022101
中图分类号：
O35 [流体力学]; O53 [等离子体物理学];
学科分类号：
070204 ; 080103 ; 080704 ;
摘要：
The ground states of Lennard-Jones clusters for sizes up to n=147 are estimated as a function of the de Boer quantum delocalization length Lambda, and the n-Lambda "phase diagram" is constructed. The increase in Lambda favors more disordered and diffuse structures over more symmetric and compact ones, eventually making the liquidlike motif most energetically favorable. The analogy between the quantum- and thermally-induced structural transitions is explored.
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