The Structure and Stability of Atomic Liquids: From Clusters to Bulk
理论(学习稳定性)
化学物理
材料科学
原子物理学
化学
物理
计算机科学
机器学习
作者
Jonathan P. K. Doye,David J. Wales
出处
期刊:Science [American Association for the Advancement of Science (AAAS)] 日期:1996-01-26卷期号:271 (5248): 484-487被引量:143
标识
DOI:10.1126/science.271.5248.484
摘要
Insights into the structure of simple liquids are presented from analysis of the effect of the range of interatomic forces on the multidimensional potential energy surfaces of bulk material and clusters. An understanding at the microscopic level is provided of how the liquid phase is destabilized in systems with very short-range interparticle forces. For small clusters bound by long-range interatomic forces, the lowest energy minimum has an amorphous structure typical of the liquidlike state. This suggests an explanation for the transition from electronic to geometric magic numbers (structures of special stability) observed in the mass spectra of sodium clusters.