物理学报Issue(8)：1-6,6.DOI:10.7498/aps.62.083602
小尺寸铝纳米团簇的相变行为
Melting and freezing behavior of aluminum nanoclusters with small size∗
摘要
Abstract
The melting and freezing behavior of small-sized aluminum nanoclusters with radii ranging from 0.3 nm to 1.3 nm are investi-gated by molecular dynamics simulation. Based on the potential-temperature curves and heat capacity-temperature curves, the size dependences of melting point and freezing point are obtained and the results are analysed by the surface energy theory and small size effect. The results show a non-monotonic size-dependence of the melting temperature when the atom number of nanoclusters is less than 80. For those clusters with atom number more than 80, the melting and freezing point drop down monotonically with size decreasing. For some special cases, such as aluminum nanoclusters with atom number 27, the melting point is nearly 40 K higher than the bulk melting point. Besides, we observe a rather strong hysterisis of the liquid-solid transition, which states that it is much easier for a cluster to go from ordered to disordered than for the opposite process.关键词
纳米团簇/熔点/凝固点/分子动力学Key words
nanoclusters/melting point/freezing point/molecular dynamics引用本文复制引用
冯黛丽,冯妍卉†,张欣欣..小尺寸铝纳米团簇的相变行为[J].物理学报,2013,(8):1-6,6.基金项目
国家自然科学基金(批准号:51275424,10925212,11002112,11002113)和国家重点基础研究发展计划(批准号:2011CB610304)资助的课题.*Project supported by the National Natural Science Foundation of China (Grant Nos.51275424,10925212,11002112,11002113) and the National Basic Research Program of China (Grant No.2011CB610304) （批准号:51275424,10925212,11002112,11002113）
