能量学
离解(化学)
化学
Atom(片上系统)
计算化学
化学物理
理论(学习稳定性)
结晶学
系列(地层学)
物理化学
热力学
物理
计算机科学
嵌入式系统
古生物学
机器学习
生物
作者
Valeri G. Grigoryan,Michael Springborg
标识
DOI:10.1016/s0009-2614(03)00820-0
摘要
We present a method (the Aufbau/Abbau method) for optimizing the structure of a whole series of clusters without making any assumptions on the structure. Subsequently, the method is combined with the embedded-atom method in determining the structure of the two energetically lowest isomers of Ni_N clusters with N up to 150. Finally, various analytical descriptors are introduced that are used in studying the overall shape of the clusters, their structure and stability, and possible growth and dissociation processes.
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