Suppr超能文献

原子团簇碰撞过程的分子动力学模拟

Molecular dynamic simulations of atom-cluster collision processes.

作者信息

Napari Ismo, Vehkamäki Hanna, Laasonen Kari

机构信息

Department of Physical Sciences, University of Helsinki, P.O. Box 64, FIN-00014 Helsinki, Finland.

出版信息

J Chem Phys. 2004 Jan 1;120(1):165-9. doi: 10.1063/1.1628675.

Abstract

Monomer-cluster collisions of Lennard-Jones argon atoms have been studied using molecular dynamics simulation for target cluster sizes of 2, 3, 4, 5, 10, and 20 atoms. Capture probability of monomers by clusters and the lifetimes of the resulting clusters have been calculated as a function of impact parameter and the total energy of the target cluster. Cluster lifetime is further integrated over all impact parameters to obtain the average lifetime for each cluster size and energy. The average lifetime of the smallest aggregates is shown to be short compared to the collision time between monomers and clusters unless the vapor is highly supersaturated. The formation probability of a new cluster decreases steeply if a minimum lifetime is required for the cluster.

摘要

利用分子动力学模拟研究了 Lennard-Jones 氩原子的单体 - 团簇碰撞,目标团簇大小分别为 2、3、4、5、10 和 20 个原子。计算了单体被团簇捕获的概率以及所得团簇的寿命,它们是碰撞参数和目标团簇总能量的函数。团簇寿命进一步对所有碰撞参数进行积分,以获得每个团簇大小和能量下的平均寿命。结果表明,除非蒸汽处于高度过饱和状态,否则最小聚集体的平均寿命与单体和团簇之间的碰撞时间相比很短。如果要求团簇具有最小寿命,则新团簇的形成概率会急剧下降。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验