Molecular Dynamics Modeling of the Processes of Surface Metallization

被引：0
|
作者：
Utkin, Andrey V. [1 ]
Golovnev, Igor F. [1 ]
Fomin, Vasiliy M. [1 ]
机构：
[1] Russian Acad Sci, Inst Theoret & Appl Mech, 4-1 Inst Skaya Str, Novosibirsk 630090, Russia
来源：
E-JOURNAL OF SURFACE SCIENCE AND NANOTECHNOLOGY | 2010年 / 8卷
关键词：
Computer simulations; Molecular dynamics; Nanoclusters; Parallel molecular dynamics algorithms;
D O I：
10.1380/ejssnt.2010.331
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
In the present study molecular dynamics simulations were performed for collisions of nanoclusters with each other and with the substrate for determining the mechanism of formation of bound states depending on the cluster size and impact velocity. A highly efficient parallel code for three-dimensional molecular dynamics was developed. This code is based on a spatial domain decomposition algorithm with one-dimensional parallelization and involves an additional subdomain load balancing algorithm that can save a considerable amount of computational time.
引用
收藏
页码：331 / 335
页数：5
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