Million atom molecular dynamics simulations of materials on parallel computers

被引:11
|
作者
Vashishta, P [1 ]
Kalia, RK [1 ]
Li, W [1 ]
Nakano, A [1 ]
Omeltchenko, A [1 ]
Tsuruta, K [1 ]
Wang, JH [1 ]
Ebbsjo, I [1 ]
机构
[1] UPPSALA UNIV,STUDSV NEUTRON RES LAB,S-61182 NYKOPING,SWEDEN
基金
美国国家科学基金会;
关键词
D O I
10.1016/S1359-0286(96)80113-6
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Recent advances in computing technology - parallel computer architectures, portable software and development of robust O(N) algorithms - have revolutionized the field of computer simulation. Using the space-time multiresolution molecular dynamics algorithms it is possible to carry out multimillion atom simulations of materials in different ranges of density, temperature and uniaxial strain.
引用
收藏
页码:853 / 863
页数:11
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