Load-balancing procedure for distributed short-range molecular dynamics

1994 ◽  
pp. 100-109 ◽  
Author(s):  
K. Boryczko ◽  
J. Kitowski ◽  
J. Mościński
Keyword(s):  
Molecular Dynamics ◽  
Load Balancing ◽  
Short Range

Fracture of Nanophase Ceramics: A Molecular-Dynamics Study

1996 ◽  
Vol 457 ◽  
Author(s):  
Aiichiro Nakano ◽  
Rajiv K. Kalia ◽  
Andrey Omeltchenko ◽  
Kenji Tsuruta ◽  
Priya Vashishta
Keyword(s):  
Molecular Dynamics ◽  
Silicon Nitride ◽  
Load Balancing ◽  
Molecular Dynamics Simulations ◽  
Dynamic Fracture ◽  
Parallel Computers ◽  
Fracture Surfaces ◽  
Affine Structures ◽  
Dynamics Simulations ◽  
Multiscale Algorithms

ABSTRACTNew multiscale algorithms and a load-balancing scheme are combined for molecular-dynamics simulations of nanocluster-assembled ceramics on parallel computers. Million-atom simulations of the dynamic fracture in nanophase silicon nitride reveal anisotropie self-affine structures and crossover phenomena associated with fracture surfaces.

Short range orders in molten Al: An ab initio molecular dynamics study

2014 ◽  
Vol 93 ◽  
pp. 97-103 ◽  
Author(s):  
Jianbo Ma ◽  
Yongbing Dai ◽  
Wei Zhou ◽  
Jiao Zhang ◽  
Jun Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Short Range ◽  
Ab Initio Molecular Dynamics
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