Molecular-dynamics study of the structural correlation of porous silica with use of a parallel computer

1994 ◽  
Vol 49 (14) ◽  
pp. 9441-9452 ◽  
Author(s):  
Aiichiro Nakano ◽  
Lingsong Bi ◽  
Rajiv K. Kalia ◽  
Priya Vashishta
Keyword(s):  
Molecular Dynamics ◽  
Porous Silica ◽  
Parallel Computer ◽  
Structural Correlation

Structural correlations in porous silica: Molecular dynamics simulation on a parallel computer

1993 ◽  
Vol 71 (1) ◽  
pp. 85-88 ◽  
Author(s):  
Aiichiro Nakano ◽  
Lingsong Bi ◽  
Rajiv K. Kalia ◽  
Priya Vashishta
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Porous Silica ◽  
Dynamics Simulation ◽  
Parallel Computer

A special purpose parallel computer for molecular dynamics: motivation, design, implementation, and application

1987 ◽  
Vol 91 (19) ◽  
pp. 4881-4890 ◽  
Author(s):  
D. J. Auerbach ◽  
W. Paul ◽  
A. F. Bakker ◽  
C. Lutz ◽  
W. E. Rudge ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Parallel Computer

VISUAL SIMULATION OF THE AMBER MOLECULAR DYNAMICS PROGRAM ON THE AP1000 HIGHLY PARALLEL COMPUTER

1993 ◽  
pp. 1177-1180
Author(s):  
Hiroyuki Sato ◽  
Yasumasa Tanaka ◽  
Hiroshi Iwama ◽  
Shigetsugu Kawakika ◽  
Minoru Saito ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Parallel Computer ◽  
Visual Simulation

Nano-Indentation Simulation Study Based on Parallel Computing

2012 ◽  
Vol 500 ◽  
pp. 696-701
Author(s):  
Ying Zhu ◽  
Sen Song ◽  
Ling Ling Xie ◽  
Shun He Qi ◽  
Qian Qian Liu
Keyword(s):  
Molecular Dynamics ◽  
Parallel Computing ◽  
Molecular Dynamics Simulation ◽  
Large Scale ◽  
Dynamics Simulation ◽  
Parallel Computer ◽  
Nano Indentation ◽  
Simulation Results ◽  
The Impact ◽  
Simulation Time

This method of parallel computing into nanoindentation molecular dynamics simulation (MDS), the author uses a nine-node parallel computer and takes the single crystal aluminum as the experimental example, to implement the large-scale process simulation of nanoindentation. Compared the simulation results with experimental results is to verify the reliability of the simulation. The method improves the computational efficiency and shortens the simulation time and the expansion of scale simulation can significantly reduce the impact of boundary conditions, effectively improve the accuracy of the molecular dynamics simulation of nanoindentation.

Cluster Molecular Dynamics on Massively Parallel Computers

1992 ◽  
Vol 278 ◽  
Author(s):  
K. M. Nelson ◽  
S. T. Smith ◽  
L. T. Wille
Keyword(s):  
Molecular Dynamics ◽  
Noble Gas ◽  
Equations Of Motion ◽  
Pair Potential ◽  
Parallel Computer ◽  
Massively Parallel ◽  
Massively Parallel Computers ◽  
Gas Clusters ◽  
Element Array ◽  
Small Clusters

AbstractWe report the results of computer simulations of phase transitions in noble-gas clusters. The calculations were performed on a MasPar MP-l massively parallel computer with 8,192 processing elements (PE's). We discuss the efficient implementation of molecular dynamics algorithms for small clusters on this type of architecture. The simulations are based on a classical Lennard-Jones pair potential and follow the temporal evolution of the system by numerically integrating Newton's equations of motion using the Gear algorithm. Because the number of particles is much smaller than the number of PE's, optimal partitioning of the processing element array is an essential and non-trivial task.

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