Surface segregation in bimetallic clusters: Predictions using a molecular dynamics/Monte Carlo corrected effective medium theory

1993 ◽  
Vol 290 (1-2) ◽  
pp. 195-205 ◽  
Author(s):  
Liqiu Yang ◽  
Todd J. Raeker ◽  
Andrew E. DePristo
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Surface Segregation ◽  
Effective Medium Theory ◽  
Effective Medium ◽  
Bimetallic Clusters ◽  
Medium Theory

scholarly journals Atomic Diffusion near Al Grain Boundary. (Molecular Dynamics Analysis Based on Effective-Medium Theory).

1997 ◽  
Vol 40 (3) ◽  
pp. 203-210 ◽  
Author(s):  
Hiroshi KITAGAWA ◽  
Akihiro NAKATANI ◽  
Shigenobu OGATA ◽  
Ken-ichi SAITOH ◽  
Yukihiro MAEGAWA
Keyword(s):  
Molecular Dynamics ◽  
Grain Boundary ◽  
Effective Medium Theory ◽  
Effective Medium ◽  
Atomic Diffusion ◽  
Dynamics Analysis ◽  
Medium Theory

Confronting the complexity of CNT materials

Soft Matter ◽  
2015 ◽  
Vol 11 (24) ◽  
pp. 4888-4898 ◽  
Author(s):  
Fernando Vargas-Lara ◽  
Jack F. Douglas
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Computational Methods ◽  
Path Integral ◽  
Effective Medium Theory ◽  
Effective Medium ◽  
Medium Theory ◽  
Commercial Carbon ◽  
Realistic Description ◽  
Conductive Properties

The morphology of commercial carbon nanotube (CNT) materials is normally quite complex and we combine molecular dynamics and path-integral computational methods, along with effective medium theory, to model the conductive properties of CNT composites based on a more realistic description of this class of materials. Image shows a simulated “gel” composed of interpenetrating CNT domains.

scholarly journals Atomic Diffusion near Al-Grain Boundary. A Molecular Dynamics Analysis Based on Effective-Medium Theory.

1996 ◽  
Vol 62 (602) ◽  
pp. 2358-2363
Author(s):  
Hiroshi KITAGAWA ◽  
Akihiro NAKATANI ◽  
Shigenobu OGATA ◽  
Ken-ichi SAITOH ◽  
Yukihiro MAEGAWA
Keyword(s):  
Molecular Dynamics ◽  
Grain Boundary ◽  
Effective Medium Theory ◽  
Effective Medium ◽  
Atomic Diffusion ◽  
Dynamics Analysis ◽  
Medium Theory
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