Melting of Single-Walled Silicon Carbide Nanotubes: Density Functional Molecular Dynamics Simulation

2010 ◽  
Vol 27 (10) ◽  
pp. 106101 ◽  
Author(s):  
Wang Sheng-Jie ◽  
Zhang Chun-Lai ◽  
Wang Zhi-Guo
Keyword(s):  
Molecular Dynamics ◽  
Silicon Carbide ◽  
Molecular Dynamics Simulation ◽  
Density Functional ◽  
Dynamics Simulation ◽  
Silicon Carbide Nanotubes

A molecular dynamics study of the effect of the substrate on the thermodynamic properties of bound Pt–Cu bimetallic nanoclusters

2016 ◽  
Vol 18 (31) ◽  
pp. 21730-21736 ◽  
Author(s):  
Hamed Akbarzadeh ◽  
Amir Nasser Shamkhali ◽  
Mohsen Abbaspour ◽  
Sirous Salemi ◽  
Zeinab Attaran
Keyword(s):  
Molecular Dynamics ◽  
Silicon Carbide ◽  
Molecular Dynamics Simulation ◽  
Boron Nitride ◽  
Thermodynamic Properties ◽  
Dynamics Simulation ◽  
Single Walled Carbon ◽  
Bimetallic Nanoclusters ◽  
Silicon Carbide Nanotubes

In this work confinement of the Pt708Cu707 bimetallic nanocluster in single-walled carbon, boron nitride, and silicon carbide nanotubes was investigated using molecular dynamics simulation.

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