Nonequilibrium molecular dynamics method based on coarse-graining formalism: Application to a nonuniform temperature field system

2021 ◽  
Vol 104 (6) ◽  
Author(s):  
Masayuki Uranagase ◽  
Shuji Ogata
Keyword(s):  
Molecular Dynamics ◽  
Temperature Field ◽  
Coarse Graining ◽  
Molecular Dynamics Method ◽  
Nonequilibrium Molecular Dynamics ◽  
Nonuniform Temperature ◽  
Field System ◽  
Nonuniform Temperature Field ◽  
Dynamics Method

Molecular Dynamics Simulation of Thermal Conductivity of 3C-SiC Nanowire

2013 ◽  
Vol 800 ◽  
pp. 210-212
Author(s):  
Zan Wang ◽  
Hong Chao Cao ◽  
Hua Wei Guan
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Important Application ◽  
Molecular Dynamics Method ◽  
Dynamics Simulation ◽  
Nonequilibrium Molecular Dynamics ◽  
Third Generation ◽  
Different Temperatures ◽  
Dynamics Method

SiC is one of the most important third-generation semiconductors, which has important application value. Based on the nonequilibrium Molecular Dynamics method, a model of 3C-SiC nanowire is proposed, and thermal transport under different temperatures is investigated. The results show about 200K the thermal conductivity of 3C-SiC nanowire approaches to the peak 7.84W/m.K.

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