Nonequilibrium Molecular Dynamics Study of Heat Conduction in Ionic Systems§

1996 ◽  
Vol 100 (5) ◽  
pp. 1879-1888 ◽  
Author(s):  
Fernando Bresme ◽  
Bjørn Hafskjold ◽  
Inge Wold
Keyword(s):  
Molecular Dynamics ◽  
Heat Conduction ◽  
Nonequilibrium Molecular Dynamics ◽  
Ionic Systems

Investigation on the Heat Conduction in Si/3C-SiC/Graphene Film

2014 ◽  
Vol 487 ◽  
pp. 63-66
Author(s):  
Zan Wang ◽  
Hua Wei Guan
Keyword(s):  
Molecular Dynamics ◽  
Heat Conduction ◽  
Composite Films ◽  
Graphene Film ◽  
Buffer Layers ◽  
Nonequilibrium Molecular Dynamics ◽  
Interfacial Thermal Resistance ◽  
Si Substrate ◽  
Maximum Value ◽  
Dynamics Method

Based on the nonequilibrium Molecular Dynamics method, interfacial thermal resistances of Si/3C-SiC/grphene composite films are investigated. The dependencies of interfacial thermal resistances of Si/3C-SiC and 3C-SiC/grphene on temperatures and the thickness of buffer layers are simulated separately. The results indicate that the interfacial thermal resistances of Si/3C-SiC and 3C-SiC/grphene increase with the increase of temperatures at the range of 100~700K, and converge to 3.4×10-9 Km2/W. In the Si/3C-SiC/grphene composite film, 3C-SiC connects Si substrate with grphene sheets. The results show the relationships between interfacial thermal resistances and the thickness are not prominent, and the maximum value of interfacial thermal resistance locates at 24×3.35 Å.

scholarly journals Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids

2019 ◽  
Vol 151 (23) ◽  
pp. 234105 ◽  
Author(s):  
Zhen Li ◽  
Shiyun Xiong ◽  
Charles Sievers ◽  
Yue Hu ◽  
Zheyong Fan ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Heat Conduction ◽  
Molecular Dynamics Simulations ◽  
Nonequilibrium Molecular Dynamics ◽  
Dynamics Simulations

Heat conduction in a rotating disk via nonequilibrium molecular dynamics

1981 ◽  
Vol 24 (4) ◽  
pp. 2109-2115 ◽  
Author(s):  
W. G. Hoover ◽  
B. Moran ◽  
R. M. More ◽  
A. J. C. Ladd
Keyword(s):  
Molecular Dynamics ◽  
Heat Conduction ◽  
Rotating Disk ◽  
Nonequilibrium Molecular Dynamics
Sign in / Sign up

Export Citation Format

Share Document