Thermal conductivity and temperature in solid argon by nonequilibrium molecular dynamics simulations

2005 ◽  
Vol 71 (14) ◽  
Author(s):  
P. Heino
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nonequilibrium Molecular Dynamics ◽  
Dynamics Simulations ◽  
Solid Argon

Thermal Conductivity of Solid Argon Nano-Films from Molecular Dynamics Simulations

2011 ◽  
Vol 221 ◽  
pp. 598-603 ◽  
Author(s):  
Lian Xiang Ma ◽  
Yuan Zheng Tang ◽  
Yan He
Keyword(s):  
Experimental Data ◽  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Film Thickness ◽  
Computer Program ◽  
Molecular Dynamics Simulations ◽  
Film Plane ◽  
Nonequilibrium Molecular Dynamics ◽  
Dynamics Simulations ◽  
Solid Argon

Thermal conductivity of L-J potential solid argon nano-films is calculated by equilibrium molecular dynamics (EMD) and nonequilibrium molecular dynamics (NEMD) simulations in the temperature range from 30K to 80K. A LAMMPS computer program has been modified based on classical molecular dynamics. It can be directly used to calculate the thermal conductivity of nano-films in the direction perpendicular to the film plane. Thermal conductivity calculated from this program is compared with experimental data. It is found that this computer program is competent to calculate the thermal conductivity of solid nano-films. It is also found that thermal conductivity is dependent on the simulation temperature and film thickness.

Thermal Conductivity of Amorphous and Crystalline SiO2 Nano-Films from Molecular Dynamics Simulations

2012 ◽  
Vol 501 ◽  
pp. 64-69 ◽  
Author(s):  
Yan He ◽  
Yuan Zheng Tang ◽  
Man Ding ◽  
Lian Xiang Ma
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Film Thickness ◽  
Molecular Dynamics Simulations ◽  
Grain Morphology ◽  
Nonequilibrium Molecular Dynamics ◽  
Calculated Temperature ◽  
Dynamics Simulations ◽  
Different Thickness ◽  
Good Agreement

Normal thermal conductivity of amorphous and crystalline SiO2nano-films is calculated by nonequilibrium molecular dynamics (NEMD) simulations in the temperature range from 100 to 700K and thicknesses from 2 to 6nm. The calculated temperature and thickness dependences of thermal conductivity are in good agreement with previous literatures. In the same thickness, higher thermal conductivity is obtained for crystalline SiO2nano-films. And more importantly, for amorphous SiO2nano-films, thickness can be any direction of x, y, z-axis without effect on the normal thermal conductivity, for crystalline SiO2nano-films, the different thickness directions obtain different thermal conductivity results. The different results of amorphous and crystalline SiO2nano-films simply show that film thickness and grain morphology will cause different effects on thermal conductivity.

Thermal conductivity of solid argon from molecular dynamics simulations

2004 ◽  
Vol 120 (8) ◽  
pp. 3765-3769 ◽  
Author(s):  
Konstantin V. Tretiakov ◽  
Sandro Scandolo
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Solid Argon

Thermal conductivity of silicon nanowire by nonequilibrium molecular dynamics simulations

2009 ◽  
Vol 105 (1) ◽  
pp. 014316 ◽  
Author(s):  
Shuai-chuang Wang ◽  
Xin-gang Liang ◽  
Xiang-hua Xu ◽  
Taku Ohara
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Silicon Nanowire ◽  
Nonequilibrium Molecular Dynamics ◽  
Dynamics Simulations
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