Molecular-dynamics simulations of the scattering of neutrons from solid argon

1992 ◽  
Vol 45 (5) ◽  
pp. 2493-2494 ◽  
Author(s):  
E. Roger Cowley ◽  
Mark Nordberg
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
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.

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