scholarly journals Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics: A systematic study of several common force fields

2014 ◽  
Vol 141 (13) ◽  
pp. 134504 ◽  
Author(s):  
Thuat T. Trinh ◽  
Thijs J. H. Vlugt ◽  
Signe Kjelstrup
Keyword(s):  
Carbon Dioxide ◽  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Systematic Study ◽  
Force Fields ◽  
Non Equilibrium Molecular Dynamics ◽  
Non Equilibrium

Thermal conductivity of silicon using reverse non-equilibrium molecular dynamics

2018 ◽  
Vol 123 (20) ◽  
pp. 205104 ◽  
Author(s):  
Mohamed S. El-Genk ◽  
Khaled Talaat ◽  
Benjamin J. Cowen
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Non Equilibrium Molecular Dynamics ◽  
Non Equilibrium

Thermal conductivity and interfacial Thermal Resistance Behavior for the Polyaniline (C3N)– boron carbide (BC3) Heterostructure

2021 ◽  
Author(s):  
Arian Mayelifartash ◽  
Mohammad Ali Abdol ◽  
Sadegh Sadeghzadeh
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Thermal Resistance ◽  
Boron Carbide ◽  
Molecular Dynamics Simulations ◽  
Thermal Conductance ◽  
Interfacial Thermal Resistance ◽  
Non Equilibrium Molecular Dynamics ◽  
Dynamics Simulations ◽  
Non Equilibrium

In this paper, by employing non-equilibrium molecular dynamics simulations (NEMD), the thermal conductance of hybrid formed by polyaniline (C3N) and boron carbide (BC3) in both armchair and zigzag configurations has...

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