Evaluation of momentum conservation influence in non-equilibrium molecular dynamics methods to compute thermal conductivity

2006 ◽  
Vol 373 (2) ◽  
pp. 291-296 ◽  
Author(s):  
ZhengXing Huang ◽  
ZhenAn Tang
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Momentum Conservation ◽  
Molecular Dynamics Methods ◽  
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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