Tutorial: Determination of thermal boundary resistance by molecular dynamics simulations

2018 ◽  
Vol 123 (19) ◽  
pp. 191101 ◽  
Author(s):  
Zhi Liang ◽  
Ming Hu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Boundary Resistance ◽  
Thermal Boundary Resistance ◽  
Dynamics Simulations

scholarly journals TRASPORTO DI CALORE ATTRAVERSO UN’INTERFACCIA: UN PROBLEMA CLASSICO RIVISITATO IN CHIAVE MODERNA

2020 ◽  
Author(s):  
Luciano Colombo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nonequilibrium Thermodynamics ◽  
Theoretical Framework ◽  
Boundary Resistance ◽  
Interface Temperature ◽  
Thermal Boundary Resistance ◽  
Solid Materials ◽  
Interface Property ◽  
Dynamics Simulations

I describe a set of computational experiments using molecular dynamics simulations, showing that the interface between two solid materials can be described as an autonomous thermodynamical system. By making use of the Gibbs description for such an interface, I discuss a robust nonequilibrium thermodynamics theoretical framework providing information about its corresponding thermal boundary resistance. In particular, I show that the termal resistance of a junction between two pure solid materials can be regarded as an interface property, depending solely on the interface temperature.

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