Predicting the Thermal Boundary Resistance of Isolated and Closely-Spaced Si/Si1−XGeX Interfaces With Molecular Dynamics Simulations

2008 ◽  
Author(s):  
E. S. Landry ◽  
T. Matsuura ◽  
A. J. H. McGaughey
Keyword(s):  
Phonon Scattering ◽  
Temperature Drop ◽  
Nanocomposite Materials ◽  
Boundary Resistance ◽  
Thermal Boundary Resistance ◽  
Semiconductor Interfaces ◽  
Thermoelectric Energy ◽  
Interface Scattering ◽  
Computer Chips ◽  
Dynamics Simulations

Phonon scattering at an interface between two materials results in a thermal boundary resistance R, given by [1] R=ΔTq,(1) where ΔT and q are the temperature drop and heat flux across the interface. Predicting the thermal boundary resistance of semiconductor/semiconductor interfaces is important in devices where phonon interface scattering is a significant contributor to the overall thermal resistance (e.g., computer chips with high component density). Such predictions will also lead to improvements in the design of nanocomposite materials (e.g., superlattices) with low thermal conductivity, desirable in thermoelectric energy conversion applications [2].

Thermal Resistance of Silicon/Germanium Interfaces From Lattice Dynamics Calculations

2009 ◽  
Author(s):  
E. S. Landry ◽  
A. J. H. McGaughey
Keyword(s):  
Thermal Conductivity ◽  
Thermal Resistance ◽  
Energy Conversion ◽  
Silicon Germanium ◽  
Lattice Dynamics ◽  
Phonon Scattering ◽  
Semiconductor Interfaces ◽  
Thermoelectric Energy ◽  
Interface Scattering ◽  
Computer Chips

Phonon scattering at the interface between two materials results in a thermal resistance, R [1]. An ability to accurately predict the thermal resistance of semiconductor interfaces is important in devices where phonon interface scattering is a significant contributor to the overall thermal resistance (e.g., computer chips with high component density). This ability will also lead to improvements in the design of semiconductor superlattices with low thermal conductivity, desirable in thermoelectric energy conversion applications [2].

A Modified Thermal Boundary Resistance Model for FCC Structures

2009 ◽  
Author(s):  
Ruijie Zhao ◽  
Yunfei Chen ◽  
Kedong Bi ◽  
Meihui Lin ◽  
Zan Wang
Keyword(s):  
Phonon Scattering ◽  
Phonon Dispersion ◽  
Theoretical Calculations ◽  
Theoretical Models ◽  
Md Simulations ◽  
Boundary Resistance ◽  
Nonequilibrium Molecular Dynamics ◽  
Thermal Boundary Resistance ◽  
Inelastic Channel ◽  
The Right

A modified lattice-dynamical model is proposed to calculate the thermal boundary resistance at the interface between two fcc lattices. The nonequilibrium molecular dynamics (MD) simulation is employed to verify the theoretical calculations. In our physical model, solid crystal argon is set at the left side and the right side structure properties are tunable by setting the atomic mass and the interactive energy strength among atoms with different values. In the case of mass mismatch, the predictions of the lattice-dynamical (LD) model agree well at low temperature while the calculations of the diffuse mismatch model (DMM) based on the detailed phonon dispersion agree well at high temperature with the MD simulations. The modified LD model, considering a partially specular and partially diffuse phonon scattering, can explain the simulations reasonably in the whole temperature rage. The good agreement between the theoretical calculations and the simulations may be attributed to that phonon scattering mechanisms are dominated by elastic scattering at the perfect interfaces. In the case of interactive energy strength mismatch, the simulations are under the predictions of both the theoretical models, which may be attributed to the fact that this mismatch can bring about an outstanding contribution to opening up an inelastic channel for heat transfer at the interfaces.

scholarly journals The thermal boundary resistance at semiconductor interfaces: a critical appraisal of the Onsager vs. Kapitza formalisms

2018 ◽  
Vol 20 (35) ◽  
pp. 22623-22628
Author(s):  
Riccardo Rurali ◽  
Xavier Cartoixà ◽  
Dick Bedeaux ◽  
Signe Kjelstrup ◽  
Luciano Colombo
Keyword(s):  
Critical Appraisal ◽  
Boundary Resistance ◽  
Thermal Boundary Resistance ◽  
Semiconductor Interfaces ◽  
Definition Of

We critically readdress the definition of thermal boundary resistance at an interface between two semiconductors.

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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