Thermal boundary resistance from mode energy relaxation times: Case study of argon-like crystals by molecular dynamics

2010 ◽  
Vol 108 (9) ◽  
pp. 094324 ◽  
Author(s):  
Ali Rajabpour ◽  
Sebastian Volz
Keyword(s):  
Molecular Dynamics ◽  
Relaxation Times ◽  
Energy Relaxation ◽  
Boundary Resistance ◽  
Thermal Boundary Resistance ◽  
Mode Energy

Molecular dynamics studies of thermal boundary resistance at carbon–metal interfaces

2013 ◽  
Vol 69 (1) ◽  
pp. 100-103 ◽  
Author(s):  
S. Shenogin ◽  
J. Gengler ◽  
A. Roy ◽  
A.A. Voevodin ◽  
C. Muratore
Keyword(s):  
Molecular Dynamics ◽  
Boundary Resistance ◽  
Thermal Boundary Resistance ◽  
Metal Interfaces

scholarly journals Thermal boundary resistance at Si/Ge interfaces by molecular dynamics simulation

AIP Advances ◽  
2015 ◽  
Vol 5 (4) ◽  
pp. 047102 ◽  
Author(s):  
Tianzhuo Zhan ◽  
Satoshi Minamoto ◽  
Yibin Xu ◽  
Yoshihisa Tanaka ◽  
Yutaka Kagawa
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Boundary Resistance ◽  
Dynamics Simulation ◽  
Thermal Boundary Resistance

Molecular Dynamics Study of Thermal Boundary Resistance: Evidence of Strong Inelastic Scattering Transport Channels

2004 ◽  
Author(s):  
Robert J. Stevens ◽  
Pamela M. Norris ◽  
Leonid V. Zhigilei
Keyword(s):  
Molecular Dynamics ◽  
Inelastic Scattering ◽  
Optical Phonon ◽  
Energy Transport ◽  
Lattice Mismatch ◽  
Md Simulations ◽  
Boundary Resistance ◽  
Thermal Boundary Resistance ◽  
Phonon Modes ◽  
Phonon Excitation

With the ever-decreasing size of microelectronics, growing applications of superlattices, and development of nanotechnology, thermal resistances of interfaces are becoming increasingly central to thermal management. Although there has been much success in understanding thermal boundary resistance (TBR) at low temperature, the current models for room temperature TBR are not adequate. This work examines TBR using molecular dynamics (MD) simulations of a simple interface between two FCC solids. The simulations reveal a temperature dependence of TBR, which is an indication of inelastic scattering in the classical limit. Introduction of point defects and lattice-mismatch-induced disorder in the interface region is found to assist the energy transport across the interface. This is believed to be due to the added sites for inelastic scattering and optical phonon excitation. A simple MD experiment was conducted by directing a phonon wave packet towards the interface. Inelastic scattering, which increases transport across the interface, was directly observed. Another mechanism of energy transport through the interface involving localization of optical phonon modes at the interface was also revealed in the simulations.

507 A Molecular Dynamics study on Thermal Boundary Resistance at SAM-solvent Interfaces

2008 ◽  
Vol 2008.8 (0) ◽  
pp. 213-214
Author(s):  
Gota Kikugawa ◽  
Taku Ohara ◽  
Toru Kawaguchi ◽  
Eiichi Torigoe ◽  
Yasumasa Hagiwara ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Boundary Resistance ◽  
Thermal Boundary Resistance

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.

Molecular Dynamics of Thermal Boundary Resistance Between a Carbon Nanotube and Surrounding Fluids

2011 ◽  
Author(s):  
Jin Hyeok Cha ◽  
Shohei Chiashi ◽  
Junichiro Shiomi ◽  
Shigeo Maruyama
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Local Density ◽  
Md Simulations ◽  
Boundary Resistance ◽  
Thermal Boundary Resistance ◽  
Single Walled Carbon Nanotube ◽  
Thermal Boundary Conductance ◽  
Parametric Studies ◽  
Potential Parameters

Using classical molecular dynamics (MD) simulations, we studied the thermal boundary resistance (TBR)—the inverse of thermal boundary conductance (TBC)—between a single-walled carbon nanotube (SWNT) and surrounding Lennard-Jones (LJ) fluids. With the aim of identifying a general model that explains the TBC for various surrounding materials, the TBC was calculated for three different surrounding LJ fluids, hydrogen, nitrogen, and argon, in a supercritical phase. The results show that the TBC between an SWNT and a surrounding LJ fluid strongly depends on both the local density of the molecules in the first adsorption layer outside SWNT and the intermaterial potential parameters. We also note that the influence of mass on the TBC has a far more significant effect than other intermaterial potential parameters. Furthermore, through our parametric studies we obtained a phenomenological description of the TBC between an SWNT and a surrounding LJ fluid.

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