Thermal resistance of crystal interface: Molecular dynamics simulation

2005 ◽  
Vol 34 (3) ◽  
pp. 135-146 ◽  
Author(s):  
Mitsuhiro Matsumoto ◽  
Hidenobu Wakabayashi ◽  
Toshiro Makino
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Thermal Resistance ◽  
Dynamics Simulation ◽  
Crystal Interface

Thermal transport in monocrystalline and polycrystalline lithium cobalt oxide

2019 ◽  
Vol 21 (23) ◽  
pp. 12192-12200 ◽  
Author(s):  
Jinlong He ◽  
Lin Zhang ◽  
Ling Liu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Thermal Resistance ◽  
Cobalt Oxide ◽  
Electrode Material ◽  
Thermal Transport ◽  
Dynamics Simulation ◽  
Lithium Cobalt Oxide ◽  
Resistance Model ◽  
Lithium Cobalt

A thermal resistance model is combined with molecular dynamics simulation to quantify the thermal conductivities of LiCoO2, an electrode material for batteries.

scholarly journals Manipulating thermal resistance at the solid–fluid interface through monolayer deposition

RSC Advances ◽  
2019 ◽  
Vol 9 (9) ◽  
pp. 4948-4956 ◽  
Author(s):  
Mohammad Rashedul Hasan ◽  
Truong Quoc Vo ◽  
BoHung Kim
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Thermal Resistance ◽  
Solid Substrate ◽  
Dynamics Simulation ◽  
Fluid Interface ◽  
Kapitza Length ◽  
Non Equilibrium Molecular Dynamics ◽  
Non Equilibrium

At the interface between monolayer coated solid substrate and fluid, the effect of interfacial mismatch on Kapitza length due to the monolayer particles has been extensively analyzed through a series of non-equilibrium molecular dynamics simulation.

Evaluation of Thermal Rectification at the Interface of Double-Layered Nanofilm by Molecular Dynamics Simulations

2008 ◽  
Author(s):  
Juekuan Yang ◽  
Zhenghua Liu ◽  
Yujuan Wang ◽  
Yunfei Chen
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Thermal Resistance ◽  
Dynamics Simulation ◽  
Interfacial Thermal Resistance ◽  
Thermal Rectification ◽  
Simulation Results ◽  
Dynamics Simulations ◽  
Increasing Temperature

The thermal rectification at the interface of double-layered nanofilm is investigated by molecular dynamics simulation. It is found that the interfacial thermal resistance is asymmetric, namely, it depends on the direction of heat flow across the interface. And at high temperature, the rectification of interfacial thermal resistance decreases with increasing temperature. The simulation results also demonstrated that the rectifying effects can not be interpreted only by temperature difference at interface.

Molecular Dynamics Simulation of the Thermal Resistance of Carbon Nanotube – Substrate Interfaces

2009 ◽  
Author(s):  
Daniel J. Rogers ◽  
Jianmin Qu ◽  
Matthew Yao
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Thermal Resistance ◽  
Copper Substrate ◽  
Harmonic Approximation ◽  
Thermal Conductance ◽  
Dynamics Simulation ◽  
Interfacial Thermal Resistance ◽  
Non Equilibrium Molecular Dynamics

The interfacial thermal resistance (ITR) between a carbon nanotube (CNT) and adjoining carbon, silicon, or copper substrate is investigated through non-equilibrium molecular dynamics simulation (NEMD). The theoretical phonon transmission also is calculated using a simplified form of the diffuse mismatch model (DMM) with direct simulation of the phonon density of states (DOS) under quasi-harmonic approximation. The results of theory and simulation are reported as a function of temperature in order to estimate the importance of anharmonicity and inelastic scattering. At 300K, the thermal conductance of CNT-substrate interfaces is ∼1500 W/mm2K for diamond carbon, ∼500 W/mm2K for silicon, and ∼250 W/mm2K for copper.

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