Molecular dynamics simulation of interfacial thermal conductance between silicon and amorphous polyethylene

2007 ◽  
Vol 91 (24) ◽  
pp. 241910 ◽  
Author(s):  
Ming Hu ◽  
Sergei Shenogin ◽  
Pawel Keblinski
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Thermal Conductance ◽  
Dynamics Simulation ◽  
Interfacial Thermal Conductance

Atomic structure causing an obvious difference in thermal conductance at the Pd–H2O interface: a molecular dynamics simulation

Nanoscale ◽  
2020 ◽  
Vol 12 (34) ◽  
pp. 17870-17879
Author(s):  
Shanchen Li ◽  
Yang Chen ◽  
Junhua Zhao ◽  
Chunlei Wang ◽  
Ning Wei
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Atomic Structure ◽  
Thermal Conductance ◽  
Water Structure ◽  
Dynamics Simulation ◽  
Thermal Transfer ◽  
Interfacial Thermal Conductance ◽  
Ordered Water

The thermal transfer across Pd-H2O interface is dependent on water structure, where the partial ordered water structure rises the interfacial thermal conductance.

Thermal conductance bottleneck of a three dimensional graphene–CNT hybrid structure: a molecular dynamics simulation

2020 ◽  
Vol 22 (1) ◽  
pp. 337-343 ◽  
Author(s):  
Zepei Yu ◽  
Yanhui Feng ◽  
Daili Feng ◽  
Xinxin Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Thermal Transport ◽  
Three Dimensional ◽  
Thermal Conductance ◽  
Hybrid Structure ◽  
Dynamics Simulation ◽  
Atomistic Structure

We observed the atomistic structure of the junction to study mechanism governing the thermal transport across GCNT.

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.

scholarly journals Thermal conductance across grain boundaries in diamond from molecular dynamics simulation

2007 ◽  
Vol 102 (6) ◽  
pp. 063503 ◽  
Author(s):  
Taku Watanabe ◽  
Boris Ni ◽  
Simon R. Phillpot ◽  
Patrick K. Schelling ◽  
Pawel Keblinski
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Grain Boundaries ◽  
Thermal Conductance ◽  
Dynamics Simulation
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