scholarly journals A molecular dynamics simulation on the relationship between contact angle and solid-liquid interfacial thermal resistance

2013 ◽  
Vol 62 (11) ◽  
pp. 110204
Author(s):  
Ge Song ◽  
Chen Min
Keyword(s):  
Molecular Dynamics ◽  
Contact Angle ◽  
Molecular Dynamics Simulation ◽  
Thermal Resistance ◽  
Dynamics Simulation ◽  
Interfacial Thermal Resistance ◽  
Solid Liquid ◽  
The Relationship

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.

scholarly journals Molecular dynamics simulation of the solid-liquid interface migration in terbium

2018 ◽  
Vol 148 (21) ◽  
pp. 214705 ◽  
Author(s):  
M. I. Mendelev ◽  
F. Zhang ◽  
H. Song ◽  
Y. Sun ◽  
C. Z. Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Liquid Interface ◽  
Dynamics Simulation ◽  
Interface Migration ◽  
Solid Liquid Interface ◽  
Solid Liquid

Molecular Dynamics Simulation of Al2O3-SiC Interface

2011 ◽  
Vol 697-698 ◽  
pp. 192-197 ◽  
Author(s):  
Ting Ting Zhou ◽  
Chuan Zhen Huang ◽  
Han Lian Liu ◽  
Bin Zou ◽  
Hong Tao Zhu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Interfacial Energy ◽  
Diffusion Coefficients ◽  
Diffusion Mechanism ◽  
Dynamics Simulation ◽  
Interface Model ◽  
Relationship Of ◽  
The Relationship ◽  
And Diffusion

The interfacial energy and diffusion phenomenon of the Al2O3(012)-SiC (011) interface model are studied based on molecular dynamics. The interfacial energy increases firstly until reaches its maximum 0.459J/m2at the temperature of 1500K and then decreases. The relationship of diffusion coefficients for each kind of atoms is C>Si>O>Al. Diffusion coefficients of atoms increase at first and then decrease as the temperature goes up. This indicates the diffusion mechanism has been changed during the temperature rising process.

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