Evaluating the Relationship between Phonon and Thermal Properties of Group IV Alloys Using Molecular Dynamics Simulation

2018 ◽  
Vol 86 (7) ◽  
pp. 337-345
Author(s):  
Motohiro Tomita ◽  
Masataka Ogasawara ◽  
Takuya Terada ◽  
Takanobu Watanabe
Keyword(s):  
Molecular Dynamics ◽  
Thermal Properties ◽  
Molecular Dynamics Simulation ◽  
Group Iv ◽  
Dynamics Simulation ◽  
The Relationship

Thermal properties of pillared-graphene nanostructures

2015 ◽  
Vol 1727 ◽  
Author(s):  
M. Rifu ◽  
K. Shintani
Keyword(s):  
Thermal Conductivity ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Thermal Properties ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Nonequilibrium Molecular Dynamics ◽  
Nonequilibrium Molecular Dynamics Simulation ◽  
Thermal Conductivities ◽  
Graphene Nanostructures

ABSTRACTThe thermal conductivities of pillared-graphene nanostructures (PGNSs) are obtained using nonequilibrium molecular-dynamics simulation. It is revealed their thermal conductivities are much smaller than the thermal conductivities of carbon nanotubes (CNTs). This fact is explained by examining the density of states (DOS) of the local phonons of PGNSs. It is also found the thermal conductivity of a PGNS linearly decreases with the increase of the inter-pillar distance.

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.

Toward an Atomistically Informed Fuel Performance Code: Thermal Properties Using FRAPCON and Molecular Dynamics Simulation

2009 ◽  
Vol 165 (3) ◽  
pp. 308-312 ◽  
Author(s):  
Daniel A. Vega ◽  
Taku Watanabe ◽  
Susan B. Sinnott ◽  
Simon R. Phillpot ◽  
James S. Tulenko
Keyword(s):  
Molecular Dynamics ◽  
Thermal Properties ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Fuel Performance
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