Estimating thermal properties of plumbene by multiscale modeling using molecular dynamics simulation technique

2021 ◽  
pp. 1-11
Author(s):  
Dhiman Kumar Das ◽  
Ashis Mallick ◽  
Sachin Kumar Singh
Keyword(s):  
Molecular Dynamics ◽  
Thermal Properties ◽  
Molecular Dynamics Simulation ◽  
Multiscale Modeling ◽  
Simulation Technique ◽  
Dynamics Simulation

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.

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

scholarly journals Molecular Dynamics Simulation Technique for the Investigation of High-performance Phenolic Resins

Seikei-Kakou ◽  
2019 ◽  
Vol 31 (6) ◽  
pp. 230-233
Author(s):  
Atsushi Izumi ◽  
Yasuyuki Shudo ◽  
Katsumi Hagita ◽  
Mitsuhiro Shibayama
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
High Performance ◽  
Simulation Technique ◽  
Dynamics Simulation ◽  
Phenolic Resins
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