Thermal conductivity from approach-to-equilibrium molecular dynamics

2013 ◽  
Vol 114 (3) ◽  
pp. 033525 ◽  
Author(s):  
E. Lampin ◽  
P. L. Palla ◽  
P.-A. Francioso ◽  
F. Cleri
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Approach To Equilibrium

scholarly journals Length dependence of thermal conductivity by approach-to-equilibrium molecular dynamics

2016 ◽  
Vol 94 (5) ◽  
Author(s):  
Hayat Zaoui ◽  
Pier Luca Palla ◽  
Fabrizio Cleri ◽  
Evelyne Lampin
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Approach To Equilibrium ◽  
Length Dependence

scholarly journals Thermal conductivity of glassy GeTe4by first-principles molecular dynamics

2017 ◽  
Vol 19 (15) ◽  
pp. 9729-9732 ◽  
Author(s):  
Assil Bouzid ◽  
Hayat Zaoui ◽  
Pier Luca Palla ◽  
Guido Ori ◽  
Mauro Boero ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Thermal Regime ◽  
First Principles ◽  
Approach To Equilibrium ◽  
Transient Thermal ◽  
First Principles Molecular Dynamics

A transient thermal regime is achieved in glassy GeTe4by first-principles molecular dynamics following the recently proposed “approach-to-equilibrium” methodology.

Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics

2021 ◽  
Vol 129 (15) ◽  
pp. 155105
Author(s):  
Fernan Saiz ◽  
Yenal Karaaslan ◽  
Riccardo Rurali ◽  
Cem Sevik
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Interatomic Potential

Study of lattice thermal conductivity of tungsten containing bubbles by molecular dynamics simulation

2020 ◽  
Vol 161 ◽  
pp. 112004
Author(s):  
Hongyu Zhang ◽  
Jizhong Sun ◽  
Yingmin Wang ◽  
Thomas Stirner ◽  
Ali Y. Hamid ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Lattice Thermal Conductivity ◽  
Dynamics Simulation
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