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.

Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics

2018 ◽  
Vol 20 (20) ◽  
pp. 14024-14030 ◽  
Author(s):  
Yajing Sun ◽  
Zhigang Shuai ◽  
Dong Wang
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Dynamics Simulation ◽  
Black Phosphorene ◽  
First Principles Molecular Dynamics

Our first-principles molecular dynamics simulation demonstrates that puckered AsP monolayer has reduced thermal conductivity and increased anisotropy as compared to black phosphorene.

Sign in / Sign up

Export Citation Format

Share Document