scholarly journals Thermal transport properties of single-layer black phosphorus from extensive molecular dynamics simulations

2018 ◽  
Vol 26 (8) ◽  
pp. 085001 ◽  
Author(s):  
Ke Xu ◽  
Zheyong Fan ◽  
Jicheng Zhang ◽  
Ning Wei ◽  
Tapio Ala-Nissila
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Thermal Transport ◽  
Single Layer ◽  
Black Phosphorus ◽  
Thermal Transport Properties ◽  
Dynamics Simulations

Investigation of thermal transport properties in pillared-graphene structure using nonequilibrium molecular dynamics simulations

2020 ◽  
Vol 10 (3) ◽  
pp. 506-511 ◽  
Author(s):  
Khaled Almahmoud ◽  
Thiruvillamalai Mahadevan ◽  
Nastaran Barhemmati-Rajab ◽  
Jincheng Du ◽  
Huseyin Bostanci ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Thermal Transport ◽  
Nonequilibrium Molecular Dynamics ◽  
Thermal Transport Properties ◽  
Dynamics Simulations ◽  
Image Position

scholarly journals Impact of screw and edge dislocations on the thermal conductivity of individual nanowires and bulk GaN: a molecular dynamics study

2018 ◽  
Vol 20 (7) ◽  
pp. 5159-5172 ◽  
Author(s):  
Konstantinos Termentzidis ◽  
Mykola Isaiev ◽  
Anastasiia Salnikova ◽  
Imad Belabbas ◽  
David Lacroix ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Thermal Transport ◽  
Thermal Transport Properties ◽  
Bulk Gan ◽  
Dynamics Simulations ◽  
Edge Dislocations

The thermal transport properties of nanowires and bulk GaN in the presence of different dislocations using molecular dynamics simulations are reported.

Thermal transport properties of uranium dioxide by molecular dynamics simulations

2008 ◽  
Vol 375 (3) ◽  
pp. 388-396 ◽  
Author(s):  
Taku Watanabe ◽  
Susan B. Sinnott ◽  
James S. Tulenko ◽  
Robin W. Grimes ◽  
Patrick K. Schelling ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Uranium Dioxide ◽  
Thermal Transport ◽  
Thermal Transport Properties ◽  
Dynamics Simulations

Investigation of thermal transport properties of copper-supported pillared-graphene structure using molecular dynamics simulations

2020 ◽  
Vol 10 (4) ◽  
pp. 695-701
Author(s):  
Khaled Almahmoud ◽  
Thiruvillamalai Mahadevan ◽  
Jincheng Du ◽  
Huseyin Bostanci ◽  
Weihuan Zhao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Thermal Transport ◽  
Thermal Transport Properties ◽  
Dynamics Simulations

The mechanical and thermal properties of MoS2–WSe2 lateral heterostructures

2019 ◽  
Vol 21 (28) ◽  
pp. 15845-15853 ◽  
Author(s):  
Huasong Qin ◽  
Qing-Xiang Pei ◽  
Yilun Liu ◽  
Yong-Wei Zhang
Keyword(s):  
Molecular Dynamics ◽  
Thermal Properties ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Thermal Transport ◽  
Mechanical And Thermal Properties ◽  
Thermal Transport Properties ◽  
Dynamics Simulations

We investigate the mechanical and thermal transport properties of MoS2–WSe2 lateral heterostructures using molecular dynamics simulations.

In-plane thermal transport in black phosphorene/graphene layered heterostructures: a molecular dynamics study

2018 ◽  
Vol 20 (32) ◽  
pp. 21151-21162 ◽  
Author(s):  
Ting Liang ◽  
Ping Zhang ◽  
Peng Yuan ◽  
Siping Zhai
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Thermal Transport ◽  
Single Layer ◽  
Black Phosphorene ◽  
Non Equilibrium Molecular Dynamics ◽  
Dynamics Simulations ◽  
Non Equilibrium ◽  
Thermal Conductivities

We use non-equilibrium molecular dynamics simulations to study the in-plane thermal conductivities of black phosphorene/graphene heterostructures and single-layer black phosphorene in black phosphorene/graphene heterostructures.

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