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

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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Non-equilibrium molecular dynamics simulations of the thermal transport properties of Lennard-Jones fluids using configurational temperatures

Molecular Simulation ◽

10.1080/08927022.2016.1168926 ◽

2016 ◽

Vol 42 (14) ◽

pp. 1214-1222 ◽

Cited By ~ 8

Author(s):

Niall Jackson ◽

J. Miguel Rubi ◽

Fernando Bresme

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Transport Properties ◽

Thermal Transport ◽

Lennard Jones ◽

Thermal Transport Properties ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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Uncertainty quantification in non-equilibrium molecular dynamics simulations of thermal transport

International Journal of Heat and Mass Transfer ◽

10.1016/j.ijheatmasstransfer.2018.07.073 ◽

2018 ◽

Vol 127 ◽

pp. 297-307 ◽

Cited By ~ 6

Author(s):

Manav Vohra ◽

Ali Yousefzadi Nobakht ◽

Seungha Shin ◽

Sankaran Mahadevan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Uncertainty Quantification ◽

Thermal Transport ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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Soret coefficients and thermal conductivities of alkali halide aqueous solutions via non-equilibrium molecular dynamics simulations

Molecular Simulation ◽

10.1080/08927022.2018.1481960 ◽

2018 ◽

Vol 45 (4-5) ◽

pp. 351-357 ◽

Cited By ~ 1

Author(s):

Silvia Di Lecce ◽

Fernando Bresme

Keyword(s):

Molecular Dynamics ◽

Aqueous Solutions ◽

Molecular Dynamics Simulations ◽

Alkali Halide ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium ◽

Thermal Conductivities

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Note: Local thermal conductivities from boundary driven non-equilibrium molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.4858434 ◽

2014 ◽

Vol 140 (1) ◽

pp. 016102 ◽

Cited By ~ 14

Author(s):

F. Bresme ◽

J. Armstrong

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium ◽

Thermal Conductivities

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Thermal conductivities of single- and multi-layer phosphorene: a molecular dynamics study

Nanoscale ◽

10.1039/c5nr05451f ◽

2016 ◽

Vol 8 (1) ◽

pp. 483-491 ◽

Cited By ~ 108

Author(s):

Ying-Yan Zhang ◽

Qing-Xiang Pei ◽

Jin-Wu Jiang ◽

Ning Wei ◽

Yong-Wei Zhang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium ◽

Thermal Conductivities

We investigated the in-plane and cross-plane thermal conductivities of single and multi-layer phosphorene using non-equilibrium molecular dynamics simulations.

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A Study of Permeation of n-Butane through ZSM-5 Membrane by Using Monte Carlo and Equilibrium/Non-Equilibrium Molecular Dynamics Simulations.

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN ◽

10.1252/jcej.36.313 ◽

2003 ◽

Vol 36 (3) ◽

pp. 313-321 ◽

Cited By ~ 5

Author(s):

Shin-ichi Furukawa ◽

Tomoshige Nitta

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulations ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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Non-equilibrium molecular dynamics simulations of the spallation in Ni: Effect of vacancies

Computational Materials Science ◽

10.1016/j.commatsci.2017.05.039 ◽

2017 ◽

Vol 137 ◽

pp. 273-281 ◽

Cited By ~ 6

Author(s):

Tian Qiu ◽

Yongnan Xiong ◽

Shifang Xiao ◽

Xiaofan Li ◽

Wangyu Hu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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Shear Viscosity of Benzene, Toluene, and p-Xylene by Non-equilibrium Molecular Dynamics Simulations

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2004.25.2.321 ◽

2004 ◽

Vol 25 (2) ◽

pp. 321-324 ◽

Cited By ~ 6

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Shear Viscosity ◽

Benzene Toluene ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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A reversible problem in non-equilibrium thermodynamics: Hamiltonian evolution equations for non-equilibrium molecular dynamics simulations

Journal of Non-Newtonian Fluid Mechanics ◽

10.1016/s0377-0257(00)00132-4 ◽

2001 ◽

Vol 96 (1-2) ◽

pp. 163-175 ◽

Cited By ~ 35

Author(s):

Brian J Edwards ◽

Marco Dressler

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Evolution Equations ◽

Equilibrium Thermodynamics ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Hamiltonian Evolution ◽

Non Equilibrium

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Thermal conductivity and interfacial Thermal Resistance Behavior for the Polyaniline (C3N)– boron carbide (BC3) Heterostructure

Physical Chemistry Chemical Physics ◽

10.1039/d1cp00562f ◽

2021 ◽

Author(s):

Arian Mayelifartash ◽

Mohammad Ali Abdol ◽

Sadegh Sadeghzadeh

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Thermal Resistance ◽

Boron Carbide ◽

Molecular Dynamics Simulations ◽

Thermal Conductance ◽

Interfacial Thermal Resistance ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

In this paper, by employing non-equilibrium molecular dynamics simulations (NEMD), the thermal conductance of hybrid formed by polyaniline (C3N) and boron carbide (BC3) in both armchair and zigzag configurations has...

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