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

Thermal Conductance ◽

Interfacial Thermal Resistance ◽

Dynamics Simulations ◽

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...

Extrapolation of thermal conductivity in non-equilibrium molecular dynamics simulations to bulk scale

International Communications in Heat and Mass Transfer ◽

10.1016/j.icheatmasstransfer.2020.104880 ◽

2020 ◽

Vol 118 ◽

pp. 104880

Author(s):

Khaled Talaat ◽

Mohamed S. El-Genk ◽

Benjamin Cowen

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Bulk Scale ◽

Dynamics Simulations ◽

Thermal conductivity and thermal rectification in carbon nanotubes with geometric variations of doped nitrogen: Non-equilibrium molecular dynamics simulations

Physics Letters A ◽

10.1016/j.physleta.2010.10.004 ◽

2010 ◽

Vol 374 (48) ◽

pp. 4885-4889 ◽

Cited By ~ 22

Author(s):

Shih-Kai Chien ◽

Yue-Tzu Yang ◽

Cha'o-Kuang Chen

Keyword(s):

Thermal Conductivity ◽

Carbon Nanotubes ◽

Molecular Dynamics ◽

Thermal Rectification ◽

Dynamics Simulations ◽

Thermal Conductivity in Zeolites Studied by Non-equilibrium Molecular Dynamics Simulations

International Journal of Thermophysics ◽

10.1007/s10765-013-1467-2 ◽

2013 ◽

Vol 34 (7) ◽

pp. 1197-1213 ◽

Cited By ~ 6

Author(s):

Sondre K. Schnell ◽

Thijs J. H. Vlugt

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Dynamics Simulations ◽

Impacts of potential models on calculating the thermal conductivity of graphene using non-equilibrium molecular dynamics simulations

International Journal of Heat and Mass Transfer ◽

10.1016/j.ijheatmasstransfer.2016.11.065 ◽

2017 ◽

Vol 107 ◽

pp. 450-460 ◽

Cited By ~ 36

Author(s):

Chao Si ◽

Xiao-Dong Wang ◽

Zhen Fan ◽

Zhi-Hai Feng ◽

Bing-Yang Cao

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations ◽

Thermal conductivity of carbon nanotube—polyamide-6,6 nanocomposites: Reverse non-equilibrium molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.3660348 ◽

2011 ◽

Vol 135 (18) ◽

pp. 184905 ◽

Cited By ~ 27

Author(s):

Mohammad Alaghemandi ◽

Florian Müller-Plathe ◽

Michael C. Böhm

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Carbon Nanotube ◽

Dynamics Simulations ◽

Kapitza thermal conductance at the interface between Lennard-Jones crystals using non-equilibrium molecular dynamics simulations

Journal of Physics Conference Series ◽

10.1088/1742-6596/395/1/012115 ◽

2012 ◽

Vol 395 ◽

pp. 012115 ◽

Cited By ~ 1

Author(s):

Samy Merabia ◽

Konstantinos Termentzidis

Keyword(s):

Molecular Dynamics ◽

Thermal Conductance ◽

Lennard Jones ◽

Dynamics Simulations ◽

The effect of external temperature gradients on thermal conductivity in non-equilibrium molecular dynamics simulations: From nanowires to bulk Si

The Journal of Chemical Physics ◽

10.1063/1.5107485 ◽

2019 ◽

Vol 151 (6) ◽

pp. 064116

Author(s):

Enrui Zhang ◽

Yunpeng Yao ◽

Tianyu Gao ◽

Dongdong Kang ◽

Jianhua Wu ◽

...

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Temperature Gradients ◽

External Temperature ◽

Dynamics Simulations ◽

Thermal conductivity of graphene/graphane/graphene heterostructure nanoribbons: Non-equilibrium molecular dynamics simulations

Solid State Communications ◽

10.1016/j.ssc.2021.114249 ◽

2021 ◽

Vol 328 ◽

pp. 114249

Author(s):

Jong-Chol Kim ◽

Ju-Hyok Wi ◽

Nam-Chol Ri ◽

Su-Il Ri

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Dynamics Simulations ◽

Thermal and Thermomechanical Proceedings 10th Intersociety Conference on Phenomena in Electronics Systems, 2006. ITHERM 2006. ◽

Thermal conductivity of amorphous silica using non-equilibrium molecular dynamics simulations

10.1109/itherm.2006.1645491 ◽

2006 ◽

Author(s):

S. Mahajan ◽

G. Subbarayan ◽

B.G. Sammakia

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Amorphous Silica ◽

Dynamics Simulations ◽

Vibrational mean free paths and thermal conductivity of amorphous silicon from non-equilibrium molecular dynamics simulations

AIP Advances ◽

10.1063/1.4968617 ◽

2016 ◽

Vol 6 (12) ◽

pp. 121904 ◽

Cited By ~ 15

Author(s):

K. Sääskilahti ◽

J. Oksanen ◽

J. Tulkki ◽

A. J. H. McGaughey ◽

S. Volz

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Amorphous Silicon ◽

Dynamics Simulations ◽