2416 Predicting thermal conductivity of Si solid with molecular dynamics : comparison of non-equilibrium and wave-propagation methods

Ryosuke KIMURA; Shuji OGATA; Ryo KOBAYASHI; Tomoyuki TAMURA; Takahisa KONO; Koichi TANAKA

doi:10.1299/jsmecmd.2013.26._2416-1_

2416 Predicting thermal conductivity of Si solid with molecular dynamics : comparison of non-equilibrium and wave-propagation methods

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2013.26._2416-1_ ◽

2013 ◽

Vol 2013.26 (0) ◽

pp. _2416-1_-_2416-2_

Author(s):

Ryosuke KIMURA ◽

Shuji OGATA ◽

Ryo KOBAYASHI ◽

Tomoyuki TAMURA ◽

Takahisa KONO ◽

...

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Wave Propagation ◽

Propagation Methods ◽

Non Equilibrium

Evaluation of momentum conservation influence in non-equilibrium molecular dynamics methods to compute thermal conductivity

Physica B Condensed Matter ◽

10.1016/j.physb.2005.11.156 ◽

2006 ◽

Vol 373 (2) ◽

pp. 291-296 ◽

Cited By ~ 36

Author(s):

ZhengXing Huang ◽

ZhenAn Tang

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Momentum Conservation ◽

Molecular Dynamics Methods ◽

Non Equilibrium Molecular Dynamics ◽

Non Equilibrium

Thermal conductivity of silicon using reverse non-equilibrium molecular dynamics

Journal of Applied Physics ◽

10.1063/1.5030871 ◽

2018 ◽

Vol 123 (20) ◽

pp. 205104 ◽

Cited By ~ 11

Author(s):

Mohamed S. El-Genk ◽

Khaled Talaat ◽

Benjamin J. Cowen

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Non Equilibrium Molecular Dynamics ◽

Non Equilibrium

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...

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 ◽

Molecular Dynamics Simulations ◽

Bulk Scale ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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 ◽

Molecular Dynamics Simulations ◽

Thermal Rectification ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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 ◽

Molecular Dynamics Simulations ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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 ◽

Molecular Dynamics Simulations ◽

Potential Models ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

Study on thermal conductivity of boron nitride in hexagonal structure in atomistic scale by using Non-Equilibrium Molecular Dynamics technique

2013 14th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE) ◽

10.1109/eurosime.2013.6529969 ◽

2013 ◽

Author(s):

B. Platek ◽

T. Falat ◽

J. Felba

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Boron Nitride ◽

Hexagonal Structure ◽

Non Equilibrium Molecular Dynamics ◽

Non Equilibrium

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 ◽

Molecular Dynamics Simulations ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

Prediction of specific heat and thermal conductivity of nanofluids by a combined equilibrium and non-equilibrium molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2012.08.010 ◽

2012 ◽

Vol 175 ◽

pp. 51-58 ◽

Cited By ~ 51

Author(s):

Ali Mohebbi

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Specific Heat ◽

Dynamics Simulation ◽

Non Equilibrium Molecular Dynamics ◽

Non Equilibrium