Molecular dynamics simulation of thermodynamic and thermal transport properties of strontium titanate with improved potential parameters

Computational Materials Science ◽

10.1016/j.commatsci.2012.03.027 ◽

2012 ◽

Vol 60 ◽

pp. 123-129 ◽

Author(s):

Wen Fong Goh ◽

Tiem Leong Yoon ◽

Sohail Aziz Khan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Strontium Titanate ◽

Thermal Transport ◽

Dynamics Simulation ◽

Thermal Transport Properties ◽

Potential Parameters

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Thermal transport properties of MgO and Nd2Zr2O7 pyrochlore by molecular dynamics simulation

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2008.06.043 ◽

2008 ◽

Vol 380 (1-3) ◽

pp. 1-7 ◽

Author(s):

P. Shukla ◽

T. Watanabe ◽

J.C. Nino ◽

J.S. Tulenko ◽

S.R. Phillpot

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Thermal Transport ◽

Dynamics Simulation ◽

Thermal Transport Properties

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Effect of pores and He bubbles on the thermal transport properties of UO2 by molecular dynamics simulation

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2014.09.052 ◽

2015 ◽

Vol 456 ◽

pp. 253-259 ◽

Author(s):

C.-W. Lee ◽

A. Chernatynskiy ◽

P. Shukla ◽

R.E. Stoller ◽

S.B. Sinnott ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Thermal Transport ◽

Dynamics Simulation ◽

Thermal Transport Properties

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Molecular Dynamics Simulation of Thermal Transport Properties for Boron Nitride Nanotubes

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201202273 ◽

2012 ◽

Vol 28 (05) ◽

pp. 1077-1084 ◽

Author(s):

GAO Yu-Fei ◽

◽

MENG Qing-Yuan ◽

ZHANG Lu ◽

LIU Jia-Qiu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Boron Nitride ◽

Transport Properties ◽

Thermal Transport ◽

Boron Nitride Nanotubes ◽

Dynamics Simulation ◽

Thermal Transport Properties

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Validation of intermolecular pair potential model of SiH4: Molecular-dynamics simulation for saturated liquid density and thermal transport properties

The Journal of Chemical Physics ◽

10.1063/1.1931650 ◽

2005 ◽

Vol 122 (23) ◽

pp. 234501 ◽

Author(s):

Yukinori Sakiyama ◽

Shu Takagi ◽

Yoichiro Matsumoto

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Thermal Transport ◽

Potential Model ◽

Pair Potential ◽

Dynamics Simulation ◽

Liquid Density ◽

Saturated Liquid ◽

Saturated Liquid Density

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Effect of graphene and carbon-nitride nanofillers on the thermal transport properties of polymer nanocomposites: A combined molecular dynamics and finite element study

Physical Review E ◽

10.1103/physreve.103.013310 ◽

2021 ◽

Vol 103 (1) ◽

Author(s):

Leila Razzaghi ◽

Maryam Khalkhali ◽

Ali Rajabpour ◽

Farhad Khoeini

Keyword(s):

Molecular Dynamics ◽

Finite Element ◽

Transport Properties ◽

Polymer Nanocomposites ◽

Thermal Transport ◽

Carbon Nitride ◽

Finite Element Study ◽

Thermal Transport Properties ◽

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Investigation of the thermal-transport properties for silicon nanofilm covered with graphene via nonequilibrium molecular dynamics

physica status solidi (b) ◽

10.1002/pssb.201147586 ◽

2012 ◽

Vol 249 (9) ◽

pp. 1728-1734 ◽

Author(s):

Yufei Gao ◽

Yuhang Jing ◽

Qingyuan Meng ◽

Lu Zhang ◽

Jiaqiu Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

Thermal Transport ◽

Nonequilibrium Molecular Dynamics ◽

Thermal Transport Properties

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Transport properties of cholesteric liquid crystals studied by molecular dynamics simulation

Molecular Physics ◽

10.1080/00268970110046321 ◽

2001 ◽

Vol 99 (15) ◽

pp. 1235-1247 ◽

Author(s):

STEN SARMAN

Keyword(s):

Molecular Dynamics ◽

Liquid Crystals ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Dynamics Simulation ◽

Cholesteric Liquid Crystals

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Molecular dynamics simulation of the transport properties of molten LiF–NaBr and LiF–KBr

Russian Metallurgy (Metally) ◽

10.1134/s0036029516020063 ◽

2016 ◽

Vol 2016 (8) ◽

pp. 709-714

Author(s):

M. A. Kobelev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Dynamics Simulation

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Effect of aSiO2layer on the thermal transport properties of〈100〉Sinanowires: A molecular dynamics study

Physical Review B ◽

10.1103/physrevb.91.115308 ◽

2015 ◽

Vol 91 (11) ◽

Author(s):

Tomofumi Zushi ◽

Kenji Ohmori ◽

Keisaku Yamada ◽

Takanobu Watanabe

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

Thermal Transport ◽

Thermal Transport Properties

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Transport Properties of Condensable and Non-condensable Gas Mixtures through Microporous Silica Membranes Studied with Molecular Dynamics Simulation

KAGAKU KOGAKU RONBUNSHU ◽

10.1252/kakoronbunshu.32.11 ◽

2006 ◽

Vol 32 (1) ◽

pp. 11-17 ◽

Author(s):

Tomohisa Yoshioka ◽

Toshinori Tsuru ◽

Masashi Asaeda

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Gas Mixtures ◽

Dynamics Simulation ◽

Microporous Silica ◽

Silica Membranes

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