Atomic-scale structure of the glassy Ge2Sb2Te5 phase change material: A quantitative assessment via first-principles molecular dynamics

Physical Review B ◽

10.1103/physrevb.96.224204 ◽

2017 ◽

Vol 96 (22) ◽

Author(s):

Assil Bouzid ◽

Guido Ori ◽

Mauro Boero ◽

Evelyne Lampin ◽

Carlo Massobrio

Keyword(s):

Molecular Dynamics ◽

Phase Change ◽

Phase Change Material ◽

First Principles ◽

Quantitative Assessment ◽

Scale Structure ◽

Atomic Scale ◽

Atomic Scale Structure ◽

Change Material ◽

First Principles Molecular Dynamics

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Molecular dynamics simulation of nanoparticle effect on melting enthalpy of paraffin phase change material

International Journal of Heat and Mass Transfer ◽

10.1016/j.ijheatmasstransfer.2020.119382 ◽

2020 ◽

Vol 150 ◽

pp. 119382 ◽

Author(s):

C.Y. Zhao ◽

Y.B. Tao ◽

Y.S. Yu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phase Change ◽

Phase Change Material ◽

Melting Enthalpy ◽

Dynamics Simulation ◽

Nanoparticle Effect ◽

Change Material

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First-principles molecular dynamics investigation of the atomic-scale energy transport: From heat conduction to thermal radiation

International Journal of Heat and Mass Transfer ◽

10.1016/j.ijheatmasstransfer.2012.12.051 ◽

2013 ◽

Vol 60 ◽

pp. 69-80 ◽

Author(s):

Pengfei Ji ◽

Yuwen Zhang

Keyword(s):

Molecular Dynamics ◽

Heat Conduction ◽

Thermal Radiation ◽

First Principles ◽

Energy Transport ◽

Atomic Scale ◽

First Principles Molecular Dynamics

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First-principles study of the atomic-scale structure of clean silicon tips in dynamic force microscopy

Physical Review B ◽

10.1103/physrevb.74.165318 ◽

2006 ◽

Vol 74 (16) ◽

Author(s):

V. Caciuc ◽

H. Hölscher ◽

S. Blügel ◽

H. Fuchs

Keyword(s):

First Principles ◽

Scale Structure ◽

Atomic Scale ◽

Dynamic Force ◽

Force Microscopy ◽

First Principles Study ◽

Atomic Scale Structure

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Structure of liquid phase change material AgInSbTe from density functional/molecular dynamics simulations

Applied Physics Letters ◽

10.1063/1.3157166 ◽

2009 ◽

Vol 94 (25) ◽

pp. 251905 ◽

Author(s):

J. Akola ◽

R. O. Jones

Keyword(s):

Molecular Dynamics ◽

Liquid Phase ◽

Phase Change ◽

Molecular Dynamics Simulations ◽

Phase Change Material ◽

Density Functional ◽

Dynamics Simulations ◽

Change Material ◽

Structure Of Liquid

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A molecular dynamics study of the effects of crystalline structure transition on the thermal conductivity of pentaerythritol as a solid-solid phase change material

International Journal of Heat and Mass Transfer ◽

10.1016/j.ijheatmasstransfer.2019.07.017 ◽

2019 ◽

Vol 141 ◽

pp. 789-798 ◽

Author(s):

Biao Feng ◽

Jing Tu ◽

Ju-Wei Sun ◽

Li-Wu Fan ◽

Yi Zeng

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Phase Change ◽

Phase Change Material ◽

Crystalline Structure ◽

Solid Phase ◽

Structure Transition ◽

Change Material

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A molecular dynamics study of nano-encapsulated phase change material slurry

Applied Thermal Engineering ◽

10.1016/j.applthermaleng.2015.12.124 ◽

2016 ◽

Vol 98 ◽

pp. 835-840 ◽

Author(s):

Yan Wang ◽

Zhenqian Chen ◽

Xiang Ling

Keyword(s):

Molecular Dynamics ◽

Phase Change ◽

Phase Change Material ◽

Encapsulated Phase Change Material ◽

Change Material

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Structure of the liquid and the crystal of the phase-change materialSnSe2: First-principles molecular dynamics

Physical Review B ◽

10.1103/physrevb.78.224209 ◽

2008 ◽

Vol 78 (22) ◽

Author(s):

M. Micoulaut ◽

W. Wełnic ◽

M. Wuttig

Keyword(s):

Molecular Dynamics ◽

Phase Change ◽

First Principles ◽

First Principles Molecular Dynamics

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The atomic scale structure of nanographene platelets studied by X-ray diffraction, high-resolution transmission electron microscopy and molecular dynamics

Diamond and Related Materials ◽

10.1016/j.diamond.2013.03.004 ◽

2013 ◽

Vol 35 ◽

pp. 40-46 ◽

Author(s):

L. Hawelek ◽

A. Kolano-Burian ◽

J. Szade ◽

W. Maziarz ◽

N. Woznica ◽

...

Keyword(s):

Electron Microscopy ◽

Molecular Dynamics ◽

Transmission Electron Microscopy ◽

High Resolution ◽

Scale Structure ◽

Atomic Scale ◽

X Ray Diffraction ◽

X Ray ◽

Transmission Electron ◽

Atomic Scale Structure

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Quantitative assessment of the structure of Ge20Te73I7 chalcohalide glass by first-principles molecular dynamics

Physical Review B ◽

10.1103/physrevb.103.094204 ◽

2021 ◽

Vol 103 (9) ◽

Author(s):

Assil Bouzid ◽

Tan-Lien Pham ◽

Ziyad Chaker ◽

Mauro Boero ◽

Carlo Massobrio ◽

...

Keyword(s):

Molecular Dynamics ◽

First Principles ◽

Quantitative Assessment ◽

First Principles Molecular Dynamics

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Thermal conductivity enhancement of phase change material with charged nanoparticle: A molecular dynamics simulation

Energy ◽

10.1016/j.energy.2021.123033 ◽

2021 ◽

pp. 123033

Author(s):

C.Y. Zhao ◽

Y.B. Tao ◽

Y.S. Yu

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phase Change ◽

Phase Change Material ◽

Thermal Conductivity Enhancement ◽

Dynamics Simulation ◽

Conductivity Enhancement ◽

Change Material

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