Rigid unit modes in the molecular dynamics simulation of quartz and the incommensurate phase transition

FrankStefan Tautz; Volker Heine; MartinT. Dove; Xiaojie Chen

doi:10.1007/bf00200190

Rigid unit modes in the molecular dynamics simulation of quartz and the incommensurate phase transition

Physics and Chemistry of Minerals ◽

10.1007/bf00200190 ◽

1991 ◽

Vol 18 (5) ◽

Cited By ~ 39

Author(s):

FrankStefan Tautz ◽

Volker Heine ◽

MartinT. Dove ◽

Xiaojie Chen

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Incommensurate Phase ◽

Dynamics Simulation ◽

Rigid Unit Modes

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Molecular dynamics simulation of the thermal properties of the Cu-water nanofluid on a roughed Platinum surface: Simulation of phase transition in nanofluids

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.114832 ◽

2020 ◽

pp. 114832

Author(s):

Nidal H. Abu-Hamdeh ◽

Eydhah Almatrafi ◽

M. Hekmatifar ◽

D. Toghraie ◽

Ali Golmohammadzadeh

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Thermal Properties ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Platinum Surface

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Study on the interaction of CaCO 3 nanoparticles and surfactant in emulsion phase transition and its molecular dynamics simulation

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2016.09.034 ◽

2016 ◽

Vol 511 ◽

pp. 105-112 ◽

Cited By ~ 1

Author(s):

Rui Zhang ◽

Jin-hua Huo ◽

Zhi-gang Peng ◽

Wen-jia Luo ◽

Qian Feng ◽

...

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Emulsion Phase

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Molecular dynamics simulation of the pressure-induced phase transition in BaFCl

Radiation Effects and Defects in Solids ◽

10.1080/10420150215840 ◽

2002 ◽

Vol 157 (6-12) ◽

pp. 799-803 ◽

Cited By ~ 2

Author(s):

T. Kurobori ◽

M. Liu ◽

H. Tsunekawa ◽

Y. Hirose ◽

M. Takeuchi

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential

PLoS ONE ◽

10.1371/journal.pone.0151704 ◽

2016 ◽

Vol 11 (3) ◽

pp. e0151704 ◽

Cited By ~ 5

Author(s):

Wenduo Chen ◽

Youliang Zhu ◽

Fengchao Cui ◽

Lunyang Liu ◽

Zhaoyan Sun ◽

...

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Coarse Grained ◽

Liquid Crystal Phase ◽

Accelerated Molecular Dynamics ◽

Crystal Phase Transition ◽

Liquid Crystal Phase Transition

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Molecular dynamics simulation of thermodynamic properties and local structure of Na2CO3-K2CO3 eutectic salt during phase transition

Journal of Energy Storage ◽

10.1016/j.est.2021.103221 ◽

2021 ◽

Vol 43 ◽

pp. 103221

Author(s):

Yunkun Lu ◽

Gaoqun Zhang ◽

Junjie Hao ◽

Jingcen Zhang ◽

Liang Chang ◽

...

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Local Structure ◽

Dynamics Simulation ◽

Eutectic Salt

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Molecular dynamics simulation analyses of viral fusion peptides in membranes prone to phase transition: effects on membrane curvature, phase behavior and lipid-water interface destabilization

Journal of Biophysical Chemistry ◽

10.4236/jbpc.2010.11003 ◽

2010 ◽

Vol 01 (01) ◽

pp. 19-32 ◽

Cited By ~ 3

Author(s):

Manami Nishizawa ◽

Kazuhisa Nishizawa

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phase Behavior ◽

Membrane Curvature ◽

Dynamics Simulation ◽

Water Interface ◽

Viral Fusion ◽

Fusion Peptides ◽

Transition Effects

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Interfacial Interactions in a Model Composite Material: Insights into α → β Phase Transition of the Magnetite Reinforced Poly(Vinylidene Fluoride) Systems by All-Atom Molecular Dynamics Simulation

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c05894 ◽

2021 ◽

Vol 125 (39) ◽

pp. 21635-21644

Author(s):

Mehdi Sahihi ◽

Andres Jaramillo-Botero ◽

William A. Goddard ◽

Fahmi Bedoui

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Composite Material ◽

Molecular Dynamics Simulation ◽

Vinylidene Fluoride ◽

Dynamics Simulation ◽

Interfacial Interactions ◽

Model Composite ◽

Β Phase ◽

Poly Vinylidene Fluoride

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Molecular Dynamics Simulation of Ultra-Fast Phase Transition in Water Nanofilms

10.1115/1.0001440v ◽

2021 ◽

Author(s):

Malcolm Porterfield ◽

Diana-Andra Borca-Tasciuc

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Fast Phase

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Molecular-Dynamics Simulation of the Structural Phase Transition on the Si(100) Surface

Ordering at Surfaces and Interfaces - Springer Series in Materials Science ◽

10.1007/978-3-642-84482-9_15 ◽

1992 ◽

pp. 129-136

Author(s):

S. Sawada

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Phase Transition ◽

Structural Phase ◽

Dynamics Simulation

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Fundamental mechanism of BCC-FCC phase transition from a constructed PdCu potential through molecular dynamics simulation

Computational Materials Science ◽

10.1016/j.commatsci.2018.12.037 ◽

2019 ◽

Vol 159 ◽

pp. 440-447 ◽

Cited By ~ 8

Author(s):

W. Wei ◽

L.C. Liu ◽

H.R. Gong ◽

M. Song ◽

M.L. Chang ◽

...

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Fcc Phase ◽

Fundamental Mechanism

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