A molecular dynamics simulation of the effect of high pressure on fast-ion conduction in a MgSiO3-perovskite analogue; KCaF3

Physics of The Earth and Planetary Interiors ◽

10.1016/0031-9201(94)02989-o ◽

1995 ◽

Vol 89 (1-2) ◽

pp. 137-144 ◽

Author(s):

G.W. Watson ◽

A. Wall ◽

S.C. Parker

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Ion Conduction ◽

Mgsio3 Perovskite ◽

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Molecular dynamics simulation of fast-ion conduction in SrCl2. II. Distribution of ions and specific heat anomaly

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/13/10/011 ◽

1980 ◽

Vol 13 (10) ◽

pp. 1919-1929 ◽

Author(s):

M Dixon

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Specific Heat ◽

Dynamics Simulation ◽

Ion Conduction ◽

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Molecular dynamics simulation of fast-ion conduction in SrCl2. I. Self-diffusion

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/13/10/010 ◽

1980 ◽

Vol 13 (10) ◽

pp. 1901-1917 ◽

Author(s):

M J Gillan ◽

M Dixon

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Ion Conduction ◽

Self Diffusion ◽

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Finite-size effects on the molecular dynamics simulation of fast-ion conductors: A case study of lithium garnet oxide Li7La3Zr2O12

Solid State Ionics ◽

10.1016/j.ssi.2016.03.002 ◽

2016 ◽

Vol 289 ◽

pp. 143-149 ◽

Author(s):

Matthew J. Klenk ◽

Wei Lai

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Size Effects ◽

Finite Size ◽

Dynamics Simulation ◽

Finite Size Effects ◽

Lithium Garnet ◽

Fast Ion Conductors ◽

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Molecular dynamics simulation of high-pressure CO2 pasteurization reveals the interfacial denaturation of proteins at CO2/water interface

Journal of CO2 Utilization ◽

10.1016/j.jcou.2019.10.004 ◽

2020 ◽

Vol 35 ◽

pp. 256-264 ◽

Author(s):

Hassan Monhemi ◽

Samaneh Dolatabadi

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Water Interface ◽

High Pressure Co2 ◽

Denaturation Of Proteins

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Equations of states for an ionic liquid under high pressure: A molecular dynamics simulation study

The Journal of Chemical Thermodynamics ◽

10.1016/j.jct.2014.03.028 ◽

2014 ◽

Vol 74 ◽

pp. 39-42 ◽

Author(s):

Mauro C.C. Ribeiro ◽

Agílio A.H. Pádua ◽

Margarida F.C. Gomes

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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First principles isothermal-isobaric centroid molecular dynamics simulation of high pressure ices

Chemical Physics Letters ◽

10.1016/j.cplett.2019.01.008 ◽

2019 ◽

Vol 717 ◽

pp. 141-146 ◽

Author(s):

Takashi Ikeda

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Dynamics Simulation

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Necessity of Large-Scaled and Non-Empirical Molecular Dynamics Simulation of Silicate Liquids at High Pressure

The Review of High Pressure Science and Technology ◽

10.4131/jshpreview.27.198 ◽

2017 ◽

Vol 27 (3) ◽

pp. 198-204 ◽

Author(s):

Fumiya NORITAKE

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Silicate Liquids

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The opposing effect of urea and high pressure on the conformation of the protein β-hairpin: A molecular dynamics simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.12.054 ◽

2018 ◽

Vol 251 ◽

pp. 378-384 ◽

Author(s):

Gargi Borgohain ◽

Sandip Paul

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Opposing Effect

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The Behavior of Ionic Liquids under High Pressure: A Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp3070568 ◽

2012 ◽

Vol 116 (35) ◽

pp. 10876-10884 ◽

Author(s):

Yuling Zhao ◽

Xiaomin Liu ◽

Xingmei Lu ◽

Suojiang Zhang ◽

Jianji Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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Mechanisms of Water Exchange between Lanthanide(III) Aqua Ions [Ln(H2O)n]3+ and bulk water: A Molecular Dynamics Simulation Approach Including High-Pressure Effects

Chemistry - A European Journal ◽

10.1002/chem.19960020309 ◽

1996 ◽

Vol 2 (3) ◽

pp. 285-294 ◽

Author(s):

Thomas Kowall ◽

François Foglia ◽

Lothar Helm ◽

André E. Merbach

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Water Exchange ◽

Pressure Effects ◽

Dynamics Simulation ◽

Simulation Approach ◽

High Pressure Effects

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