Molecular-dynamics calculation of the vacancy heat of transport

Patrick K. Schelling; Jacques Ernotte; Lalit Shokeen; J. Woods Halley; William C. Tucker

doi:10.1063/1.4886577

Molecular-dynamics calculation of the vacancy heat of transport

Journal of Applied Physics ◽

10.1063/1.4886577 ◽

2014 ◽

Vol 116 (2) ◽

pp. 023506

Author(s):

Patrick K. Schelling ◽

Jacques Ernotte ◽

Lalit Shokeen ◽

J. Woods Halley ◽

William C. Tucker

Keyword(s):

Molecular Dynamics ◽

Heat Of Transport ◽

Dynamics Calculation

Download Full-text

Molecular Dynamics Calculation of Interaction Forces between Colloids in Aqueous Electrolyte Solutions Using an Implicit Solvent Model

KAGAKU KOGAKU RONBUNSHU ◽

10.1252/kakoronbunshu.31.295 ◽

2005 ◽

Vol 31 (5) ◽

pp. 295-300 ◽

Cited By ~ 1

Author(s):

Shintaro Morisada ◽

Kenji Muranishi ◽

Hiroyuki Shinto ◽

Ko Higashitani

Keyword(s):

Molecular Dynamics ◽

Aqueous Electrolyte ◽

Electrolyte Solutions ◽

Implicit Solvent ◽

Interaction Forces ◽

Implicit Solvent Model ◽

Aqueous Electrolyte Solutions ◽

Solvent Model ◽

Dynamics Calculation

Download Full-text

Molecular dynamics calculation of infra-red spectra of ultra-dispersed atmospheric moisture

Journal of Computational Methods in Sciences and Engineering ◽

10.3233/jcm-2010-0326 ◽

2010 ◽

Vol 10 (3-6) ◽

pp. 321-340

Author(s):

A.Y. Galashev

Keyword(s):

Molecular Dynamics ◽

Atmospheric Moisture ◽

Infra Red ◽

Dynamics Calculation

Download Full-text

Molecular-dynamics approach for determining the vacancy heat of transport

Computational Materials Science ◽

10.1016/j.commatsci.2011.03.014 ◽

2011 ◽

Vol 50 (8) ◽

pp. 2363-2370 ◽

Cited By ~ 6

Author(s):

Zachary McDargh ◽

Patrick K. Schelling

Keyword(s):

Molecular Dynamics ◽

Heat Of Transport

Download Full-text

Nonequilibrium molecular dynamics calculation of self‐diffusion in a non‐Newtonian fluid subject to a Couette strain field

The Journal of Chemical Physics ◽

10.1063/1.459886 ◽

1991 ◽

Vol 94 (3) ◽

pp. 2149-2158 ◽

Cited By ~ 54

Author(s):

P. T. Cummings ◽

B. Y. Wang ◽

D. J. Evans ◽

K. J. Fraser

Keyword(s):

Molecular Dynamics ◽

Newtonian Fluid ◽

Strain Field ◽

Nonequilibrium Molecular Dynamics ◽

Self Diffusion ◽

Dynamics Calculation

Download Full-text

Molecular dynamics calculation of the transport coefficients of liquid benzene+cyclohexane mixtures using six‐center Lennard‐Jones potentials

The Journal of Chemical Physics ◽

10.1063/1.466207 ◽

1993 ◽

Vol 99 (12) ◽

pp. 9912-9916 ◽

Cited By ~ 13

Author(s):

H. M. Schaink ◽

H. Luo ◽

C. Hoheisel

Keyword(s):

Molecular Dynamics ◽

Transport Coefficients ◽

Lennard Jones ◽

Liquid Benzene ◽

Dynamics Calculation

Download Full-text

Effect of the molecule shape on the diffusion in molecular fluids. Molecular dynamics calculation results for SF6–C6H6 and a related model solution

The Journal of Chemical Physics ◽

10.1063/1.455277 ◽

1988 ◽

Vol 89 (12) ◽

pp. 7457-7461 ◽

Cited By ~ 13

Author(s):

C. Hoheisel

Keyword(s):

Molecular Dynamics ◽

Model Solution ◽

Molecular Fluids ◽

Related Model ◽

Calculation Results ◽

Dynamics Calculation

Download Full-text

Boundary-Driven Non-Equilibrium Molecular Dynamics Calculation of the Soret Coefficient in n-Hexane/n-Dodecane Mixtures

Russian Journal of Physical Chemistry B ◽

10.1134/s1990793121030180 ◽

2021 ◽

Vol 15 (3) ◽

pp. 539-546

Author(s):

Xiaoyu Chen ◽

Ruquan Liang ◽

Yong Wang ◽

Ziqi Xia ◽

Lichun Wu ◽

...

Keyword(s):

Molecular Dynamics ◽

Soret Coefficient ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Calculation ◽

Non Equilibrium

Download Full-text

Molecular dynamics calculation of 2 billion atoms on massively parallel processors

Computational Fluid and Solid Mechanics ◽

10.1016/b978-008043944-0/50691-0 ◽

2001 ◽

pp. 496-498

Author(s):

Akiyuki Takahashi ◽

Genki Yagawa

Keyword(s):

Molecular Dynamics ◽

Parallel Processors ◽

Massively Parallel ◽

Dynamics Calculation

Download Full-text

Molecular Dynamics Calculation of Counter Anion Effects on Liquid-Liquid Extraction of Alkali Metal Ions with Spirobenzopyran Derivatives Bearing a Monoazacrown Ether Moiety

Journal of Computer Chemistry Japan ◽

10.2477/jccj.h2121 ◽

2010 ◽

Vol 9 (2) ◽

pp. 67-72

Author(s):

Hitoshi IWAMOTO ◽

Keiichi KIMURA

Keyword(s):

Molecular Dynamics ◽

Alkali Metal ◽

Metal Ions ◽

Liquid Extraction ◽

Alkali Metal Ions ◽

Counter Anion ◽

Liquid Liquid Extraction ◽

Dynamics Calculation

Download Full-text

Non-equilibrium molecular dynamics calculation of heat conduction in liquid and through liquid-gas interface

Molecular Physics ◽

10.1080/00268979400100171 ◽

1994 ◽

Vol 81 (2) ◽

pp. 251-261 ◽

Cited By ~ 229

Author(s):

Tamio Ikeshoji ◽

Bjørn Hafskjold

Keyword(s):

Molecular Dynamics ◽

Heat Conduction ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Calculation ◽

Non Equilibrium

Download Full-text