Molecular Dynamics Simulations of the Oxidation of Aluminum Nanoparticles

Saman Alavi; John W. Mintmire; Donald L. Thompson

doi:10.1021/jp046196x

Molecular Dynamics Simulations of the Oxidation of Aluminum Nanoparticles

The Journal of Physical Chemistry B ◽

10.1021/jp046196x ◽

2005 ◽

Vol 109 (1) ◽

pp. 209-214 ◽

Cited By ~ 26

Author(s):

Saman Alavi ◽

John W. Mintmire ◽

Donald L. Thompson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aluminum Nanoparticles ◽

Dynamics Simulations

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Molecular Dynamics Simulations of the Melting of Aluminum Nanoparticles†

The Journal of Physical Chemistry A ◽

10.1021/jp053318s ◽

2006 ◽

Vol 110 (4) ◽

pp. 1518-1523 ◽

Cited By ~ 137

Author(s):

Saman Alavi ◽

Donald L. Thompson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aluminum Nanoparticles ◽

Dynamics Simulations

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Molecular dynamics simulations of aluminum nanoparticles adsorbed by ethanol molecules using the ReaxFF reactive force field

Computational Materials Science ◽

10.1016/j.commatsci.2018.04.054 ◽

2018 ◽

Vol 151 ◽

pp. 95-105 ◽

Cited By ~ 10

Author(s):

Junpeng Liu ◽

Pingan Liu ◽

Mengjun Wang

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Aluminum Nanoparticles ◽

Reactive Force ◽

Reactive Force Field ◽

Reaxff Reactive Force Field ◽

Dynamics Simulations

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Molecular Dynamics Simulations of the Oxidation of Aluminum Nanoparticles using the ReaxFF Reactive Force Field

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b04650 ◽

2015 ◽

Vol 119 (31) ◽

pp. 17876-17886 ◽

Cited By ~ 65

Author(s):

Sungwook Hong ◽

Adri C.T. van Duin

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Aluminum Nanoparticles ◽

Reactive Force ◽

Reactive Force Field ◽

Reaxff Reactive Force Field ◽

Dynamics Simulations

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Atomistic-Scale Analysis of Carbon Coating and Its Effect on the Oxidation of Aluminum Nanoparticles by ReaxFF-Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b00786 ◽

2016 ◽

Vol 120 (17) ◽

pp. 9464-9474 ◽

Cited By ~ 50

Author(s):

Sungwook Hong ◽

Adri C. T. van Duin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Carbon Coating ◽

Aluminum Nanoparticles ◽

Scale Analysis ◽

Dynamics Simulations

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The effect of heating rate on the sintering of aluminum nanospheres

Physical Chemistry Chemical Physics ◽

10.1039/d0cp06669a ◽

2021 ◽

Author(s):

Jun Jiang ◽

Pengwan Chen ◽

Jiali Qiu ◽

Weifu Sun ◽

Sergei A. Chizhik ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Heating Rate ◽

Aluminum Nanoparticles ◽

Heating Rates ◽

Dynamics Simulations

Molecular dynamics simulations have been performed to study the influence of five different heating rates on the sintering of aluminum nanoparticles with a diameter of 4-10 nm, mainly by studying...

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Cited By ~ 27

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Liquid Alkanes

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