Constructing initial nanocrystalline configurations from phase field microstructures enables rational molecular dynamics simulation

Computational Materials Science ◽

10.1016/j.commatsci.2019.03.026 ◽

2019 ◽

Vol 163 ◽

pp. 162-166 ◽

Author(s):

Meng Zhang ◽

Ting Xu ◽

Meie Li ◽

Kun Sun ◽

Liang Fang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phase Field ◽

Dynamics Simulation

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Micrometer-scale molecular dynamics simulation of microstructure formation linked with multi-phase-field simulation in same space scale

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/1361-651x/ab1d28 ◽

2019 ◽

Vol 27 (5) ◽

pp. 054002 ◽

Author(s):

Yasushi Shibuta ◽

Shinji Sakane ◽

Eisuke Miyoshi ◽

Tomohiro Takaki ◽

Munekazu Ohno

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phase Field ◽

Dynamics Simulation ◽

Microstructure Formation ◽

Phase Field Simulation ◽

Field Simulation ◽

Space Scale ◽

Multi Phase ◽

Micrometer Scale

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Effect of grain boundary deformation on mechanical properties in nanocrystalline Cu film investigated by using phase field and molecular dynamics simulation methods

Journal of Applied Physics ◽

10.1063/1.5136326 ◽

2020 ◽

Vol 127 (12) ◽

pp. 125303 ◽

Author(s):

Meng Zhang ◽

Juan Chen ◽

Ting Xu ◽

Meie Li ◽

Kun Sun ◽

...

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Grain Boundary ◽

Phase Field ◽

Dynamics Simulation ◽

Simulation Methods ◽

Cu Film ◽

Boundary Deformation

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Phase-field crack analysis using estimated transition zone of crack by molecular dynamics simulation

AIP Advances ◽

10.1063/5.0054236 ◽

2021 ◽

Vol 11 (6) ◽

pp. 065206

Author(s):

K. Satake ◽

K. Okada ◽

M. Muramatsu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transition Zone ◽

Phase Field ◽

Dynamics Simulation ◽

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Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

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A molecular dynamics simulation for an ODIC phase. - III. Analysis of the correlation functions

Journal de Physique ◽

10.1051/jphys:01987004805082100 ◽

1987 ◽

Vol 48 (5) ◽

pp. 821-835 ◽

Author(s):

Ph. Buchet ◽

R.M. Pick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Correlation Functions ◽

Dynamics Simulation ◽

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ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

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SCALE INHIBITION OF SODIUM CARBOXYMETHYL CELLULOSE AT DIFFERENT GROWTH STAGES BASED ON MOLECULAR DYNAMICS SIMULATION

Heat Transfer Research ◽

10.1615/heattransres.2020033226 ◽

2020 ◽

Vol 51 (16) ◽

pp. 1455-1464

Author(s):

Yu Zhao ◽

Shanshan He ◽

Zhiming Xu ◽

Bingbing Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carboxymethyl Cellulose ◽

Dynamics Simulation ◽

Sodium Carboxymethyl Cellulose ◽

Growth Stages ◽

Scale Inhibition ◽

Different Growth Stages

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