nonequilibrium molecular dynamics simulation Latest Research Papers

An intensive understanding of the rheological and structural properties of polymer physical networks formed via the associative functional groups at the molecular level is still lacking. Herein, we employed coarse-grained...

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Understanding lithium transport in SEI films: a nonequilibrium molecular dynamics simulation

Molecular Simulation ◽

10.1080/08927022.2020.1746304 ◽

2020 ◽

Vol 46 (7) ◽

pp. 573-580

Author(s):

Shaoyang Zhang ◽

Yu Liu ◽

Honglai Liu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Lithium Transport ◽

Nonequilibrium Molecular Dynamics Simulation

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Nonequilibrium Molecular Dynamics Simulation of Diatomic Ions in Supercritical Gases in an Electrostatic Field

International Conference of Computational Methods in Sciences and Engineering 2004 (ICCMSE 2004) ◽

10.1201/9780429081385-83 ◽

2019 ◽

pp. 341-342

Author(s):

Nikos D. Margetis ◽

Andreas D. Koutselos

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Electrostatic Field ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics Simulation

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Semi-classical generalized Langevin equation for equilibrium and nonequilibrium molecular dynamics simulation

Progress in Surface Science ◽

10.1016/j.progsurf.2018.07.002 ◽

2019 ◽

Vol 94 (1) ◽

pp. 21-40 ◽

Cited By ~ 13

Author(s):

Jing-Tao Lü ◽

Bing-Zhong Hu ◽

Per Hedegård ◽

Mads Brandbyge

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Langevin Equation ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Generalized Langevin Equation ◽

Nonequilibrium Molecular Dynamics Simulation

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Effect of temperature on thermal conductivity of silicon germanium square nanowire using nonequilibrium molecular dynamics simulation

10.1063/1.5130248 ◽

2019 ◽

Author(s):

Priyanka P. Jadhav ◽

T. D. Dongale ◽

R. S. Vhatkar

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Silicon Germanium ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Effect Of Temperature ◽

Nonequilibrium Molecular Dynamics Simulation

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Friction and wear reduction via tuning nanoparticle shape under low humidity conditions: A nonequilibrium molecular dynamics simulation

Computational Materials Science ◽

10.1016/j.commatsci.2018.06.043 ◽

2018 ◽

Vol 154 ◽

pp. 499-507 ◽

Cited By ~ 5

Author(s):

Junqin Shi ◽

Liang Fang ◽

Kun Sun

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Friction And Wear ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Nanoparticle Shape ◽

Low Humidity ◽

Wear Reduction ◽

Nonequilibrium Molecular Dynamics Simulation

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A NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION ON THE CONDENSATION RATE OF ARGON

10.1615/tfec2018.fmp.024312 ◽

2018 ◽

Author(s):

T. B. Wang ◽

Y. S. Zhou ◽

Min Chen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Condensation Rate ◽

Nonequilibrium Molecular Dynamics Simulation

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Exploration of bulk and interface behavior of gas molecules and 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid using equilibrium and nonequilibrium molecular dynamics simulation and quantum chemical calculation

Physical Chemistry Chemical Physics ◽

10.1039/c7cp07714a ◽

2018 ◽

Vol 20 (15) ◽

pp. 10121-10131 ◽

Cited By ~ 1

Author(s):

Quan Yang ◽

Luke E. K. Achenie

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Quantum Chemical ◽

Md Simulation ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Chemical Calculation ◽

Interface Behavior ◽

Gas Molecules ◽

Nonequilibrium Molecular Dynamics Simulation

In-depth exploration of bulk and interface behavior of penetrants and ILs via MD simulation and QC calculation.

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nonequilibrium molecular dynamics simulation
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Molecular Mechanism of Ultrasound-Induced Structural Defects in Liposomes: A Nonequilibrium Molecular Dynamics Simulation Study

Improving water desalination via inhomogeneous distribution of [BMIM][BF4] in 2D carbon nanotube networks: Nonequilibrium molecular dynamics simulation

Rheological and Structural Properties of Associated Polymer Networks Studied via Nonequilibrium Molecular Dynamics Simulation

Understanding lithium transport in SEI films: a nonequilibrium molecular dynamics simulation

Nonequilibrium Molecular Dynamics Simulation of Diatomic Ions in Supercritical Gases in an Electrostatic Field

Semi-classical generalized Langevin equation for equilibrium and nonequilibrium molecular dynamics simulation

Effect of temperature on thermal conductivity of silicon germanium square nanowire using nonequilibrium molecular dynamics simulation

Friction and wear reduction via tuning nanoparticle shape under low humidity conditions: A nonequilibrium molecular dynamics simulation

A NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION ON THE CONDENSATION RATE OF ARGON

Exploration of bulk and interface behavior of gas molecules and 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid using equilibrium and nonequilibrium molecular dynamics simulation and quantum chemical calculation

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nonequilibrium molecular dynamics simulationRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Molecular Mechanism of Ultrasound-Induced Structural Defects in Liposomes: A Nonequilibrium Molecular Dynamics Simulation Study

Improving water desalination via inhomogeneous distribution of [BMIM][BF4] in 2D carbon nanotube networks: Nonequilibrium molecular dynamics simulation

Rheological and Structural Properties of Associated Polymer Networks Studied via Nonequilibrium Molecular Dynamics Simulation

Understanding lithium transport in SEI films: a nonequilibrium molecular dynamics simulation

Nonequilibrium Molecular Dynamics Simulation of Diatomic Ions in Supercritical Gases in an Electrostatic Field

Semi-classical generalized Langevin equation for equilibrium and nonequilibrium molecular dynamics simulation

Effect of temperature on thermal conductivity of silicon germanium square nanowire using nonequilibrium molecular dynamics simulation

Friction and wear reduction via tuning nanoparticle shape under low humidity conditions: A nonequilibrium molecular dynamics simulation

A NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION ON THE CONDENSATION RATE OF ARGON

Exploration of bulk and interface behavior of gas molecules and 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid using equilibrium and nonequilibrium molecular dynamics simulation and quantum chemical calculation

nonequilibrium molecular dynamics simulation
Recently Published Documents