Controlling the Nucleation and Growth Orientation of Nanocrystalline Carbon Films during Plasma-Assisted Deposition: A Reactive Molecular Dynamics/Monte Carlo Study

Di Zhang; Linfa Peng; Xiaobo Li; Peiyun Yi; Xinmin Lai

doi:10.1021/jacs.9b12845

Controlling the Nucleation and Growth Orientation of Nanocrystalline Carbon Films during Plasma-Assisted Deposition: A Reactive Molecular Dynamics/Monte Carlo Study

Journal of the American Chemical Society ◽

10.1021/jacs.9b12845 ◽

2020 ◽

Vol 142 (5) ◽

pp. 2617-2627

Author(s):

Di Zhang ◽

Linfa Peng ◽

Xiaobo Li ◽

Peiyun Yi ◽

Xinmin Lai

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Monte Carlo Study ◽

Nucleation And Growth ◽

Carbon Films ◽

Growth Orientation ◽

Reactive Molecular Dynamics

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Changing Chirality during Single-Walled Carbon Nanotube Growth: A Reactive Molecular Dynamics/Monte Carlo Study

Journal of the American Chemical Society ◽

10.1021/ja204023c ◽

2011 ◽

Vol 133 (43) ◽

pp. 17225-17231 ◽

Cited By ~ 108

Author(s):

Erik C. Neyts ◽

Adri C. T. van Duin ◽

Annemie Bogaerts

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Carbon Nanotube ◽

Monte Carlo Study ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Reactive Molecular Dynamics ◽

Carbon Nanotube Growth ◽

Nanotube Growth

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Atomistic Adsorption of Oxygen and Hydrogen on Platinum Catalysts by Hybrid Grand Canonical Monte Carlo/Reactive Molecular Dynamics

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b01064 ◽

2016 ◽

Vol 120 (18) ◽

pp. 9780-9793 ◽

Cited By ~ 14

Author(s):

Lili Gai ◽

Yun Kyung Shin ◽

Muralikrishna Raju ◽

Adri C. T. van Duin ◽

Sumathy Raman

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Platinum Catalysts ◽

Grand Canonical Monte Carlo ◽

Reactive Molecular Dynamics ◽

Grand Canonical

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Charge carrier interactions in ionic conductors: A classical molecular-dynamics and Monte Carlo study on AgI

The Journal of Chemical Physics ◽

10.1063/1.481205 ◽

2000 ◽

Vol 112 (14) ◽

pp. 6416-6423 ◽

Cited By ~ 19

Author(s):

F. Zimmer ◽

P. Ballone ◽

J. Maier ◽

M. Parrinello

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Charge Carrier ◽

Monte Carlo Study ◽

Ionic Conductors ◽

Classical Molecular Dynamics

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Comparative molecular dynamics and Monte Carlo study of statistical properties for coarse-grained heteropolymers

Journal of Computational Chemistry ◽

10.1002/jcc.21003 ◽

2008 ◽

Vol 29 (15) ◽

pp. 2603-2612 ◽

Cited By ~ 8

Author(s):

Jakob Schluttig ◽

Michael Bachmann ◽

Wolfhard Janke

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Monte Carlo Study ◽

Statistical Properties ◽

Coarse Grained

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Role of unsaturated hydrocarbon lubricant on the friction behavior of amorphous carbon films from reactive molecular dynamics study

Computational Materials Science ◽

10.1016/j.commatsci.2019.01.032 ◽

2019 ◽

Vol 161 ◽

pp. 1-9 ◽

Cited By ~ 3

Author(s):

Xiaowei Li ◽

Aiying Wang ◽

Kwang-Ryeol Lee

Keyword(s):

Molecular Dynamics ◽

Amorphous Carbon ◽

Carbon Films ◽

Unsaturated Hydrocarbon ◽

Friction Behavior ◽

Amorphous Carbon Films ◽

Reactive Molecular Dynamics

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ChemInform Abstract: A MOLECULAR DYNAMICS AND MONTE CARLO STUDY OF SOLVENT EFFECTS ON THE CONFORMATIONAL EQUILIBRIUM OF N-BUTANE IN CARBON TETRACHLORIDE

Chemischer Informationsdienst ◽

10.1002/chin.197936094 ◽

1979 ◽

Vol 10 (36) ◽

Author(s):

D. W. REBERTUS ◽

B. J. BERNE ◽

D. CHANDLER

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Carbon Tetrachloride ◽

Solvent Effects ◽

Conformational Equilibrium ◽

Monte Carlo Study

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Coupled molecular-dynamics Monte Carlo study of the transport properties of lateral surface superlattices

Physical Review B ◽

10.1103/physrevb.47.6416 ◽

1993 ◽

Vol 47 (11) ◽

pp. 6416-6426 ◽

Cited By ~ 7

Author(s):

Toshishige Yamada ◽

D. K. Ferry

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Transport Properties ◽

Lateral Surface ◽

Monte Carlo Study

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Molecular dynamics and object kinetic Monte Carlo study of radiation-induced motion of voids and He bubbles in bcc iron

Physical Review B ◽

10.1103/physrevb.87.104106 ◽

2013 ◽

Vol 87 (10) ◽

Cited By ~ 10

Author(s):

G. J. Galloway ◽

G. J. Ackland

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Kinetic Monte Carlo ◽

Monte Carlo Study ◽

Bcc Iron ◽

Object Kinetic Monte Carlo ◽

Induced Motion ◽

Radiation Induced

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Molecular dynamics simulation and Monte Carlo study of transport and structural properties of PEBA 1657 and 2533 membranes modified by functionalized POSS-PEG material

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.06.073 ◽

2017 ◽

Vol 241 ◽

pp. 646-653 ◽

Cited By ~ 7

Author(s):

Mahdieh Pazirofteh ◽

Mostafa Dehghani ◽

Saber Niazi ◽

Amir H. Mohammadi ◽

Morteza Asghari

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Structural Properties ◽

Monte Carlo Study ◽

Dynamics Simulation

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Response to comment on the paper “molecular dynamics simulation and Monte Carlo study of transport and structural properties of PEBA 1657 and 2533 membranes modified by functionalized POSS-PEG material”

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.111788 ◽

2019 ◽

Vol 296 ◽

pp. 111788

Author(s):

Mahdieh Pazirofteh ◽

Mostafa Dehghani ◽

Saber Niazi ◽

Amir H. Mohammadi ◽

Morteza Asghari

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Structural Properties ◽

Monte Carlo Study ◽

Dynamics Simulation

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