Monte Carlo simulation of carbon nanotube nucleation and growth using nonlinear dynamic predictions

被引：12

作者：

Cheng, Changqing ^{[1
]}

Bukkapatnam, Satish T. S. ^{[1
]}

Raff, Lionel M. ^{[1
]}

Hagan, Martin ^{[1
]}

Komanduri, Ranga ^{[1
]}

机构：

[1] Oklahoma State Univ, Sch Ind Engn & Management, Stillwater, OK 74078 USA

来源：

CHEMICAL PHYSICS LETTERS | 2012年 / 530卷

基金：

美国国家科学基金会;

关键词：

CHEMICAL-VAPOR-DEPOSITION;

D O I：

10.1016/j.cplett.2012.01.067

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The computation time for Monte Carlo (MC) simulation of a nanostructure growth process was shown to be reduced by an order of magnitude compared to conventional atomistic and meso-scale models through the prediction of the structure evolution ahead of every growth step. This approach used to grow of one of the longest (similar to 194 nm) reported carbon nanotubes (CNTs) from atomistic simulations. The key to the approach is the finding from simulation experiments that the CNT synthesis process exhibits nonlinear and recurring near-stationary dynamics. (C) 2012 Elsevier B. V. All rights reserved.

引用

页码：81 / 85

页数：5

共 17 条

[1] Prediction of molecular-dynamics simulation results using feedforward neural networks:: Reaction of a C2 dimer with an activated diamond(100) surface -: art. no. 224711 [J].

Agrawal, PM ;

Samadh, ANA ;

Raff, LM ;

Hagan, MT ;

Bukkapatnam, ST ;

Komanduri, R .

JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (22)

[2] Forecasting the evolution of nonlinear and nonstationary systems using recurrence-based local Gaussian process models [J].

Bukkapatnam, Satish T. S. ;

Cheng, Changqing .

PHYSICAL REVIEW E, 2010, 82 (05)

[3]

Dresselhaus M.S., 2001, Carbon Nanotubes: Synthesis, Structure, Properties, and Applications

[4]

Eadie W. T., 1971, Statistical methods in experimental physics

[5] A multiscale approach for modeling the early stage growth of single and multiwall carbon nanotubes produced by a metal-catalyzed synthesis process [J].

Elliott, James A. ;

Hamm, Marc ;

Shibuta, Yasushi .

JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (03)

[6] HELICAL MICROTUBULES OF GRAPHITIC CARBON [J].

IIJIMA, S .

NATURE, 1991, 354 (6348) :56-58

[7] Diameter-controlled growth of carbon nanotubes using thermal chemical vapor deposition [J].

Lee, CJ ;

Lyu, SC ;

Cho, YR ;

Lee, JH ;

Cho, KI .

CHEMICAL PHYSICS LETTERS, 2001, 341 (3-4) :245-249

[8] Temperature effect on the growth of carbon nanotubes using thermal chemical vapor deposition [J].

Lee, CJ ;

Park, J ;

Huh, Y ;

Lee, JY .

CHEMICAL PHYSICS LETTERS, 2001, 343 (1-2) :33-38

[9] Recurrence plots for the analysis of complex systems [J].

Marwan, Norbert ;

Romano, M. Carmen ;

Thiel, Marco ;

Kurths, Juergen .

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 2007, 438 (5-6) :237-329

[10]

Nidadavolu A. G. R., 2005, THESIS OKLAHOMA STAT

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