Molecular dynamics, Monte Carlo and their hybrid methods: applications to thin film growth dynamics

被引：2

作者：

Takano, J

Takai, O

Kogure, Y

Doyama, M ^{[1
]}

机构：

[1] Teikyo Univ Sci & Technol, Dept Mat, Yamanashi 4090193, Japan

[2] Nagoya Univ, Dept Mat Proc Engn, Chikusa Ku, Nagoya, Aichi 4648603, Japan

来源：

THIN SOLID FILMS | 1998年 / 334卷 / 1-2期

关键词：

atomic scale dynamics; epitaxial growth; crystal growth process; arbitrary temperature;

D O I：

10.1016/S0040-6090(98)01146-8

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Atomic scale dynamics of thin film growth onto gold (111) and copper (111) surfaces are investigated by means of molecular dynamics (MD) and Monte Carlo (MC) computer simulations. At first, the MD simulation is applied to kink growth, the motion of a ledge adatom to go down the step. Next, the MC simulation is performed to show that a slow growth process forms a dense film and a fast growth process obtains a film which contains many defects. Finally, we combine the results of the MD and the MC simulations which makes it possible to show the figure of crystal growth process based on probability at an arbitrary temperature. (C) 1998 Elsevier Science S.A. All rights reserved.

引用

页码：209 / 213

页数：5

共 50 条

[1] A hybrid off-lattice kinetic Monte Carlo/molecular dynamics method for amorphous thin film growth
Ntioudis, Stavros
Ewen, James P.
Dini, Daniele
Turner, C. Heath
[J]. COMPUTATIONAL MATERIALS SCIENCE, 2023, 229
[2] Molecular dynamics-Monte Carlo hybrid simulation of thin film growth and void formation in electrodeposition process
Hiwatari, Yasuaki
Kaneko, Yutaka
Mikami, Takashi
Ohara, Katsuhiko
Asa, Fujio
[J]. MOLECULAR SIMULATION, 2007, 33 (1-2) : 133 - 138
[3] Hybrid Monte Carlo and molecular dynamics simulation of mixed lipid bilayer systems: Methods and applications
Jiang, Yong
de Joannis, Jason
Khanna, Kunal
Kindt, James T.
[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 233 : 146 - 146
[4] MOLECULAR-DYNAMICS AND MONTE-CARLO METHODS APPLIED TO THE SIMULATION OF THIN-FILMS GROWTH
MAZZONE, AM
[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS C-PHYSICS AND COMPUTERS, 1995, 6 (02): : 211 - 222
[5] Crystal growth study using combination of molecular dynamics and Monte Carlo methods
Masao Doyama
[J]. Bulletin of Materials Science, 1999, 22 : 835 - 842
[6] Crystal growth study using combination of molecular dynamics and Monte Carlo methods
Doyama, M
[J]. BULLETIN OF MATERIALS SCIENCE, 1999, 22 (05) : 835 - 842
[7] Molecular dynamics algorithms for quantum Monte Carlo methods
Miura, Shinichi
[J]. CHEMICAL PHYSICS LETTERS, 2009, 482 (1-3) : 165 - 170
[8] Some comments on Monte Carlo and molecular dynamics methods
Allen, Michael P.
Quigley, David
[J]. MOLECULAR PHYSICS, 2013, 111 (22-23) : 3442 - 3447
[9] Hybrid method for modeling epitaxial growth: Kinetic Monte Carlo plus molecular dynamics
Zoontjens, P.
Schulze, T. P.
Hendy, S. C.
[J]. PHYSICAL REVIEW B, 2007, 76 (24)
[10] Molecular dynamics aided kinetic Monte Carlo simulations of thin film growth of Ag on Mo(110) with structural evolution
Mae, K
[J]. SURFACE SCIENCE, 2001, 482 : 860 - 865

← 1 2 3 4 5 →