Comparison of carbon deposition on tungsten between molecular dynamics and dynamic Monte Carlo simulation

被引:14
|
作者
Inai, Kensuke [1 ]
Kikuhara, Y. [1 ]
Ohya, Kam [2 ]
机构
[1] Univ Tokushima, Grad Sch Adv Technol & Sci, Tokushima 7708506, Japan
[2] Univ Tokushima, Inst Sci & Technol, Tokushima 7708506, Japan
来源
SURFACE & COATINGS TECHNOLOGY | 2008年 / 202卷 / 22-23期
基金
日本学术振兴会;
关键词
Molecular dynamics simulation; Dynamic Monte Carlo simulation; Ion-solid interactions; Tungsten; Carbon;
D O I
10.1016/j.surfcoat.2008.06.016
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
To investigate the low-temperature plasma wall interactions in fusion devices, e.g., ITER, we have developed a molecular dynamics (MD) simulation code. The calculated results are compared with the dynamic Monte Carlo (MC) simulation. The W surface is bombarded with C atoms at the temperature of 10 eV-1keV. During the plasma exposure with low temperature, a thick C layer is formed on the W surface. At high plasma temperature W surface is eroded and the W-C mixed layer is formed. These results are consistent with the calculated ones with the dynamic MC code, EDDY [K. Ohya, Phys. Scr. T124, (2006) 70.]. Inhomogeneous deposition of C is calculated, which indicates that atomic scale roughness is important for the development of C deposition and material mixing. (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码:5374 / 5378
页数:5
相关论文
共 50 条
  • [21] Monte Carlo simulation of polydisperse particle deposition and coagulation dynamics in enclosed chambers
    Liu, Hongmei
    Jiang, Wei
    Liu, Wenming
    Liu, Xuedong
    Liu, Shuyuan
    Chan, Tat Leung
    VACUUM, 2021, 184
  • [22] FORCE BIAS MONTE-CARLO SIMULATION OF WATER - METHODOLOGY, OPTIMIZATION AND COMPARISON WITH MOLECULAR-DYNAMICS
    RAO, M
    PANGALI, C
    BERNE, BJ
    MOLECULAR PHYSICS, 1979, 37 (06) : 1773 - 1798
  • [23] Monte Carlo and molecular dynamics simulation of uranyl adsorption on montmorillonite clay
    Zaidan, OF
    Greathouse, JA
    Pabalan, RT
    CLAYS AND CLAY MINERALS, 2003, 51 (04) : 372 - 381
  • [24] Combined molecular dynamics and Monte Carlo simulation of sphingomyelin lipid bilayers
    Scott, HL
    Jakobsson, E
    Mashl, RJ
    Chiu, SW
    BIOPHYSICAL JOURNAL, 2001, 80 (01) : 525A - 525A
  • [25] Monte Carlo and Molecular Dynamics Simulation of Uranyl Adsorption on Montmorillonite Clay
    Omar F. Zaidan
    Jeffery A. Greathouse
    Roberto T. Pabalan
    Clays and Clay Minerals, 2003, 51 : 372 - 381
  • [26] The Monte Carlo and molecular dynamics simulation of gas-surface interaction
    Borisov, S
    Sazhin, O
    Gerasimova, O
    COMPUTATIONAL SCIENCE - ICCS 2005, PT 3, 2005, 3516 : 143 - 146
  • [27] Comparison of Different Dynamic Monte Carlo Methods for the Simulation of Olefin Polymerization
    Brandao, Amanda L. T.
    Soares, Joao B. P.
    Pinto, Jose C.
    Alberton, Andre L.
    MACROMOLECULAR SYMPOSIA, 2016, 360 (01) : 160 - 178
  • [28] Molecular dynamics based kinetic Monte Carlo simulation for accelerated diffusion
    Tavenner, Jacob P.
    Mendelev, Mikhail I.
    Lawson, John W.
    COMPUTATIONAL MATERIALS SCIENCE, 2023, 218
  • [29] Sampling efficiency of molecular dynamics and Monte Carlo method in protein simulation
    Yamashita, H
    Endo, S
    Wako, H
    Kidera, A
    CHEMICAL PHYSICS LETTERS, 2001, 342 (3-4) : 382 - 386
  • [30] A rigorous procedure for combining molecular dynamics and Monte Carlo simulation algorithms
    LaBerge, LJ
    Tully, JC
    CHEMICAL PHYSICS, 2000, 260 (1-2) : 183 - 191