Structural properties of diamond nanorods: molecular-dynamics simulations

被引：10
|
作者：
Malcioglu, OB [1 ]
Malcioglu, OB [1 ]
机构：
[1] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey
来源：
INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 2003年 / 14卷 / 04期
关键词：
diamond nanorod; molecular-dynamics; empirical potential;
D O I：
10.1142/S0129183103004644
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
The structural properties of carbon nanorods obtained from diamond crystal have been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. Diamond nanorods have been generated from three low-index planes of diamond crystal. It has been found that the average coordination number, cross-section geometry, and surface orientation from which the nanorod is generated play a role in the stability of diamond nanorods under heat treatment. The most stable diamond nanorod has been obtained from the (111) surface.
引用
收藏
页码：441 / 447
页数：7
相关论文
共 50 条
  • [31] Molecular-dynamics simulations of thermal transport in carbon nanotubes with structural defects
    Yamamoto, Naoaki Kondo Takahiro
    Watanabe, Kazuyuki
    [J]. E-JOURNAL OF SURFACE SCIENCE AND NANOTECHNOLOGY, 2006, 4 : 239 - 243
  • [32] MOLECULAR-DYNAMICS SIMULATIONS OF THE CONFORMATIONAL DYNAMICS OF TRYPTOPHAN
    GORDON, HL
    JARRELL, HC
    SZABO, AG
    WILLIS, KJ
    SOMORJAI, RL
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (04): : 1915 - 1921
  • [33] MOLECULAR-DYNAMICS SIMULATIONS OF ATOMIC PROCESSES AT THE LOW-TEMPERATURE DIAMOND (111) SURFACE
    PAILTHORPE, BA
    [J]. JOURNAL OF APPLIED PHYSICS, 1991, 70 (02) : 543 - 547
  • [34] Structural properties of a calcium aluminosilicate glass from molecular-dynamics simulations: A finite size effects study
    Ganster, P
    Benoit, M
    Kob, W
    Delaye, JM
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (21): : 10172 - 10181
  • [35] MOLECULAR-DYNAMICS SIMULATIONS OF CARBOHYDRATES AND THEIR SOLVATION
    MADSEN, LJ
    HA, SN
    TRAN, VH
    BRADY, JW
    [J]. ACS SYMPOSIUM SERIES, 1990, 430 : 69 - 90
  • [36] Molecular-dynamics simulations of gold clusters
    Bastug, T
    Hirata, M
    Varga, S
    Fricke, B
    Erkoç, S
    Mukoyama, T
    [J]. ADVANCES IN QUANTUM CHEMISTRY, VOL 37: DV-X (ALPHA) FOR ATOMIC SPECTROSCOPY AND MATERIALS SCIENCE, 2001, 37 : 353 - 364
  • [37] MOLECULAR-DYNAMICS SIMULATIONS OF THE DPDPE PEPTIDE
    WANG, Y
    KUCZERA, K
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 210 : 58 - COMP
  • [38] Structural and electronic properties of liquid Ge-Sn alloys:: Ab initio molecular-dynamics simulations
    Goto, R
    Shimojo, F
    Munejiri, S
    Hoshino, K
    [J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2004, 73 (10) : 2746 - 2752
  • [39] MOLECULAR-DYNAMICS SIMULATIONS OF AMORPHOUS SI
    DRABOLD, DA
    FEDDERS, PA
    SANKEY, OF
    DOW, JD
    [J]. PHYSICAL REVIEW B, 1990, 42 (08): : 5135 - 5141
  • [40] MOLECULAR-DYNAMICS SIMULATIONS ON TRANSPUTER NETWORKS
    PAITHANKAR, AT
    TEMBE, BL
    RANDE, DM
    [J]. CURRENT SCIENCE, 1994, 67 (08): : 585 - 590
12345