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
  • [21] MOLECULAR-DYNAMICS SIMULATIONS OF POLYACETYLENE
    SESE, G
    CATLOW, CRA
    VESSAL, B
    [J]. MOLECULAR SIMULATION, 1992, 9 (02) : 99 - 113
  • [22] MOLECULAR-DYNAMICS SIMULATIONS OF AMILORIDE
    BUONO, RA
    VENANZI, CA
    VENANZI, TJ
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1991, 202 : 45 - MEDI
  • [23] MOLECULAR-DYNAMICS SIMULATIONS - PREFACE
    NOSE, S
    [J]. PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT, 1991, (103): : R1 - R1
  • [24] MOLECULAR-DYNAMICS SIMULATIONS OF METHYL-RADICAL DEPOSITION ON DIAMOND (100) SURFACES
    ALFONSO, DR
    ULLOA, SE
    [J]. PHYSICAL REVIEW B, 1993, 48 (16): : 12235 - 12239
  • [25] Structural and thermal properties of Cd-Zn-Te ternary nanoparticles: Molecular-dynamics simulations
    Kurban, Mustafa
    Malcioglu, O. Baris
    Erkoc, Sakir
    [J]. CHEMICAL PHYSICS, 2016, 464 : 40 - 45
  • [26] Molecular-dynamics simulations of structural and thermodynamic properties of ZnTe using a three-body potential
    Kanoun, MB
    Merad, AE
    Aourag, H
    Cibert, J
    Merad, G
    [J]. SOLID STATE SCIENCES, 2003, 5 (09) : 1211 - 1216
  • [27] FRACTURE PROPERTIES OF METALS AND ALLOYS FROM MOLECULAR-DYNAMICS SIMULATIONS
    BECQUART, CS
    KIM, D
    RIFKIN, JA
    CLAPP, PC
    [J]. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 1993, 170 (1-2): : 87 - 94
  • [28] Quasiclassical molecular-dynamics simulations of the electron gas: Dynamic properties
    Ortner, J
    Schautz, F
    Ebeling, W
    [J]. PHYSICAL REVIEW E, 1997, 56 (04): : 4665 - 4670
  • [29] SOME THERMODYNAMIC PROPERTIES OF NIAL CALCULATED BY MOLECULAR-DYNAMICS SIMULATIONS
    CLAPP, PC
    RUBINS, MJ
    CHARPENAY, S
    RIFKIN, JA
    YU, ZZ
    VOTER, AF
    [J]. HIGH-TEMPERATURE ORDERED INTERMETALLIC ALLOYS III, 1989, 133 : 29 - 35
  • [30] PHYSICAL-PROPERTIES OF LIQUID WATER BY MOLECULAR-DYNAMICS SIMULATIONS
    HEYES, DM
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1994, 90 (20): : 3039 - 3049
12345