Embedded-atom Potential for Oxygen

被引:0
|
作者
Yifang OUYANG and Hongmei CHENG Department of Physics
机构
关键词
EAM; Embedded-atom Potential for Oxygen;
D O I
暂无
中图分类号
O613 [非金属元素及其化合物];
学科分类号
070301 ; 081704 ;
摘要
The analytic embedded-atom potential for oxygen is developed from the experimental data and the results of the first-principle. The potential is used to predict the geometries and energies of O3, fcc. bcc, sc and diamond. The predictions are in good agreement with experimental data available and other theoretical results.
引用
收藏
页码:460 / 462
页数:3
相关论文
共 50 条
  • [1] Embedded-atom potential for oxygen
    Ouyang, YF
    Cheng, HM
    Jin, ZP
    [J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2001, 17 (04) : 460 - 462
  • [2] Embedded-atom potential for hcp and fcc cobalt
    Pun, G. P. Purja
    Mishin, Y.
    [J]. PHYSICAL REVIEW B, 2012, 86 (13)
  • [3] Modified embedded-atom method potential for cadmium
    Zacate, M. O.
    [J]. HYPERFINE INTERACTIONS, 2019, 240 (01):
  • [4] Modified embedded-atom method potential for cadmium
    M. O. Zacate
    [J]. Hyperfine Interactions, 2019, 240
  • [5] Embedded-atom method interatomic potential for boron nanostructures
    V. E. Zalizniak
    O. A. Zolotov
    [J]. Journal of Molecular Modeling, 2019, 25
  • [6] A modified embedded-atom method interatomic potential for germanium
    Kim, Eun Ha
    Shin, Young-Han
    Lee, Byeong-Joo
    [J]. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2008, 32 (01): : 34 - 42
  • [7] Embedded-atom method interatomic potential for boron nanostructures
    Zalizniak, V. E.
    Zolotov, O. A.
    [J]. JOURNAL OF MOLECULAR MODELING, 2019, 25 (06)
  • [8] A modified embedded-atom method interatomic potential for bismuth
    Zhou, Henan
    Dickel, Doyl E.
    Baskes, Michael, I
    Mun, Sungkwang
    Zaeem, Mohsen Asle
    [J]. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021, 29 (06)
  • [9] DEVELOPMENT OF AN EMBEDDED-ATOM POTENTIAL FOR A BCC METAL - VANADIUM
    ADAMS, JB
    FOILES, SM
    [J]. PHYSICAL REVIEW B, 1990, 41 (06) : 3316 - 3328
  • [10] A NEW EMBEDDED-ATOM POTENTIAL FOR METALS AND ITS APPLICATIONS
    NIE, XL
    ZHONG, LP
    WANG, RH
    YE, YY
    ZHANG, WQ
    ZHOU, YM
    WANG, DS
    [J]. SOLID STATE COMMUNICATIONS, 1995, 94 (05) : 359 - 362