Displacement cascades in Gd2Ti2O7 and Gd2Zr2O7:: a molecular dynamics study

被引：60
|
作者：
Purton, JA
Allan, NL
机构：
[1] SERC, Daresbury Lab, CLRC, Warrington WA4 4AD, Cheshire, England
[2] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England
来源：
JOURNAL OF MATERIALS CHEMISTRY | 2002年 / 12卷 / 10期
关键词：
D O I：
10.1039/b201111p
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We report molecular dynamics simulations of the production of radiation cascades in two pyrochlore compounds that have been proposed as possible materials for high level radioactive waste storage. There are clear differences between the two systems that support the results of recent high energy ion bombardment experiments, in which pyrochlores were increasingly radiation resistant with increasing Zr content.
引用
收藏
页码：2923 / 2926
页数：4
相关论文
共 50 条
  • [1] Molecular dynamics study of self-radiation damage in Gd2Zr2O7 and Gd2Ti2O7 pyrochlores
    V. S. Urusov
    A. E. Grechanovsky
    N. N. Eremin
    [J]. Doklady Physics, 2014, 59 : 263 - 266
  • [2] Molecular dynamics study of self-radiation damage in Gd2Zr2O7 and Gd2Ti2O7 pyrochlores
    Urusov, V. S.
    Grechanovsky, A. E.
    Eremin, N. N.
    [J]. DOKLADY PHYSICS, 2014, 59 (06) : 263 - 266
  • [3] Pressure induced structural transformation in Gd2Ti2O7 and Gd2Zr2O7
    Xiao, H. Y.
    Weber, W. J.
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2011, 23 (03)
  • [4] Ab initio molecular dynamics simulations of ion-solid interactions in Gd2Zr2O7 and Gd2Ti2O7
    Wang, X. J.
    Xiao, H. Y.
    Zu, X. T.
    Zhang, Y.
    Weber, W. J.
    [J]. JOURNAL OF MATERIALS CHEMISTRY C, 2013, 1 (08) : 1665 - 1673
  • [5] Ion irradiation effects for two pyrochlore compositions:: Gd2Ti2O7 and Gd2Zr2O7
    Wang, SX
    Wang, LM
    Ewing, RC
    Kutty, KVG
    [J]. MICROSTRUCTURAL PROCESSES IN IRRADIATED MATERIALS, 1999, 540 : 355 - 360
  • [6] Energetics and concentration of defects in Gd2Ti2O7 and Gd2Zr2O7 pyrochlore at high pressure
    Wang, Jianwei
    Zhang, Fuxiang
    Lian, Jie
    Ewing, Rodney C.
    Becker, Udo
    [J]. ACTA MATERIALIA, 2011, 59 (04) : 1607 - 1618
  • [7] Ion irradiation effects for two pyrochlore compositions: Gd2Ti2O7 and Gd2Zr2O7
    Wang, S.X.
    Wang, L.M.
    Ewing, R.C.
    Govindan Kutty, K.V.
    [J]. Materials Research Society Symposium - Proceedings, 1999, 540 : 355 - 360
  • [8] Phase stability and pressure dependence of defect formation in Gd2Ti2O7 and Gd2Zr2O7 pyrochlores
    Zhang, F. X.
    Wang, J. W.
    Lian, J.
    Lang, M. K.
    Becker, U.
    Ewing, R. C.
    [J]. PHYSICAL REVIEW LETTERS, 2008, 100 (04)
  • [9] Novel potentials for modelling defect formation and oxygen vacancy migration in Gd2Ti2O7 and Gd2Zr2O7 pyrochlores
    Gunn, David S. D.
    Allan, Neil L.
    Foxhall, Henry
    Harding, John H.
    Purton, John A.
    Smith, W.
    Stein, Michael J.
    Todorov, Ilian T.
    Travis, Karl P.
    [J]. JOURNAL OF MATERIALS CHEMISTRY, 2012, 22 (11) : 4675 - 4680
  • [10] The irradiation effects of Gd2Hf2O7 and Gd2Ti2O7
    Li, Y. H.
    Wen, J.
    Wang, Y. Q.
    Wang, Z. G.
    Tang, M.
    Valdez, J. A.
    Sickafus, K. E.
    [J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2012, 287 : 130 - 134
12345