Molecular Dynamics Studies of Radiation Damage in Yttria

被引:1
|
作者
Dholakia, Manan [1 ]
Kaur, Gurpreet [1 ]
Valsakumar, M. C. [1 ]
机构
[1] Indira Gandhi Ctr Atom Res, Div Mat Phys, Kalpakkam 603102, Tamil Nadu, India
来源
SOLID STATE PHYSICS, VOL 57 | 2013年 / 1512卷
关键词
Radiation Damage; Oxide Dispersed Steels (ODS); Yttria; Molecular Dynamics;
D O I
10.1063/1.4791524
中图分类号
O59 [应用物理学];
学科分类号
摘要
The effect of radiation damage on a Y2O3 matrix has been studied using molecular dynamics simulations. An extensive data set corresponding to 253 crystallographic directions in the crystal has been generated so as to get statistically significant results. We looked into the defect morphology and the temperature properties of the system under radiation cascade. Studies were carried out comparing the effect of two different species of primary knock-on atoms (PKAs). The present studies show that Oxygen PKA and Yttrium PKA generate different number of defects.
引用
收藏
页码:1288 / 1289
页数:2
相关论文
共 50 条
  • [31] Use of massively parallel molecular dynamics simulations for radiation damage in pyrochlores
    Ilian T. Todorov
    Neil L. Allan
    J. A. Purton
    Martin T. Dove
    William Smith
    Journal of Materials Science, 2007, 42 : 1920 - 1930
  • [32] MOLECULAR-DYNAMICS SIMULATION OF DNA WITH A PRIMARY RADIATION-DAMAGE
    MIASKIEWICZ, K
    OSMAN, R
    RADIATION PROTECTION DOSIMETRY, 1994, 52 (1-4) : 149 - 153
  • [33] MOLECULAR-DYNAMICS STUDIES OF YTTRIA STABILIZED ZIRCONIA .1. STRUCTURE AND OXYGEN DIFFUSION
    SHIMOJO, F
    OKABE, T
    TACHIBANA, F
    KOBAYASHI, M
    OKAZAKI, H
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1992, 61 (08) : 2848 - 2857
  • [34] Cation diffusion in yttria-zirconia by molecular dynamics
    Gonzalez-Romero, R. L.
    Melendez, J. J.
    Gomez-Garcia, D.
    Cumbrera, F. L.
    Dominguez-Rodriguez, A.
    Wakai, F.
    SOLID STATE IONICS, 2011, 204 : 1 - 6
  • [35] Molecular dynamics simulations of yttria-stabilized zirconia
    Brinkman, HW
    Briels, WJ
    Verweij, H
    CHEMICAL PHYSICS LETTERS, 1995, 247 (4-6) : 386 - 390
  • [36] Photoemission and Coincidence Studies of Molecular Dynamics Using Synchrotron Radiation
    Ueda, Kiyoshi
    JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 2009, 54 (01) : 365 - 370
  • [37] Simulating radiation damage in a bcc Fe system with embedded yttria nanoparticles
    Lazauskas, Tomas
    Kenny, Steven D.
    Smith, Roger
    Nagra, Gurpreet
    Dholakia, Manan
    Valsakumar, M. C.
    JOURNAL OF NUCLEAR MATERIALS, 2013, 437 (1-3) : 317 - 325
  • [38] Characterization of radiation damage in TiO2 using molecular dynamics simulations
    Cowen, Benjamin J.
    El-Genk, Mohamed S.
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2018, 26 (08)
  • [39] MOLECULAR-DYNAMICS STUDIES OF YTTRIA STABILIZED ZIRCONIA .2. MICROSCOPIC MECHANISM OF OXYGEN DIFFUSION
    SHIMOJO, F
    OKAZAKI, H
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1992, 61 (11) : 4106 - 4118
  • [40] How good is damped molecular dynamics as a method to simulate radiation damage in metals?
    le Page, J.
    Mason, D. R.
    Race, C. P.
    Foulkes, W. M. C.
    NEW JOURNAL OF PHYSICS, 2009, 11