Molecular dynamics simulation of latent track formation in α-quartz

被引:1
作者
Lan Chun-E [1 ]
Xue Jian-Ming [1 ,2 ]
Wang Yu-Gang [1 ,2 ]
Zhang Yan-Wen [3 ,4 ]
机构
[1] Peking Univ, Sch Phys, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China
[2] Peking Univ, Ctr Appl Phys & Technol, Beijing 100871, Peoples R China
[3] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA
[4] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA
关键词
latent ion track; alpha-quartz; coordination defects; molecular dynamics simulation; NONEQUILIBRIUM ENERGY-TRANSPORT; HEAVY-ION IRRADIATION; CYLINDRICAL TRACK; SPIKE; CREATION; METALS; SIO2;
D O I
10.1088/1674-1137/37/3/038201
中图分类号
O57 [原子核物理学、高能物理学];
学科分类号
070202 ;
摘要
The latent ion track in alpha-quartz is studied by molecular dynamics simulations. The latent track is created by depositing electron energies into a cylindrical region with a radius of 3 nm. In this study, the electron stopping power varies from 3.0 keV/nm to 12.0 keV/nm, and a continuous latent track is observed for all the simulated values of electron stopping power except 3.0 keV/nm. The simulation results indicate that the threshold electron stopping power for a continous latent track lies between 3.0 keV/nm and 3.7 keV/nm. In addition, the coordination defects produced in the latent track are analyzed for all the simulation conditions, and the results show that the latent track in alpha-quartz consists of an O-rich amorphous phase and Si-rich point defects. At the end of this paper, the influence of the energy deposition model on the latent track in alpha-quartz is investigated. The results indicate that different energy deposition models reveal similar latent track properties. However, the values of the threshold electron stopping power and the ion track radius are dependent on the choice of energy deposition model.
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页数:7
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共 27 条
  • [1] Molecular dynamics simulation of a swift ion track in NiAl
    Abromeit, C
    Kuznetsov, AR
    [J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2004, 225 (1-2) : 97 - 104
  • [2] MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH
    BERENDSEN, HJC
    POSTMA, JPM
    VANGUNSTEREN, WF
    DINOLA, A
    HAAK, JR
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) : 3684 - 3690
  • [3] Molecular dynamics study of non-equilibrium energy transport from a cylindrical track - I. Test of "spike" models
    Bringa, EM
    Johnson, RE
    [J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 1998, 143 (04) : 513 - 535
  • [4] Molecular dynamics study of non-equilibrium energy transport from a cylindrical track:: Part II -: Spike models for sputtering yield
    Bringa, EM
    Johnson, RE
    Dutkiewicz, L
    [J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 1999, 152 (2-3) : 267 - 290
  • [5] ION EXPLOSION SPIKE MECHANISM FOR FORMATION OF CHARGED-PARTICLE TRACKS IN SOLIDS
    FLEISCHE.RL
    PRICE, PB
    WALKER, RM
    [J]. JOURNAL OF APPLIED PHYSICS, 1965, 36 (11) : 3645 - +
  • [6] VMD: Visual molecular dynamics
    Humphrey, W
    Dalke, A
    Schulten, K
    [J]. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1996, 14 (01) : 33 - 38
  • [7] Fine Structure in Swift Heavy Ion Tracks in Amorphous SiO2
    Kluth, P.
    Schnohr, C. S.
    Pakarinen, O. H.
    Djurabekova, F.
    Sprouster, D. J.
    Giulian, R.
    Ridgway, M. C.
    Byrne, A. P.
    Trautmann, C.
    Cookson, D. J.
    Nordlund, K.
    Toulemonde, M.
    [J]. PHYSICAL REVIEW LETTERS, 2008, 101 (17)
  • [8] DAMAGE CREATION VIA ELECTRONIC EXCITATIONS IN METALLIC TARGETS .2. A THEORETICAL-MODEL
    LESUEUR, D
    DUNLOP, A
    [J]. RADIATION EFFECTS AND DEFECTS IN SOLIDS, 1993, 126 (1-4): : 163 - 172
  • [9] TRACK FORMATION IN SIO2 QUARTZ AND THE THERMAL-SPIKE MECHANISM
    MEFTAH, A
    BRISARD, F
    COSTANTINI, JM
    DOORYHEE, E
    HAGEALI, M
    HERVIEU, M
    STOQUERT, JP
    STUDER, F
    TOULEMONDE, M
    [J]. PHYSICAL REVIEW B, 1994, 49 (18): : 12457 - 12463
  • [10] Atomistic simulation of track formation by energetic recoils in zircon
    Moreira, Pedro A. F. P.
    Devanathan, Ram
    Weber, William J.
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 22 (39)