Molecular dynamics study of tilt grain boundary evolution during the growth of beryllium thin films

被引:3
作者
Zhu, Xuegang [1 ]
Cheng, Xinlu [1 ]
机构
[1] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
基金
中国国家自然科学基金;
关键词
Computer simulation; Growth models; Physical vapor deposition processes; Polycrystalline deposition; Beryllium; Ablator material; COPPER DIFFUSION; MICROSTRUCTURE; POTENTIALS; MECHANISMS; STRESS;
D O I
10.1016/j.jcrysgro.2019.125366
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
Beryllium films fabricated by magnetron sputtering deposition unavoidably contain grain boundaries (GBs), which have a substantial effect on the resulting material properties. The growth dynamics and evolution of various tilt GBs were explored using a direct molecular dynamics vapor deposition simulation. The effects of the incident energy, incident angle and substrate temperature on the film morphologies were also considered. The results show that GBs and dislocations were extended to the epitaxial layer during the growth of the beryllium thin films. The types of GBs were maintained and were closely related to the surface topography of the substrate. An increased incident energy and substrate temperature enabled the formation of good-quality beryllium films. However, large incident angles resulted in the formation of defect structures in the interior of the beryllium films. The low-angle GBs were more stable than the high-angle GBs. Large incident energies (above 10 eV) with large incident angles (above 38 degrees) always accompanied increased numbers of reflected atoms. In brief, during the growth of the beryllium thin films, the GBs were extended to the epitaxial layer, and the types of GBs were maintained. In addition, incident energies about 5 eV with incident angles less than 30 degrees are desired to form improved Be films.
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页数:11
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共 35 条
  • [1] Bond-order potential for point and extended defect simulations in tungsten
    Ahlgren, T.
    Heinola, K.
    Juslin, N.
    Kuronen, A.
    [J]. JOURNAL OF APPLIED PHYSICS, 2010, 107 (03)
  • [2] Modeling the metal-semiconductor interaction: Analytical bond-order potential for platinum-carbon
    Albe, K
    Nordlund, K
    Averback, RS
    [J]. PHYSICAL REVIEW B, 2002, 65 (19) : 1951241 - 19512411
  • [3] Empirical potentials for C-Si-H systems with application to C-60 interactions with Si crystal surfaces
    Beardmore, K
    Smith, R
    [J]. PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1996, 74 (06): : 1439 - 1466
  • [4] Interatomic potentials for the Be-C-H system
    Bjorkas, C.
    Juslin, N.
    Timko, H.
    Vortler, K.
    Nordlund, K.
    Henriksson, K.
    Erhart, P.
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2009, 21 (44)
  • [5] Implementing molecular dynamics on hybrid high performance computers - Particle-particle particle-mesh
    Brown, W. Michael
    Kohlmeyer, Axel
    Plimpton, Steven J.
    Tharrington, Arnold N.
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 2012, 183 (03) : 449 - 459
  • [6] Analytical bond order potential for simulations of BeO 1D and 2D nanostructures and plasma-surface interactions
    Byggmastar, J.
    Hodille, E. A.
    Ferro, Y.
    Nordlund, K.
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2018, 30 (13)
  • [7] Molecular Dynamics Study of High Symmetry Planar Defect Evolution during Growth of CdTe/CdS Films
    Chavez, Jose J.
    Zhou, Xiao W.
    Almeida, Sergio F.
    Aguirre, Rodolfo
    Zubia, David
    [J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 122 (01) : 751 - 761
  • [8] Analytic bond-order potential for atomistic simulations of zinc oxide
    Erhart, Paul
    Juslin, Niklas
    Goy, Oliver
    Nordlund, Kai
    Mueller, Ralf
    Albe, Karsten
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2006, 18 (29) : 6585 - 6605
  • [9] DESIGN AND MODELING OF IGNITION TARGETS FOR THE NATIONAL IGNITION FACILITY
    HAAN, SW
    POLLAINE, SM
    LINDL, JD
    SUTER, LJ
    BERGER, RL
    POWERS, LV
    ALLEY, WE
    AMENDT, PA
    FUTTERMAN, JA
    LEVEDAHL, WK
    ROSEN, MD
    ROWLEY, DP
    SACKS, RA
    SHESTAKOV, AI
    STROBEL, GL
    TABAK, M
    WEBER, SV
    ZIMMERMAN, GB
    KRAUSER, WJ
    WILSON, DC
    COGGESHALL, SV
    HARRIS, DB
    HOFFMAN, NM
    WILDE, BH
    [J]. PHYSICS OF PLASMAS, 1995, 2 (06) : 2480 - 2487
  • [10] Incidence energy effect and impact assessment during homoepitaxial growth of nickel on (001), (111) and (110) surfaces
    Hassani, A.
    Makan, A.
    Sbiaai, K.
    Tabyaoui, A.
    Hasnaoui, A.
    [J]. THIN SOLID FILMS, 2017, 640 : 123 - 133