• Acta Physica Sinica
  • Vol. 69, Issue 11, 116101-1 (2020)
Bian Zhou and Liang Yang*
Author Affiliations
  • College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China
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    DOI: 10.7498/aps.69.20191781 Cite this Article
    Bian Zhou, Liang Yang. Molecular dynamics simulation of effect of cooling rate on the microstructures and deformation behaviors in metallic glasses[J]. Acta Physica Sinica, 2020, 69(11): 116101-1 Copy Citation Text show less
    Structural data of as-constructed models with different cooling rates, including: (a) The normalized structural factor S(Q); (b) the total pair distribution function, G(r).
    Fig. 1. Structural data of as-constructed models with different cooling rates, including: (a) The normalized structural factor S(Q); (b) the total pair distribution function, G(r).
    Compressive stress-strain curves of Zr48Cu45Al7 amorphous alloy models prepared using different cooling rates at the strain rate of 1 × 108 /s.
    Fig. 2. Compressive stress-strain curves of Zr48Cu45Al7 amorphous alloy models prepared using different cooling rates at the strain rate of 1 × 108 /s.
    Distributions of atomic local shear strains of Zr48Cu45Al7 amorphous alloy models at macrostrain of 20% during the compressive deformation, including those prepared with different cooling rates: (a) 1010 K/s; (b) 1011 K/s; (c) 1012 K/s; (d) 1013 K/s.
    Fig. 3. Distributions of atomic local shear strains of Zr48Cu45Al7 amorphous alloy models at macrostrain of 20% during the compressive deformation, including those prepared with different cooling rates: (a) 1010 K/s; (b) 1011 K/s; (c) 1012 K/s; (d) 1013 K/s.
    Distributions of major Voronoi clusters in (a) The as-constructed models of Zr48Cu45Al7 amorphous alloy with different cooling rate (Note only Voronoi clusters possessing a weight larger than 4% are selected), and (b) a liquid model of Zr48Cu45Al7 with a temperature of 2000 K (Note only Voronoi clusters with highest fractions and relatively higher five-fold symmetry are selected).
    Fig. 4. Distributions of major Voronoi clusters in (a) The as-constructed models of Zr48Cu45Al7 amorphous alloy with different cooling rate (Note only Voronoi clusters possessing a weight larger than 4% are selected), and (b) a liquid model of Zr48Cu45Al7 with a temperature of 2000 K (Note only Voronoi clusters with highest fractions and relatively higher five-fold symmetry are selected).
    3 D distributions of LFV atoms in (a) a liquid model at 2000 K, and those as-constructed models prepared by using with cooling rates of (b) 1010 K/s, (c) 1011 K/s, (d) 1012 K/s, and (e) 1013 K/s.
    Fig. 5. 3 D distributions of LFV atoms in (a) a liquid model at 2000 K, and those as-constructed models prepared by using with cooling rates of (b) 1010 K/s, (c) 1011 K/s, (d) 1012 K/s, and (e) 1013 K/s.
    1010 K/s 1011 K/s 1012 K/s 1013 K/s 2000 K
    η/% 70.54770.47370.39970.32063.983
    Table 1. The atomic packing efficiencies, η, in the as-constructed models prepared by using different cooling rates and a liquid model with a temperature of 2000 K.
    1010 K/s 1011 K/s 1012 K/s 1013 K/s 2000 K
    总自由体积/Å11117.0511430.3411758.2412052.5742825.75
    自由体积占比/%3.4403.5323.6283.71512.059
    Table 2. The total free volume and fraction of free volume in the as-constructed models prepared by using different cooling rates and a liquid model with a temperature of 2000 K.
    1010 K/s 1011 K/s 1012 K/s 1013 K/s
    LFV原子数/个317404437485
    Table 3. The number of LFV atoms in the as-constructed models prepared by using different cooling rates.
    Bian Zhou, Liang Yang. Molecular dynamics simulation of effect of cooling rate on the microstructures and deformation behaviors in metallic glasses[J]. Acta Physica Sinica, 2020, 69(11): 116101-1
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