Atomistic study on medium-range order structures in amorphous metals

被引:0
|
作者
Wakeda, Masato [1 ]
Shibutani, Yoji [2 ]
Ogata, Shigenobu [1 ,3 ]
机构
[1] Graduate School of Engineering Science, Osaka Univ., Machikaneyama, Toyonaka,560-8531, Japan
[2] Graduate School of Engineering, Osaka Univ., Yamadaoka, Suita,565-0871, Japan
[3] Center for Element Strategy Institute for Structural Materials, Kyoto Univ., Yoshida Honmachi, Sakyo-ku, Kyoto,606-8501, Japan
关键词
Amorphous metals - Crystalline structure - Density correlation functions - Glass transition temperature Tg - Icosahedral configuration - Interatomic potential - Medium range order - Molecular dynamics methods;
D O I
10.2472/jsms.64.156
中图分类号
学科分类号
摘要
Amorphous metals have excellent properties, such as large elastic elongation, high fracture toughness and high corrosion resistance. These properties may arise from their disordered atomic structures, which are totally different from the crystalline structures with long-range periodic order. However, detailed structure of amorphous metals is still a controversial issue, because the experimental diffraction methods have a difficulty to reveal detailed structural features of amorphous metals. Using molecular dynamics methods with binary Lennard-Jones Cu-Zr interatomic potentials, we in this study investigated topological feature of amorphous metals focusing on a medium-range order (MRO). We conducted melt-quenching simulations and constructed amorphous alloy models with three different Cu concentrations. MRO clustering of icosahedra structures which consist of interpenetrating icosahedra links were found in a constructed amorphous structure. In the amorphous model, there are many small and a few large MRO clusters, and the number of MRO clusters monotonically decreases with increasing its size. During the melt-quenching process, the size of MRO cluster rapidly increases with increasing the number of icosahedra at around the glass transition temperature Tg. It is implied that the rapid increase of the size of MRO cluster is caused by a clustering between MRO clusters as well as a growth of each MRO cluster. An amorphous model with more icosahedral clusters tends to have larger, denser and more MRO clusters, and a maximum size of the icosahedral MRO cluster is ∼4nm. Based on both the radius of gyration and the density correlation function analyses, we found that the size of icosahedral MRO cluster has fractal feature, of which fractal dimension are 1.46-1.80. ©2015 The Society of Materials Science.
引用
收藏
页码:156 / 162
相关论文
共 50 条
  • [21] Hierarchical Short- and Medium-Range Order Structures in Amorphous GexSe1-x for Selectors Applications
    Tavanti, Francesco
    Dianat, Behnood
    Catellani, Alessandra
    Calzolari, Arrigo
    ACS APPLIED ELECTRONIC MATERIALS, 2020, 2 (09) : 2961 - 2969
  • [22] MEDIUM-RANGE ORDER IN THE SCIENTIFIC COURT
    PHILLIPS, JC
    PHYSICS TODAY, 1989, 42 (06) : 115 - 115
  • [23] Medium-range order and crystallization in amorphous Al-Ni-Pr alloys
    Zhou, JK
    Bian, XF
    Wang, WM
    Xue, XY
    Wang, SH
    Zhao, Y
    Yin, KB
    MATERIALS LETTERS, 2004, 58 (20) : 2559 - 2563
  • [24] Medium-range order structure and fragility of superheated melts of amorphous CuHf alloys
    Bian Xiu-Fang
    Sun Bao-An
    Hu Li-Na
    CHINESE PHYSICS LETTERS, 2006, 23 (07) : 1864 - 1867
  • [25] Medium-range order as an intrinsic property of Co-rich amorphous alloys
    FdezGubieda, ML
    GarciaArribas, A
    Orue, I
    Plazaola, F
    Barandiaran, JM
    EUROPHYSICS LETTERS, 1997, 40 (01): : 43 - 48
  • [26] The effect of oxide additions on medium-range order structures in borosilicate glasses
    Parkinson, B. G.
    Holland, D.
    Smith, M. E.
    Howes, A. P.
    Scales, C. R.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (41)
  • [27] Hidden structure in the medium-range order of amorphous zirconia-tantala films
    Mishkin, Alec
    Jiang, Jun
    Zhang, Rui
    Cheng, Hai-Ping
    Prasai, Kiran
    Bassiri, Riccardo
    Fejer, Martin
    PHYSICAL REVIEW B, 2023, 108 (05)
  • [28] SHORT-RANGE AND MEDIUM-RANGE ORDER IN AMORPHOUS RARE-EARTH IRON GARNETS
    GIRNUS, W
    BEUTHIEN, H
    PRIESS, R
    GUNSSER, W
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1986, 54-7 (pt I) : 225 - 226
  • [29] Modeling of medium-range order in glasses
    Pakula, T
    Cervinka, L
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 1998, 232 : 619 - 626
  • [30] Medium-range order and random networks
    Gaskell, PH
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 2001, 293 : 146 - 152