Generalized stacking fault energies of alloys

被引:110
|
作者
Li, Wei [1 ]
Lu, Song [1 ]
Hu, Qing-Miao [2 ]
Kwon, Se Kyun [3 ]
Johansson, Boerje [1 ,4 ]
Vitos, Levente [1 ,4 ,5 ]
机构
[1] Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden
[2] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
[3] Pohang Univ Sci & Technol, Grad Inst Ferrous Technol, Pohang 790784, South Korea
[4] Uppsala Univ, Div Mat Theory, Dept Phys & Astron, SE-751210 Uppsala, Sweden
[5] Inst Solid State Phys & Opt, Wigner Res Ctr Phys, H-1525 Budapest, Hungary
基金
匈牙利科学研究基金会; 欧洲研究理事会; 瑞典研究理事会;
关键词
stacking fault energy; random alloy; ab initio; CLOSE-PACKED METALS; MOLECULAR-DYNAMICS; PLASTIC-DEFORMATION; COPPER; TEMPERATURE; DEPENDENCE; MECHANISM; NI;
D O I
10.1088/0953-8984/26/26/265005
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The generalized stacking fault energy (gamma surface) provides fundamental physics for understanding the plastic deformation mechanisms. Using the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation, we calculate the. surface for the disordered Cu-Al, Cu-Zn, Cu-Ga, Cu-Ni, Pd-Ag and Pd-Au alloys. Studying the effect of segregation of the solute to the stacking fault planes shows that only the local chemical composition affects the. surface. The calculated alloying trends are discussed using the electronic band structure of the base and distorted alloys. Based on our. surface results, we demonstrate that the previous revealed 'universal scaling law' between the intrinsic energy barriers (IEBs) is well obeyed in random solid solutions. This greatly simplifies the calculations of the twinning measure parameters or the critical twinning stress. Adopting two twinnability measure parameters derived from the IEBs, we find that in binary Cu alloys, Al, Zn and Ga increase the twinnability, while Ni decreases it. Aluminum and gallium yield similar effects on the twinnability.
引用
收藏
页数:12
相关论文
共 50 条
  • [1] Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys
    Anirudh Raju Natarajan
    Anton Van der Ven
    npj Computational Materials, 6
  • [2] Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys
    Natarajan, Anirudh Raju
    Van der Ven, Anton
    NPJ COMPUTATIONAL MATERIALS, 2020, 6 (01)
  • [3] Generalized stacking fault energies, ductilities, and twinnabilities of Ni and selected Ni alloys
    Siegel, DJ
    APPLIED PHYSICS LETTERS, 2005, 87 (12) : 1 - 3
  • [4] Screening of generalized stacking fault energies, surface energies and intrinsic ductile potency of refractory multicomponent alloys
    Hu, Yong-Jie
    Sundar, Aditya
    Ogata, Shigenobu
    Qi, Liang
    ACTA MATERIALIA, 2021, 210
  • [5] Generalized stacking fault energies and slip in β-tin
    Bhatia, M. A.
    Adlakha, I.
    Lu, G.
    Solanki, K. N.
    SCRIPTA MATERIALIA, 2016, 123 : 21 - 25
  • [6] Generalized Stacking Fault Energies of Aluminum Alloys-Density Functional Theory Calculations
    Muzyk, Marek
    Pakiela, Zbigniew
    Kurzydlowski, Krzysztof J.
    METALS, 2018, 8 (10):
  • [7] Stress-dependence of generalized stacking fault energies
    Andric, Predrag
    Yin, Binglun
    Curtin, W. A.
    JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2019, 122 : 262 - 279
  • [8] The effect of yttrium on the generalized stacking fault energies in Mg
    Pei, Zongrui
    Li, Rui
    COMPUTATIONAL MATERIALS SCIENCE, 2017, 133 : 1 - 5
  • [9] Stacking fault energies in Al-based alloys
    Schulthess, TC
    Turchi, PEA
    Gonis, A
    Nieh, TG
    PROPERTIES OF COMPLEX INORGANIC SOLIDS, 1997, : 383 - 388
  • [10] STACKING-FAULT ENERGIES OF RANDOM METALLIC ALLOYS
    CRAMPIN, S
    VVEDENSKY, DD
    MONNIER, R
    PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1993, 67 (06): : 1447 - 1457