Atomic Structure of Cu49Hf42Al9 Metallic Glass with High Glass-Forming Ability and Plasticity

doi:10.1007/s40195-019-00907-1

Acta Metallurgica Sinica (English Letters) ›› 2019, Vol. 32 ›› Issue (7): 803-807.DOI: 10.1007/s40195-019-00907-1

收稿日期:2018-01-30 修回日期:2018-03-21 接受日期:2019-04-26 出版日期:2019-04-26 发布日期:2019-06-20

Atomic Structure of Cu49Hf42Al9 Metallic Glass with High Glass-Forming Ability and Plasticity

Kai Li^1,^2,³, Yu-Jen Chou⁴, Fang-Liang Gao^1,^2,³(), Guo-Qiang Li^1,^2,³()

1. State Key Laboratory of Luminescent Materials and Devices, South China University of Technology, Guangzhou 510640, China
2. Engineering Research Center on Solid-State Lighting and Its Informationisation of Guangdong Province, South China University of Technology, Guangzhou 510640, China
3 . Department of Electronic Materials, School of Materials Science and Engineering, South China University of Technology, Guangzhou 510640, China
4 . Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, UK

Received:2018-01-30 Revised:2018-03-21 Accepted:2019-04-26 Online:2019-04-26 Published:2019-06-20

摘要/Abstract

关键词: Metallic glass, Radial distribution function, Electron diffraction, Density functional theory, Atomic structure

Abstract:

Electron diffraction was used to study the local atomic structure of Cu₄₉Hf₄₂Al₉ metallic glasses (MGs). The amorphous nature of the MG was fully retained after the compression test. The partial radial distribution functions (PRDFs) of the MG structure obtained from the atomic model using reverse Monte Carlo and density functional theory optimization display that the peaks of the first nearest-neighbour distances for Cu-Cu, Hf-Cu and Hf-Hf atomic pairs were located at 2.56 ?, 2.78 ? and 3.23 ?, respectively. The wide distribution of PRDF for Hf-Hf atomic pair explained the high plasticity of the material.

Key words: Metallic glass, Radial distribution function, Electron diffraction, Density functional theory, Atomic structure

. [J]. Acta Metallurgica Sinica (English Letters), 2019, 32(7): 803-807.

Kai Li, Yu-Jen Chou, Fang-Liang Gao, Guo-Qiang Li. Atomic Structure of Cu49Hf42Al9 Metallic Glass with High Glass-Forming Ability and Plasticity[J]. Acta Metallurgica Sinica (English Letters), 2019, 32(7): 803-807.

图/表 5

Fig. 1 Uniaxial compressive stress-strain curve of Cu49Hf42Al9 MG. The inset is an optical micrograph of Cu49Hf42Al9 MG after the compression test, showing multiple shear bands

Fig. 2 A typical HRTEM image from the matrix of plastically deformed Cu49Hf42Al9 MG. No crystalline structure is detected. The inset is the SAED pattern collected from this local area

Fig. 3 aI(q) from the matrix of plastically deformed Cu49Hf42Al9 MG, I(q)_fitted from independently scattering atoms of the same material, b reduced intensity φ(q), c RDF at the examined position in Cu49Hf42Al9 MG

Fig. 4 a RDF curves obtained from simulation after DFT and experiment, b PRDFs obtained from the DFT-optimized structure

Fig. 5 Comparison of the HRTEM and RDF of the matrix and those of the shear band

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Atomic Structure of Cu49Hf42Al9 Metallic Glass with High Glass-Forming Ability and Plasticity

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