Multiscale structures of Zr-based binary metallic glasses and the correlation with glass forming ability

Wu, Xuelian; Lan, Si; Wu, Zhong Chao; Wei, Xiaoya; Ren, Yang; Tsang, Ho Yin; Wang, Xun-Li

doi:10.1016/j.pnsc.2017.08.008

Cited by 17 publications

(4 citation statements)

References 40 publications

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“…These advantages offer great potential for applications of MGs [1,2]. Notably, Zr-rich alloys are important MGs due to their strong glass forming ability [3] and outstanding mechanical properties, such as high Young's modulus [4], fracture toughness [5] and elasticity [6]. The superconducting properties of the Zr-Rh system was proposed in 1955, and has subsequently attracted widespread interest [7].…”

Section: Introductionmentioning

confidence: 99%

Bergman-type medium range order in amorphous Zr77Rh23 alloy studied by ab initio molecular dynamics simulations

Guo

Qiao

Wang

et al. 2019

Journal of Alloys and Compounds

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In recent years, some arguments about the existence of medium-range order (MRO) in the Zr-Rh system have been put forward. However, research on the structural features of the Zr-Rh binary alloy at the atomic level is still lacking. This study uses ab initio molecular dynamics simulations to systematically study the local structures of Zr77Rh23 from the liquid to the glassy states. Pair correlation function (PCF), coordination number (CN), Honeycutt-Anderson(HA) index, bond-angle distribution functions, and the Voronoi tessellation method are used to reveal a clear icosahedral-like configuration in the amorphous Zr77Rh23 alloy. It is noteworthy that the splitting in the second peak of the partial PDF implies the existence of a medium range order (MRO) in the Zr77Rh23 system. We obtain the local order in three-dimensional atomic density distributions by using a new atomistic cluster alignment (ACA) method. Interestingly, a Bergman-type MRO is observed in the glassy Zr77Rh23. Furthermore, the spatial distribution and connections of icosahedral-like clusters are shown to further demonstrate the MRO network. Our findings shed light on the nature of atomic local structures of amorphous Zr77Rh23 alloy and have important implications to understanding the formation of various MROs in metallic glasses.

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Section: Introductionmentioning

confidence: 99%

Bergman-type medium range order in amorphous Zr77Rh23 alloy studied by ab initio molecular dynamics simulations

Guo

Qiao

Wang

et al. 2019

Journal of Alloys and Compounds

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“…Based on FPMD cluster arrangements, we simulated FEM spectra (Fig. 7 c) with virtual probe size 55 – 57 . For each glass, simulated FEM patterns (Fig.…”

Section: Resultsmentioning

confidence: 99%

“…In SRO domain, site-resolved average cluster parameters are determined with “X-ray Absorption Fine Structure” (XAFS) 20 – 22 , 43 (or its combination with XRD 44 – 46 ); individual atomic positions are imaged with “Atom Probe Tomography” (3D-APT) 47 – 50 and “Atomic Electron Tomography” (AET) 51 – 53 , atomic arrangement within individual clusters are determined with “Angstrom Beam Electron Diffraction” (ABED) 54 . In MRO domain, conventional diffraction has limited success due to decreased order 55 – 57 . MRO domain size can be determined with “Fluctuation Electron Microscopy” (FEM) 58 , 62 ; individual networks are detected with “Nano Beam Electron Diffraction” (NBED) 63 .…”

Section: Introductionmentioning

confidence: 99%

Comprehensive characterization of the structure of Zr-based metallic glasses

Lahiri,

Krishna,

Verma

et al. 2024

Sci Rep

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Structure of metallic glasses fascinates as the generic amorphous structural template for ubiquitous systems. Its specification necessitates determination of the complete hierarchical structure, starting from short-range-order (SRO) → medium-range-order (MRO) → bulk structure and free volume (FV) distribution. This link has largely remained elusive since previous investigations adopted one-technique-at-a-time approach, focusing on limited aspects of any one domain. Reconstruction of structure from experimental data inversion is non-unique for many of these techniques. As a result, complete and precise structural understanding of glass has not emerged yet. In this work, we demonstrate the first experimental pathway for reconstruction of the integrated structure, for $${\text{Zr}}_{{{67}}} {\text{Ni}}_{{{33}}}$$ Zr 67 Ni 33 and $${\text{Zr}}_{{{52}}} {\text{Ti}}_{{6}} {\text{Al}}_{{{10}}} {\text{Cu}}_{{{18}}} {\text{Ni}}_{{{14}}}$$ Zr 52 Ti 6 Al 10 Cu 18 Ni 14 glasses. Our strategy engages diverse (× 7) multi-scale techniques [XAFS, 3D-APT, ABED/NBED, FEM, XRD, PAS, FHREM] on the same glass. This strategy complemented mutual limitations of techniques and corroborated common parameters to generate complete, self-consistent and precise parameters. Further, MRO domain size and inter-void separation were correlated to identify the presence of FV at MRO boundaries. This enabled the first experimental reconstruction of hierarchical subset: SRO → MRO → FV → bulk structure. The first ever image of intermediate region between MRO domains emerged from this link. We clarify that determination of all subsets is not our objective; the essence and novelty of this work lies in directing the pathway towards finite solution, in the most logical and unambiguous way.

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“…In SRO domain, site-resolved average cluster parameters are determined with "X-ray Absorption Fine Structure" (XAFS) [20][21][22]43 (or its combination with XRD [44][45][46] ); individual atomic positions are imaged with "Atom Probe Tomography" (3D-APT) 47-50 and "Atomic Electron Tomography" (AET) [51][52][53] , atomic arrangement within individual clusters are determined with "Angstrom Beam Electron Diffraction" (ABED) 54 . In MRO domain, conventional diffraction has limited success due to decreased order [55][56][57] . MRO domain size can be determined with "Fluctuation Electron Microscopy" (FEM) [58][59][60][61][62] ; individual networks are detected with "Nano Beam Electron Diffraction" (NBED) 63 .…”

mentioning

confidence: 99%

Comprehensive Characterization of the structure of Zr-based metallic glasses

Lahiri,

Krishna,

Verma

et al. 2023

Preprint

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Structure of metallic glasses fascinates as the generic amorphous structural template for ubiquitous systems. Its specification necessitates determination of the complete hierarchical structure, starting from short-range-order (SRO) → medium-range-order (MRO) → bulk structure and free volume (FV) distribution. This link has largely remained elusive since previous investigations adopted one-technique-at-a-time approach, focusing on limited aspects of any one domain. Reconstruction of structure from experimental data inversion is non-unique for many of these techniques. As a result, complete and precise structural understanding of glass has not emerged yet. In this work, we demonstrate the first experimental pathway for reconstruction of the integrated structure, for Zr67Ni33 and Zr52Ti6Al10Cu18Ni14 glasses. Our strategy engages diverse (7) multi-scale techniques [XAFS, 3D-APT, ABED/NBED, FEM, XRD, PAS, FHREM] on the same glass. This strategy complemented mutual limitations of techniques and corroborated common parameters to generate complete, self-consistent and precise parameters. Further, MRO domain size and inter-void separation were correlated to identify the presence of FV at MRO boundaries. This enabled the first experimental reconstruction of hierarchical subset: SRO → MRO → FV→ bulk structure. The first ever image of intermediate region between MRO domains emerged from this link. We clarify that determination of all subsets is not our objective; the essence and novelty of this work lies in directing the pathway towards finite solution, in the most logical and unambiguous way.

show abstract

Multiscale structures of Zr-based binary metallic glasses and the correlation with glass forming ability

Cited by 17 publications

References 40 publications

Bergman-type medium range order in amorphous Zr77Rh23 alloy studied by ab initio molecular dynamics simulations

Bergman-type medium range order in amorphous Zr77Rh23 alloy studied by ab initio molecular dynamics simulations

Comprehensive characterization of the structure of Zr-based metallic glasses

Comprehensive Characterization of the structure of Zr-based metallic glasses

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