On the microstructure of the Cu65Zr35 and Cu35Zr65 metallic glasses

Almyras, G.A.; Lekka, Ch.E.; Mattern, N.; Evangelakis, G.A.

doi:10.1016/j.scriptamat.2009.09.019

Cited by 60 publications

(54 citation statements)

References 16 publications

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“…Fig. 3 shows the typical structural motif of the MD configuration-a "supecluster" 35,37 consisting of two interpenetrating icosahedral-like clusters. In our TABLE I.…”

Section: Methodsmentioning

confidence: 99%

Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses

Antonowicz

Pietnoczka

Pȩkała

et al. 2014

Journal of Applied Physics

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The basic polyhedral clusters, the optimum glass formers, and the composition-structure-property (glass-forming ability) correlation in Cu-Zr metallic glasses J. Appl. Phys. 107, 063508 (2010) We studied atomic and electronic structures of binary Cu-Zr metallic glasses (MGs) using combined experimental and computational methods including X-ray absorption fine structure spectroscopy, electrical resistivity, thermoelectric power (TEP) measurements, molecular dynamics (MD) simulations, and ab-initio calculations. The results of MD simulations and extended X-ray absorption fine structure analysis indicate that atomic order of Cu-Zr MGs and can be described in terms of interpenetrating icosahedral-like clusters involving five-fold symmetry. MD configurations were used as an input for calculations of theoretical electronic density of states (DOS) functions which exhibits good agreement with the experimental X-ray absorption near-edge spectra. We found no indication of minimum of DOS at Fermi energy predicted by Mott's nearly free electron (NFE) model for glass-forming alloys. The theoretical DOS was subsequently used to test Mott's model describing the temperature variation of electrical resistivity and thermoelectric power of transition metal-based MGs. We demonstrate that the measured temperature variations of electrical resistivity and TEP remain in a contradiction with this model. On the other hand, the experimental temperature dependence of electrical resistivity can be explained by incipient localization of conduction electrons. It is shown that weak localization model works up to relatively high temperatures when localization is destroyed by phonons. Our results indicate that electron transport properties of Cu-Zr MGs are dominated by localization effects rather than by electronic structure.We suggest that NFE model fails to explain a relatively high glass-forming ability of binary Cu-Zr alloys. V C 2014 AIP Publishing LLC.[http://dx

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“…Fig. 3 shows the typical structural motif of the MD configuration-a "supecluster" 35,37 consisting of two interpenetrating icosahedral-like clusters. In our TABLE I.…”

Section: Methodsmentioning

confidence: 99%

Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses

Antonowicz

Pietnoczka

Pȩkała

et al. 2014

Journal of Applied Physics

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“…Here we will briefly review the main results obtained regarding the relationship between the atomic structures and properties in Cu-Zr MGs. (1) The short range order (SRO) around Cu atoms in Cu-Zr MGs is dominated by full or distorted icosahedra (ICO) [11][12][13][14][15][16][17], whereas SRO around Zr atoms is mainly Frank-Kasper polyhedra [18,19]. Different spatial organizations of ICO (i.e.…”

Section: Introductionmentioning

confidence: 99%

Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

et al. 2014

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Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium range order (MRO), remains difficult to describe. Specifically lacking is our understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this study, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed Cu 64.5 Zr 35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. Cluster alignment method was employed to characterize the icosahedral short range order (ISRO) and Bergman type medium range order (BMRO) in the models upon loading and unloading. From this analysis, we find the disruption of both ISRO and BMRO occurs as the strain reaches about 0.02, well below the elastic limit. Within the elastic limit, the total fractions of ISRO or BMRO can be fully recovered upon unloading. The diffusivity increases 6-8 times in regions undergoing plastic deformation, which is due to the dramatic disruption of the ISRO and BMRO. By mapping the spatial distributions of the mobile atoms, we demonstrate the increase in atomic mobility is due to the extended regions of disrupted ISRO and more importantly BMRO.

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“…Recently, based on the study of the Cu-Zr metallic glasses, Almyras et al 110 found that the combinations of icosahedrallike clusters can be formed according to a simple rule. They demonstrated that the combinations of icosahedral-like clusters can follow a sequence of magic number by considering the system's stoichiometry.…”

Section: Dense Packing Of Atomic Cluster Modelmentioning

confidence: 99%

The Development of Structure Model in Metallic Glasses

et al. 2017

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Metallic glasses (amorphous alloys) have grown from a singular observation to an expansive class of alloys with a broad range of scientific interests. Their unique properties require a robust understanding on the structures at the atomic level while alloys in this class have a similar outlook on the microstructure. In this review, we went through the history of the majority studies on the structure models of metallic glasses, and summarized their historical contributions to the understanding of the structure metallic glasses and the relationship between their structures and properties.

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On the microstructure of the Cu65Zr35 and Cu35Zr65 metallic glasses

Cited by 60 publications

References 16 publications

Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses

Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses

Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

The Development of Structure Model in Metallic Glasses

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