The role of configurational disorder on plastic and dynamic deformation in Cu64Zr36 metallic glasses: A molecular dynamics analysis

Feng, Shidong; Chan, Kang Cheung; Chen, Shun Hua; Zhao, Lei; Liu, R. P.

doi:10.1038/srep40969

Cited by 19 publications

(11 citation statements)

References 46 publications

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“…The results are in good agreement with the characteristic time of the aged sample, as shown in Fig.3 (a). Therefore, the number of QNAs (N Q ), connected to the defects of clusters, reflects the correlation between local structure and dynamic heterogeneity [37]. Fig.…”

Section: Resultsmentioning

confidence: 99%

Physical aging effects on the dynamic relaxation behavior and mechanical properties of Cu46Zr46Al8 metallic glass

Qiao¹,

Feng²,

Pelletier³

et al. 2017

Journal of Alloys and Compounds

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Mechanical relaxation of glassy materials is strongly influenced by their mechanical and physical properties. In the current study, dynamic mechanical relaxation of Cu46Zr46Al8 metallic glass has been investigated by mechanical spectroscopy and molecular dynamics simulations. Our results show that mechanical properties of metallic glasses are highly dependent on their thermal history. a relaxation in the frequency region of the Cu46Zr46Al8 metallic glass was described by Havriliak-Negami (HN) model. In the framework of the quasi-point defects theory, the correlated factor ¿ could be used to characterize the concentration of “defects” of glassy materials. By molecular dynamics simulations of dynamic mechanical tests at different temperatures and frequencies, it is noted that adjusting of defects is inversely correlated to storage modulus at the atomic level. On the other hand, physical aging below the glass transition temperature Tg reduces the concentration of defects and narrows down the width of shear bands, which corresponds to decreasing of the atomic mobility.Peer ReviewedPostprint (author's final draft

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Section: Resultsmentioning

confidence: 99%

Physical aging effects on the dynamic relaxation behavior and mechanical properties of Cu46Zr46Al8 metallic glass

Qiao¹,

Feng²,

Pelletier³

et al. 2017

Journal of Alloys and Compounds

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“…Dynamic heterogeneity such as β-relaxation process is also affected by nano-scale heterogeneity throughout the matrix 33 . The structural relaxation of these amorphous materials depends on the interconnected icosahedra cluster formation.…”

Section: Resultsmentioning

confidence: 99%

Icosahedra clustering and short range order in Ni-Nb-Zr amorphous membranes

Sarker

Isheim

King

et al. 2018

Sci Rep

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Crystalline Pd/Pd-Ag membranes are widely used for hydrogen separation from CO2 and other gases in power generation applications. To substitute these high cost noble metal alloy membranes, the Ni-Nb-Zr amorphous alloys are being developed that exhibit relatively high permeability of hydrogen between 200–400 °C. Atom probe tomography (APT) experiments performed on these ribbons revealed nm-scale Nb-rich and Zr-rich regions (clusters) embedded in a ternary matrix, indicating phase separation within the Ni-Nb-Zr amorphous alloy. Density functional theory (DFT) simulations have predicted that these clusters are composed of icosahedral coordination polyhedra. The interatomic distances and correlation lengths of the short range order of these alloys were determined by neutron total scattering which match well with our DFT based molecular dynamics (DFT-MD) simulations.

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“…It has been proposed in both experimental and theoretical investigations that tension and compression modes possess different yield behaviors [5][6][7]. Although studying the plasticity in tension or compression is still a long-standing issue, it has been suggested that the yield difference could be related to the difference in plasticity between tension and compression [8,9]. Therefore, it is necessary to the mechanisms of deformation-in the yield stage, in particular-for both tension and compression modes.…”

Section: Introductionmentioning

confidence: 99%

“…To research the microscopic deformation mechanism of MGs, various specific structural concepts have been proposed, including shear transformation zones (STZs), flow units, free volumes (FVs), and flexible volumes [10][11][12][13][14]. It is known that, beginning with the yield stage, STZs begin to form shear bands, which contribute significantly to the plasticity in MGs [9,15]. STZs are the fundamental units of plasticity in amorphous metals, and are small clusters of randomly close-packed atoms that spontaneously and cooperatively reorganize under the action of an applied shear stress.…”

Section: Introductionmentioning

confidence: 99%

Free Volume Contributing to the Different Yield Behaviors between Tension and Compression Deformations in Metallic Glasses

Wang

Yang

2017

Metals

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The different deformation behaviors in the yield stage, in particular, of metallic glasses under uniaxial tension and compression are investigated from an atomic structural perspective, by applying both experimental and simulation methods. A new computational approach for quantitatively calculating free volumes (FVs) in structural models is developed, based on which the manner in which FVs contribute to deformation is studied. It is found that FVs have different expansion behaviors in terms of their saturation sizes and corresponding strain values, which are essential structural causes of different yield behaviors in these two deformations in metallic glasses.

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The role of configurational disorder on plastic and dynamic deformation in Cu64Zr36 metallic glasses: A molecular dynamics analysis

Cited by 19 publications

References 46 publications

Physical aging effects on the dynamic relaxation behavior and mechanical properties of Cu46Zr46Al8 metallic glass

Physical aging effects on the dynamic relaxation behavior and mechanical properties of Cu46Zr46Al8 metallic glass

Icosahedra clustering and short range order in Ni-Nb-Zr amorphous membranes

Free Volume Contributing to the Different Yield Behaviors between Tension and Compression Deformations in Metallic Glasses

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