Collective dynamics of Zr-based bulk metallic glasses

Vora, Aditya M.; Gandhi, Alkesh L.

doi:10.1016/j.cjph.2019.10.013

Cited by 8 publications

(9 citation statements)

References 30 publications

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“…The pseudopotential perturbation theory is an accepted tool for determining properties of amorphous alloys. As far as analytical calculations are concerned, many approximations based on model approaches are available to study the BMGs [1][2][3][4][5][6][7][8][9][10][11]. Shaw's optimized constant-core model pseudopotential [36] along with five different local field correction functions viz.…”

Section: Computational Methodologymentioning

confidence: 99%

“…However, the well suitable pseudo-alloy-atom (PAA) model explains such interactions vary precisely. Hence, in the present article, the PAA model is used to investigate the phonon dynamics of 100− binary BMG systems [1][2][3][4][5][6][7][8][9][10][11].…”

Section: Computational Methodologymentioning

confidence: 99%

“…Similarly, Lad and Pratap [18] have theoretically investigated the PDC of Zr-Ni BMG with model potential formalism using TG [31,32] and BS [28] approaches and got the results very close to the experimental and theoretical data available in the literature. While, Vora and coworkers [1][2][3][4][5][6][7][8][9][10][11][12] have evaluated the collective dynamics of some BMGs using Ashcroft's empty core model pseudopotential [34] Singh et al [19] have examined Zr-Ni BMG with HB [30], TG [31,32] and BS [28] approaches using a newly constructed free model potential, which is, in fact, the alteration of the Ashcroft's model potential [34] only. The electronic structure, bonding and 3D atomic structure of Zr67Ni33 BMG were studied by Sugita et al [20].…”

Section: Bmgmentioning

confidence: 99%

“…The electronic structure, bonding and 3D atomic structure of Zr67Ni33 BMG were studied by Sugita et al [20]. Very recently, Gandhi and Vora [6][7][8][9][10] have reported vibrational dynamics of some binary to hexanary BMGs using model pseudopotential theory. The interest in the Zr-based BMGs has been growing due to their superior mechanical properties like high fracture resistance, good corrosion resistance and micro-formability, which make them a favorable choice for various applications including high field superconducting magnets and the place where brittle alloys are not used [19,20].…”

Section: Bmgmentioning

confidence: 99%

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Phonon dynamics of Zr67Ni33 AND Fe80B20 binary glassy alloys

Vora¹,

Gandhi²

2021

BIBECHANA

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Binary amorphous alloys are the primary bulk metallic glasses (BMGs). Two binary BMGs Zr67Ni33 and Fe80B20 have been studied in the present work using the pseudo- alloy-atom (PAA) model based on the pseudopotential theory. Some important thermodynamic properties like Debye temperature and elastic properties like elasticity moduli and Poisson’s ratio at room temperature are theoretically computed with the help of pseudopotential theory from the elastic limit of the phonon dispersion curves (PDCs). The collective dynamics of longitudinal and transverse phonon modes are investigated in terms of eigenfrequencies of the localized collective modes. The presently computed results are compared with the other such data including theoretically generated results from the molecular dynamics at different temperatures as available in the literature and an acceptable agreement is found. BIBECHANA 18 (2021) 33-47

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Section: Computational Methodologymentioning

confidence: 99%

Section: Computational Methodologymentioning

confidence: 99%

Section: Bmgmentioning

confidence: 99%

Section: Bmgmentioning

confidence: 99%

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Phonon dynamics of Zr67Ni33 AND Fe80B20 binary glassy alloys

Vora¹,

Gandhi²

2021

BIBECHANA

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“…The phonon dynamics of metallic glasses have been studied experimentally [10][11] using neutron scattering. Theoretically computed phonon frequencies have been investigated by many researchers [12][13][14][15][16][17] for correlating them with mechanical and thermal properties in a variety of metallic glasses. Three main theoretical approaches, namely Hubbard and Beeby [15], Takeno and Goda [16] and that of Bhatia and Singh [8] are widely used for computing phonon frequencies of metallic glasses.…”

Section: Abstract: Bulk Metallic Glass Dispersion Curves Dielectricmentioning

confidence: 99%

Influence of Dielectric Screenings on Phonon Frequencies and Acoustic Properties of Pd-Based Bulk Metallic Glasses

Koireng

Agarwal

Gokhroo³

2020

EEJP

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The phonon dispersion curves for bulk metallic glasses (BMGs) Pd40Ni10Cu30P20 and Pd64Ni16P20 are computed for the longitudinal and transverse phonon frequencies using the simple model given by Bhatia and Singh. Different dielectric screening functions are employed for the longitudinal mode. We obtain the values of the force constants β and δ calculated from the elastic constants of the material of the respective BMGs for computing the dispersion curves. The computed phonon dispersion curves show appropriate behaviour for both the longitudinal and transverse modes. The transverse sound velocity and the longitudinal sound velocities with various dielectric screenings are calculated in the long wavelength region from the computed dispersion curves for both the BMGs. The first peak position of the static structure factor is predicted from the dispersion curves. The values of sound velocities and the first peak of the static structure factor estimated from the computed dispersion curves show excellent agreement with the experimental values reported in literature for the BMGs under consideration and the results may be used for correlating other properties of the BMGs.

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Phonon Dynamics and Collective Excitations in Cu60Zr20Hf10Ti10 Bulk Metallic Glass

Gandhi

Vora

2021

Lecture Notes in Mechanical Engineering

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Collective dynamics of Zr-based bulk metallic glasses

Cited by 8 publications

References 30 publications

Phonon dynamics of Zr67Ni33 AND Fe80B20 binary glassy alloys

Phonon dynamics of Zr67Ni33 AND Fe80B20 binary glassy alloys

Influence of Dielectric Screenings on Phonon Frequencies and Acoustic Properties of Pd-Based Bulk Metallic Glasses

Phonon Dynamics and Collective Excitations in Cu60Zr20Hf10Ti10 Bulk Metallic Glass

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