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The present paper deals with the theoretical study of the vibrational modes and elastic propertiesElastic properties of Zr₆₁CuₓNi₁₂.₈Al₇.₉Sn₁₋ₓ bulk metallic glassBulk metallic glass using our well-defined pseudopotentialPseudopotential. Phonon dispersion curves for both longitudinal and transverse modes are computed using the Hubbard-Beeby (HB) and Takeno-Goda (TG) approaches. The influence of electronic screening is analyzed through four local field correction functions: Hartree (H), Ichimaru-Utsumi (IU), Farid et al. (F), and Sarkar-Sen et al. (S). The calculated phonon modesPhonon modes reproduce key features of vibrational dynamics, while the elastic constants show good agreement with experimental data. This work highlights the critical role of screening effects and validates the reliability of our pseudopotentialPseudopotential framework for modelling complex amorphous alloysAmorphous alloys.

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A Study of Collective Vibrations of Zr61CuxNi12.8Al7.9Sn1-x Bulk Metallic Glasses: A Pseudopotential Approach

  • 会议论文

  • 发表日期：

    2026年

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  • P. H. Suthar,
  • A. M. Vora,
  • B. Y. Thakore

摘要

The present paper deals with the theoretical study of the vibrational modes and elastic propertiesElastic properties of Zr₆₁CuₓNi₁₂.₈Al₇.₉Sn₁₋ₓ bulk metallic glassBulk metallic glass using our well-defined pseudopotentialPseudopotential. Phonon dispersion curves for both longitudinal and transverse modes are computed using the Hubbard-Beeby (HB) and Takeno-Goda (TG) approaches. The influence of electronic screening is analyzed through four local field correction functions: Hartree (H), Ichimaru-Utsumi (IU), Farid et al. (F), and Sarkar-Sen et al. (S). The calculated phonon modesPhonon modes reproduce key features of vibrational dynamics, while the elastic constants show good agreement with experimental data. This work highlights the critical role of screening effects and validates the reliability of our pseudopotentialPseudopotential framework for modelling complex amorphous alloysAmorphous alloys.