首页|Vibrational dynamics of Fe-based glassy alloys

Vibrational dynamics of Fe-based glassy alloys

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The well recognized model potential is used to investigate the vibrational properties of four Fe-based binary glassy alloys viz. Fe90Zr10, Fes0B20, Fes3B17 and Fe80P20. The thermodynamic and elastic properties are also computed from the elastic limits of the phonon dispersion curves (PDC). Three theoretical approaches given by Hubbard-Beeby (HB), Takeno-Goda (TG) and Bhafia-Singh (BS) are used in the present study to compute the PDC. Six local field correction functions proposed by Hartree (H), Taylor (T), lchimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) and Sarkar et al.'s local field factor (SLFF) based excgange and correlation function are employed to see the effect of exchange and correlation in the aforesaid properties.

pseudopotentialpair potentialphonon dispersion curves (PDC)Fe-based binary glassy alloysstatic propertiesvibrational properties

Aditya M. VORA

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Humanities and Social Science Department, STBS College of Diploma Engineering, Surat 395006, India

2011

中国化学前沿
高等教育出版社

中国化学前沿

ISSN:1673-3495
年,卷(期):2011.6(2)
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