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篇目详细内容 |
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【篇名】 |
Phonon dynamics of glassy copper alloys |
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【刊名】 |
Frontiers of Chemistry in China |
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【刊名缩写】 |
Front. Chem. China |
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【ISSN】 |
1673-3495 |
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【EISSN】 |
1673-3614 |
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【DOI】 |
10.1007/s11458-011-0227-8 |
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【出版社】 |
Higher Education Press and Springer-Verlag Berlin
Heidelberg |
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【出版年】 |
2011 |
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【卷期】 |
6
卷1期 |
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【页码】 |
54-68
页,共
15
页 |
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【作者】 |
Aditya M. VORA;
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【关键词】 |
pseudopotential; pair potential; phonon dispersion curves (PDC); glassy copper alloys |
【摘要】 |
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The well recognized model potential is used to investigate the phonon properties for five glassy Copper alloys viz. Cu57Zr43, Cu60W40, Cu33Y67, Cu43Ti57 and Cu66Ti34. 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 Bhatia-Singh (BS) are used in the present study to compute the PDC. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are employed to see the effect of exchange and correlation in the aforesaid properties. |
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