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Theoretical study of vibrational dynamics and properties of Cu_(57)Zr_(43) metallic glass

机译:Cu_(57)Zr_(43)金属玻璃的振动动力学和性能的理论研究

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Density fluctuations in Cu_(57)Zr_(43) metallic glass have been studied in terms of eigen-frequencies of longitudinal and transverse phonon modes in effective medium approximation. Two different theoretical approaches used for the numerical calculations are: (1) self-consistent phonon theory developed by Takeno and Goda for amorphous solids and (2) model approach of Hubbard and Beeby. The results have been compared with the results of Kobayashi and Takeuchi obtained through recursion method. The low wave vector transfer region of computed dispersion curves have been used in order to determine the elastic and thermal properties of the glass. The results are found to be in excellent agreement with the results obtained through recursion technique. Further, the vibrational part of specific heat using phonon eigen-frequencies is also calculated and compared with experimental results of Suck et al. A good qualitative agreement is found.
机译:研究了Cu_(57)Zr_(43)金属玻璃在有效介质近似下纵向和横向声子模本征频率的密度涨落。用于数值计算的两种不同的理论方法是:(1)Takeno和Goda针对非晶态固体开发的自洽声子理论,以及(2)Hubbard和Beeby的模型方法。将该结果与通过递归法获得的Kobayashi和Takeuchi的结果进行了比较。为了确定玻璃的弹性和热性能,已使用计算出的色散曲线的低波矢量传递区域。发现结果与通过递归技术获得的结果非常一致。此外,还计算了使用声子本征频率的比热的振动部分,并将其与Suck等人的实验结果进行了比较。找到了良好的定性协议。

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