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Lattice dynamics of the Ni0.3Fe0.7-H system

机译:Ni0.3Fe0.7-H系统的晶格动力学

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摘要

Lattice dynamical investigation on the Ni0.3Fe0.7-H system has been carried out to calculate the phonon dispersion for Fe rich Ni-Fe alloy along the [100], [101] and [111] directions. A reasonably good agreement is found between the computed and experimental results. Phonon density of states, specific heat and the Debye temperature are also calculated and the results are compared with the available results of others. The mean square displacement of atoms surrounding the interstitial hydrogen atom and the defect modes are also reported.
机译:已经对Ni0.3Fe0.7-H系统进行了晶格动力学研究,以计算富铁Ni-Fe合金沿[100],[101]和[111]方向的声子色散。在计算结果和实验结果之间找到了相当好的一致性。还计算了声子的密度,比热和德拜温度,并将结果与​​其他可用结果进行了比较。还报道了间隙氢原子周围原子的均方位移和缺陷模式。

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