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Differences in vibrational entropy of disordered and ordered Cu3Au

机译:无序和有序Cu3Au振动熵的差异

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The difference between the heat capacities of chemically disordered and Lh-ordered Q13AU was measured by calorimetry from 70 to 300 K. By comparing these measured results with a harmonic heat capacity calculated with a Born-von Karman model, we estimate the difference in vibrational entropy between disordered and ordered CU3AU to be (0-14 ± 0'05)A:B atom""' at high temperatures. The smaller vibrational entropy of the ordered alloy originates from features of its optical modes, features which seem related to the different sizes of Cu and Au atoms.
机译:通过从量热法在70至300 K之间测量了化学无序和Lh有序Q13AU的热容量之间的差异。通过将这些测量结果与利用Born-von Karman模型计算的谐波热容量进行比较,我们估计了振动熵的差异在高温下,无序和有序CU3AU之间的差是(0-14±0'05)A:B原子“”'。有序合金的较小振动熵来自其光学模式的特征,这些特征似乎与Cu和Au原子的不同大小有关。

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