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Communication: Pseudoisomorphs in liquids with intramolecular degrees of freedom

机译:交流:具有分子内自由度的液体中的假同晶型

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Computer simulations show that liquids of molecules with harmonic intramolecular bonds may have "pseudoisomorphic" lines of approximately invariant dynamics in the thermodynamic phase diagram. We demonstrate that these lines can be identified by requiring scale invariance of the inherent-structure reduced-unit low-frequency vibrational spectrum evaluated for a single equilibrium configuration. This rationalizes why generalized excess-entropy scaling, density scaling, and isochronal super-position apply for many liquids with internal degrees of freedom. Published by AIP Publishing.
机译:计算机模拟表明,在热力学相图中,具有谐波分子内键的分子的液体可能具有近似不变的动力学的“伪同构”线。我们证明,可以通过要求对单个平衡配置评估的固有结构简化单元低频振动谱的尺度不变性来识别这些线。这合理化了为什么广义的超熵标度,密度标度和等时叠加适用于许多具有内部自由度的液体。由AIP Publishing发布。

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