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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Elementary excitations and the specific heat peak in a supercooled mixture: simulation studies
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Elementary excitations and the specific heat peak in a supercooled mixture: simulation studies

机译：过冷混合物中的基本激发和比热峰：模拟研究

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摘要

We report on the existence of a peak in both C-P and C-V, in simulation studies of a 2D glass-forming mixture of soft disks. We present evidence that this feature represents an equilibrium property of the supercooled liquid. To establish what degrees of freedom are associated with this anomalous heat capacity, we have resolved the instantaneous potential energy into that due to the local minimum (identified through a conjugate gradient quench) and the residue. We demonstrate that the peak in C-V arises due to fluctuations between different local minima. We have examined the spatial distribution of the energy change between adjacent minima and demonstrate that. at low temperatures, the fluctuations in energy involve reasonably compact clusters of particles. The particles in these clusters are not necessarily the same as those involved in large amplitude displacements. (C) 2002 Elsevier Science B.V. All rights reserved. [References: 13]
机译：在对软盘的二维玻璃混合物的模拟研究中，我们报告了在C-P和C-V中都存在一个峰的情况。我们提供的证据表明，该特征代表了过冷液体的平衡特性。为了确定与该异常热容量相关的自由度，我们已将瞬时势能分解为由于局部最小值（通过共轭梯度淬灭识别）和残渣而产生的瞬时势能。我们证明C-V的峰值是由于不同局部最小值之间的波动而产生的。我们研究了相邻极小值之间能量变化的空间分布，并证明了这一点。在低温下，能量的波动涉及相当紧凑的粒子簇。这些簇中的粒子不必与大振幅位移中涉及的那些相同。 （C）2002 Elsevier Science B.V.保留所有权利。 [参考：13]

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