玻璃形成液体的时空刚性和粘弹性:以硫属化合物为例

Q1 Physics and Astronomy
Hugo M. Flores-Ruiz , J. Quetzalcóatl Toledo-Marín , Cristian Fernando Moukarzel , Gerardo G. Naumis
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引用次数: 1

摘要

玻璃成型流体的粘弹性包含了大量的时空刚性信息。粘弹性和流变学提供了替代的实验、计算和理论方法来评估过冷液体在玻璃化转变附近的弛豫中的化学成分效应。特别是,横向电流相关和横向动力结构因子包含时空信息,允许将横向振动模式的动力间隙与液体中的软盘模式和弛豫时间联系起来。在这里,对这个主题做了一个简短的修改,包括对碲的模拟,一种典型的硫系玻璃。我们的结果与典型金属液体的结果相似。为了使这一结果合理化,使用包含柔韧性和硬核电位的模型对应变系综进行了统计力学分析。这表明,熵类似于硬索流体,角键只有在不受温度影响的情况下才会使熵重归一化。最后,与硒进行比较,其中断键效应不允许这样直接的处理。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Space-time rigidity and viscoelasticity of glass forming liquids: The case of chalcogenides

The viscoelasticity of glass-forming fluids contains sustantial information about space-time rigidity. Viscoelasticity and rheology provide alternative experimental, computational and theoretical ways to asses chemical composition effects in the relaxation of supercooled liquids near the glass transition. In particular, the transverse current correlation and transversal dynamical structure factor contain space-time information allowing to relate the dynamical gap of transversal vibrational modes with floppy modes and relaxation times in the liquid. Here, a short revision is made of the subject, including simulations of Tellurium, a typical chalcogenide glass. Our results are similar to those obtained for typical metallic liquids. To rationalize this result, an statistical mechanics analysis in the strain ensemble is performed by using a model that incorporates flexibility and hard-core potentials. This shows that the entropy is akin to a hard-cord fluid as angular bonds only renormalize the entropy if they are not substantially affected by temperature effects. Finally, a comparison is made with Selenium, where bond breaking effects do not allow such a straight-forward treatment.

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来源期刊
Journal of Non-Crystalline Solids: X
Journal of Non-Crystalline Solids: X Materials Science-Materials Chemistry
CiteScore
3.20
自引率
0.00%
发文量
50
审稿时长
76 days
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