Glassy Dynamics and Local Crystalline Order in Two-Dimensional Amorphous Silica.

IF 2.9 2区 化学 Q3 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry B Pub Date : 2025-01-23 Epub Date: 2025-01-09 DOI:10.1021/acs.jpcb.4c06881
Marco Dirindin, Daniele Coslovich
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Abstract

We reassess the modeling of amorphous silica bilayers as a 2D classical system whose particles interact with an effective pairwise potential. We show that it is possible to reparametrize the potential developed by Roy, Heyde, and Heuer to quantitatively match the structural details of the experimental samples. We then study the glassy dynamics of the reparametrized model at low temperatures. Using appropriate cage-relative correlation functions, which suppress the effect of Mermin-Wagner fluctuations, we highlight the presence of two well-defined Arrhenius regimes separated by a narrow crossover region, which we connect to the thermodynamic anomalies and changes in the local structure. We find that the bond-orientational order grows steadily below the crossover temperature and is associated with transient crystalline domains of nanometric size. These findings raise fundamental questions about the nature of the glass structure in two dimensions and provide guidelines to interpret the experimental data.

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二维非晶态二氧化硅的玻璃动力学和局部晶序。
我们重新评估无定形二氧化硅双层层的建模作为一个二维经典系统,其粒子与有效的成对势相互作用。我们表明,可以重新参数化Roy, Heyde和Heuer开发的潜力,以定量匹配实验样品的结构细节。然后,我们研究了重参数化模型在低温下的玻璃动力学。我们使用适当的笼相对相关函数,抑制了Mermin-Wagner波动的影响,强调了由狭窄交叉区域分隔的两个定义良好的Arrhenius体系的存在,我们将其与热力学异常和局部结构的变化联系起来。我们发现键取向顺序在交叉温度以下稳定增长,并与纳米尺寸的瞬态晶畴有关。这些发现提出了关于二维玻璃结构性质的基本问题,并为解释实验数据提供了指导。
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来源期刊
CiteScore
5.80
自引率
9.10%
发文量
965
审稿时长
1.6 months
期刊介绍: An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.
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