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We give in this letter a set of general rules which allow the prediction of the value of the glass transition temperature $T_g$ in network glasses. Starting from the Gibbs-Di Marzio law which gives a very general relationship between this…

材料科学 · 物理学 2007-05-23 M. Micoulaut , G. G. Naumis

We give a simple demonstration of the formula relating the glass transition temperature, $T_g$, to the molar concentration $x$ of a modifier in two types of glasses: binary glasses, whose composition can be denoted by $X_nY_m+xM_pY_q$, with…

无序系统与神经网络 · 物理学 2015-06-25 R. Kerner , M. Micoulaut

We give general topological rules which very accurately predict the chemical trends in glass transition temperature $T_g$ variation as a function of cross-linking. In multicomponent glasses, these chemical trends permit to distinguish…

无序系统与神经网络 · 物理学 2009-10-31 Matthieu Micoulaut , Gerardo G. Naumis

Simple statistical agglomeration models can provide a universal link between the local structure and the glass transition temperature in network glasses. We first stress the physical features of the models and the hypothesis made, and then…

材料科学 · 物理学 2009-10-31 Matthieu Micoulaut

We introduce a new quantity to probe the glass transition. This quantity is a linear generalized compressibility which depends solely on the positions of the particles. We have performed a molecular dynamics simulation on a glass forming…

无序系统与神经网络 · 物理学 2009-11-07 Herve M. Carruzzo , Clare C. Yu

The effects of flexibility and chemical composition in the variation of the glass transition temperature are obtained by using the Lindemann criteria, that relates melting temperature with atomic vibrations. Using this criteria and that…

无序系统与神经网络 · 物理学 2015-10-12 Gerardo G. Naumis

Latest since the landmark studies of Kovacs and co-workers on the glass transition of polymers, it is clear that thermally induced volume changes are of central importance for the understanding of the nature of the glass transition. Due to…

软凝聚态物质 · 物理学 2024-03-19 Andreas Klingler , Bernd Wetzel , Jan-Kristian Krueger

Analytical relations for the glass transition temperature, $T_g$, and the crystal melting temperature, $T_m$, are developed on the basis of nonaffine lattice dynamics. The proposed relations explain: (i) the seemingly universal factor of…

软凝聚态物质 · 物理学 2025-03-18 Alessio Zaccone , Konrad Samwer

When the cooling rate $v$ is smaller than a certain material-dependent threshold, the glass transition temperature $T_g$ becomes to a certain degree the "material parameter" being nearly independent on the cooling rate. The common method to…

化学物理 · 物理学 2020-11-25 N. M. Chtchelkatchev , R. E. Ryltsev , V. Ankudinov , V. N. Ryzhov , M. Apel , P. K. Galenko

Describing the dynamics and thermodynamics of amorphous materials near the glass transition is a major challenge in soft-matter physics and polymer engineering. Here, we show that the dependence of the dielectric alpha-relaxation time on…

软凝聚态物质 · 物理学 2025-04-28 Valeriy V. Ginzburg , Oleg V. Gendelman , Riccardo Casalini , Alessio Zaccone

We review the Random First Order Transition Theory of the glass transition, emphasizing the experimental tests of the theory. Many distinct phenomena are quantitatively predicted or explained by the theory, both above and below the glass…

无序系统与神经网络 · 物理学 2015-06-25 Vassiliy Lubchenko , P. G. Wolynes

Recent experimental results suggest that metallic liquids universally exhibit a high-temperature dynamical crossover, which is correlated with the glass transition temperature ($T_{g}$). We demonstrate, using molecular dynamics results for…

无序系统与神经网络 · 物理学 2016-03-24 Ryan Soklaski , Vy Tran , Zohar Nussinov , K. F. Kelton , Li Yang

In this work, we present a new model for the interpretation of the local dynamic behavior and the mechanical reinforcement mechanism in polymer nanocomposites. The temperature dependence of the dynamics in the glassy region is described by…

软凝聚态物质 · 物理学 2019-05-16 Georgios Kritikos , Kostas Karatasos

Using density-functional molecular dynamics simulations we analyzed the cooling-rate effects on the physical properties of GeS$_2$ chalcogenide glasses. Liquid samples were cooled linearly in time according to $T(t) = T_0 - \gamma t$ where…

无序系统与神经网络 · 物理学 2007-05-23 Sebastien Le Roux , Philippe Jund

This work aimed to mathematically model the glass transition temperature (Tg), one of the most important parameters regarding the behavior of slag, responsible for the sudden change in thermomechanical properties of non-crystalline…

材料科学 · 物理学 2023-07-24 Patrick dos Anjos , Lucas A. Quaresma , Marcelo L. P. Machado

The glass transition temperature and its connection to statistical properties of confined and free-standing polymer films of varying thickness containing unentangled to highly entangled bead-spring chains are studied by molecular dynamics…

软凝聚态物质 · 物理学 2023-09-21 Hsiao-Ping Hsu , Kurt Kremer

We show that a glass transition, signaled by a peak in the specific heat vs. temperature, can occur because a glassy system that shows no signs of aging progresses so slowly through the energy landscape that the time needed to obtain an…

无序系统与神经网络 · 物理学 2007-05-23 Clare C. Yu , Herve M. Carruzzo

We develop a transferable machine learning model which predicts structural relaxation from amorphous supercooled liquid structures. The trained networks are able to predict dynamic heterogeneity across a broad range of temperatures and time…

软凝聚态物质 · 物理学 2024-02-27 Gerhard Jung , Giulio Biroli , Ludovic Berthier

The dynamical glass transition is typically taken to be the temperature at which a glassy liquid is no longer able to equilibrate on experimental timescales. Consequently, the physical properties of these systems just above or below the…

软凝聚态物质 · 物理学 2017-03-08 Samuel S. Schoenholz , Ekin D. Cubuk , Efthimios Kaxiras , Andrea J. Liu

The dramatic dynamic slowing down associated with the glass transition is considered by many to be related to the existence of a static length scale that grows when temperature decreases. Defining, identifying and measuring such a length is…

统计力学 · 物理学 2014-05-29 Giulio Biroli , Smarajit Karmakar , Itamar Procaccia
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