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Related papers: Cooling rate effects in amorphous Silica: A Comput…

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Silica is known as the archetypal strong liquid, exhibiting an Arrhenius viscosity curve with a high glass transition temperature and constant activation energy. However, given the ideally isostatic nature of the silica network, the…

Materials Science · Physics 2023-02-15 John C. Mauro , Charles R. Kurkjian , Prabhat K. Gupta , Walter Kob

We present the results of a large scale computer simulation of supercooled silica. We find that at high temperatures the diffusion constants show a non-Arrhenius temperature dependence whereas at low temperature this dependence is also…

Disordered Systems and Neural Networks · Physics 2015-06-25 Jurgen Horbach , Walter Kob , Kurt Binder

The glass transition temperature (Tg) is the temperature, after which the supercooled liquid undergoes a dynamical arrest. Usually, the glass network modifiers (e.g., Na2O) affect the behavior of Tg. However, in aluminosilicate glasses, the…

Materials Science · Physics 2020-07-09 Achraf Atila , Said Ouaskit , Abdellatif Hasnaoui

By means of molecular dynamics simulations and the Voronoi tessellation, we study the influence of the history on the low temperature characteristics of soft sphere and silica glasses. The quench from the liquid is interrupted at an…

Soft Condensed Matter · Physics 2007-05-23 Philippe Jund , Remi Jullien

In this paper we investigate, both analytically and numerically, the emergence of a kinetic glass transition in two different model systems: a uniformly heated granular gas and a molecular fluid with nonlinear drag. Despite the profound…

Soft Condensed Matter · Physics 2024-04-25 A. Patrón , B. Sánchez-Rey , A. Prados

While deeply supercooled liquids exhibit divergent viscosity and increasingly heterogeneous dynamics as the temperature drops, their structure shows only seemingly marginal changes. Understanding the nature of relaxation processes in this…

Materials Science · Physics 2022-11-03 Matthias Lerbinger , Armand Barbot , Damien Vandembroucq , Sylvain Patinet

Using a large scale molecular dynamics computer simulation we investigate the dynamics of a supercooled melt of SiO_2. We find that with increasing temperature the temperature dependence of the diffusion constants crosses over from an…

Statistical Mechanics · Physics 2009-10-31 Walter Kob , Jurgen Horbach , Kurt Binder

The glass transition temperature $T_g$ and the temperature $T_{\alpha}$ corresponding to the peak in the dielectric loss due to the $\alpha$-process have been simultaneously determined as functions of film thickness $d$ through dielectric…

Soft Condensed Matter · Physics 2009-10-31 Koji Fukao , Yoshihisa Miyamoto

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…

Chemical Physics · Physics 2020-11-25 N. M. Chtchelkatchev , R. E. Ryltsev , V. Ankudinov , V. N. Ryzhov , M. Apel , P. K. Galenko

It is frequently assumed that in the limit of vanishing cooling rate, the glass transition phenomenon becomes a thermodynamic transition at a temperature $T_{K}$. However, with any finite cooling rate, the system falls out of equilibrium at…

Statistical Mechanics · Physics 2015-05-13 Saurish Chakrabarty , Smarajit Karmakar , Chandan Dasgupta

We find that the density dependence of the glass transition temperature of Lennard-Jones (LJ) and Weeks-Chandler-Andersen (WCA) systems can be predicted from properties of the zero-temperature ($T=0$) glasses. Below a crossover density…

Soft Condensed Matter · Physics 2014-02-11 Lijin Wang , Ning Xu

Compared to the widely investigated crystalline polymorphs of gallium oxide (Ga2O3), knowledge about its amorphous state is still limited. With the help of a machine-learning interatomic potential, we conducted large-scale atomistic…

Materials Science · Physics 2024-04-29 Jiahui Zhang , Junlei Zhao , Jesper Byggmästar , Erkka J. Frankberg , Antti Kuronen

We present the results of a molecular dynamics computer simulation in which we investigate the dynamics of silica. By considering different system sizes, we show that in simulations of the dynamics of this strong glass former surprisingly…

Statistical Mechanics · Physics 2009-10-28 J. Horbach , W. Kob , K. Binder , C. A. Angell

A fundamental problem of glass transition is to explain the jump of heat capacity at the glass transition temperature $T_g$ without asserting the existence of a distinct solid glass phase. This problem is also common to other disordered…

Soft Condensed Matter · Physics 2015-05-18 Kostya Trachenko , Vadim Brazhkin

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…

Disordered Systems and Neural Networks · Physics 2016-03-24 Ryan Soklaski , Vy Tran , Zohar Nussinov , K. F. Kelton , Li Yang

We study the static and dynamic properties of liquid silica over a wide range of temperature T and density using computer simulations. The results reveal a change in the potential energy landscape as T decreases that underlies a transition…

Materials Science · Physics 2009-11-07 Ivan Saika-Voivod , Peter H. Poole , Francesco Sciortino

The multidimensional topography of the collective potential energy function of a so-called strong glass former (silica) is analyzed by means of classical molecular dynamics calculations. Features qualitatively similar to those of fragile…

Disordered Systems and Neural Networks · Physics 2009-10-31 Philippe Jund , Remi Jullien

We present a computer simulation study of influence of the confinement on the density anomaly in the system with isotropic core-softened potential which is used for a qualitative description of the anomalous behavior of water and some other…

Soft Condensed Matter · Physics 2019-10-28 Yu. D. Fomin , V. N. Ryzhov , E. N. Tsiok

Strong changes in bulk properties, such as modulus and viscosity, are observed near the glass transition temperature, T_{g}, of amorphous materials. For more than a century, intense efforts have been made to define a microscopic origin for…

Disordered Systems and Neural Networks · Physics 2024-04-24 Joseph B. Schlenoff , Khalil Akkaoui

Using positional data from video-microscopy of a two-dimensional colloidal system and from simulations of hard discs we determine the wave-vector-dependent normal mode spring constants in the supercooled fluid and glassy state,…

Soft Condensed Matter · Physics 2012-10-26 Christian L. Klix , Florian Ebert , Fabian Weysser , Matthias Fuchs , Georg Maret , Peter Keim