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We propose a computational method to measure the configurational entropy in generic polydisperse glass-formers. In particular, our method resolves issues related to the diverging mixing entropy term due to a continuous polydispersity. The…

统计力学 · 物理学 2018-11-09 Misaki Ozawa , Giorgio Parisi , Ludovic Berthier

For several atomistic models of glass formers, at conditions below their glassy dynamics onset temperatures, ${T_\mathrm{o}}$, we use importance sampling of trajectory space to study the structure, statistics and dynamics of excitations…

统计力学 · 物理学 2014-05-08 Aaron S. Keys , Lester O. Hedges , Juan P. Garrahan , Sharon C. Glotzer , David Chandler

Dielectric measurements of the alpha-relaxation time were carried out on a mixture of ortho-terphenyl (OTP) with ortho-phenylphenol (OPP), over a range of temperatures at two pressures, 0.1 and 28.8 MPa. These are the same conditions for…

软凝聚态物质 · 物理学 2007-05-23 C. M. Roland , S. Capaccioli , M. Lucchesi , R. Casalini

In this Letter, we investigate how changes in the system entropy influence the characteristic time scale of the system molecular dynamics near the glass transition. Independently of any model of thermodynamic evolution of the time scale,…

软凝聚态物质 · 物理学 2015-06-24 K. Grzybowska , A. Grzybowski , S. Pawlus , J. Pionteck , M. Paluch

A new approach is theoretically proposed to study the glass transition of active pharmaceutical ingredients and a glass-forming anisotropic molecular liquid at high pressures. We describe amorphous materials as a fluid of hard spheres.…

软凝聚态物质 · 物理学 2020-10-30 Anh D. Phan

Glasses produced via physical vapor deposition can display greater kinetic stability and lower enthalpy than glasses prepared by liquid cooling. While the reduced enthalpy has often been used as a measure of the stability, it is not obvious…

软凝聚态物质 · 物理学 2016-04-06 Julian Helfferich , Ivan Lyubimov , Daniel Reid , Juan J. de Pablo

We use molecular dynamics simulation to study the relationship between structure and dynamics in supercooled binary Lennard--Jones nanoparticles over a range of particle sizes. The glass transition temperature of the nanoparticles is found…

软凝聚态物质 · 物理学 2025-05-15 Weikai Qi , Shreya Tiwary , Richard K. Bowles

Linear dielectric thermodynamics are formally developed to explore the isothermal and adiabatic temperature - pressure dependence of dielectric constants. The refractive index of optical materials is widely measured in the literature: it is…

材料科学 · 物理学 2023-11-15 S. J. Burns

Determining atomistic structures from characterization data is one of the most common yet intricate problems in materials science. Particularly in amorphous materials, proposing structures that balance realism and agreement with experiments…

无序系统与神经网络 · 物理学 2026-03-25 Jiawei Guo , Daniel Schwalbe-Koda

Using X-ray tomography, we experimentally investigate granular packings subject to mechanical tapping for three types of beads with different friction coefficients. We validate Edwards volume ensemble in these three-dimensional granular…

软凝聚态物质 · 物理学 2021-07-07 Ye Yuan , Yi Xing , Jie Zheng , Zhifeng Li , Houfei Yuan , Shuyang Zhang , Zhikun Zeng , Chengjie Xia , Hua Tong , Walter Kob , Jie Zhang , Yujie Wang

We study thermodynamic and dynamic properties of a rigid model of the fragile glass forming liquid orthoterphenyl. A system of N=343 molecules is considered in a wide range of densities and temperatures, reaching simulation times up to 1…

软凝聚态物质 · 物理学 2009-11-07 S. Mossa , E. La Nave , H. E. Stanley , C. Donati , F. Sciortino , P. Tartaglia

Dielectric spectroscopy measurements over a broad range of temperature and pressure were carried out on poly(oxybutylene) (POB), a type-A polymer (dielectrically-active normal mode). There are three dynamic processes appearing at lower…

软凝聚态物质 · 物理学 2009-11-10 R. Casalini , C. M. Roland

In this letter we introduced a new scaling method based on Adam-Gibbs model. Moreover, generalised critical-like expression of configurational entropy S_C (T)=S_0 (1-T_K/T)^n is used. Obtained values of pseudocritical exponent n seem to be…

统计力学 · 物理学 2025-01-23 Szymon Starzonek , Aleksandra Drozd-Rzoska , Sylwester J. Rzoska

Droplet states of ultracold gases which are stabilized by fluctuations have recently been observed for dipolar and two component Bose gases. These systems present a novel form of equilibrium where an instability at the mean field level is…

量子气体 · 物理学 2020-09-29 S. Furkan Ozturk , Enes Aybar , M. O. Oktel

The particle-scale dynamics of granular materials have commonly been characterized by the self-diffusion coefficient $D$. However, this measure discards the collective and topological information known to be an important characteristic of…

软凝聚态物质 · 物理学 2013-05-28 James G. Puckett , Frédéric Lechenault , Karen E. Daniels , Jean-Luc Thiffeault

Many glass-forming fluids exhibit a remarkable thermodynamic scaling in which dynamic properties, such as the viscosity, the relaxation time, and the diffusion constant, can be described under different thermodynamic conditions in terms of…

软凝聚态物质 · 物理学 2015-06-16 Wen-Sheng Xu , Karl F. Freed

We present the temperature dependence of alpha-relaxation times of 13 glass formers determined from broadband dielectric spectroscopy, also including data from aging measurements. The data sets partly cover relaxation-time ranges of up to…

软凝聚态物质 · 物理学 2010-06-03 P. Lunkenheimer , S. Kastner , M. K öhler , A. Loidl

We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…

chem-ph · 物理学 2009-10-22 Shelly L. Shumway , Andrew S. Clarke , Hannes Jónsson

Using very long molecular dynamics simulation runs, temperature protocols spanning up to five orders of magnitude in time-scales are performed to investigate thermally activated structural relaxation in a model amorphous solid. The…

材料科学 · 物理学 2017-10-11 P. M. Derlet , R. Maass

Using a well defined soft model glass in the framework of Molecular Dynamics simulations, the inherent structures are probed by means of a recently developed deformation protocol that aims to capture the Dynamical Heterogeneities (DH), as…

无序系统与神经网络 · 物理学 2013-02-15 F. Leonforte