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We developed a new physical model to predict macroscopic properties of inorganic molten systems using a realistic description of inter-atomic interactions. Unlike the conventional approach, which tends to overestimate viscosity by several…

Materials Science · Physics 2015-06-04 Vitaly V. Chaban , Yuriy V. Pereverzev , Oleg V. Prezhdo

The problems of the intermediate-range atomic structure of glasses and of the mechanism for the glass transition are approached from the low-temperature end in terms of a scenario for the atomic organization that justifies the use of an…

Mesoscale and Nanoscale Physics · Physics 2017-05-30 Giancarlo Jug

Generalizing the mode-coupling theory for ideal liquid-glass transitions, equations of motion are derived for the correlation functions describing the glassy dynamics of a diatomic probe molecule immersed in a simple glass-forming system.…

Soft Condensed Matter · Physics 2009-10-31 S. -H. Chong , W. Gotze , A. P. Singh

In this paper we introduce a novel particle filter scheme for a class of partially-observed multivariate diffusions. %continuous-time dynamic models where the %signal is given by a multivariate diffusion process. We consider a variety of…

Methodology · Statistics 2007-10-24 Paul Fearnhead , Omiros Papaspiliopoulos , Gareth Roberts

We study an air-fluidized granular monolayer, composed of plastic spheres which roll on a metallic grid. The air current is adjusted so that the spheres never loose contact with the grid, so that the dynamics may be regarded as pseudo…

Soft Condensed Matter · Physics 2022-11-21 F. Vega Reyes , A. Rodríguez-Rivas , J. F. González-Saavedra , M. A. López-Castaño

The time evolution of the pore size distributions and mechanical properties of amorphous solids at constant pressure is studied using molecular dynamics simulations. The porous glasses were initially prepared at constant volume conditions…

Soft Condensed Matter · Physics 2018-10-22 Nikolai V. Priezjev , Maxim A. Makeev

Nonlinear conductivity effects are studied experimentally and theoretically for thin samples of disordered ionic conductors. Following previous work in this field the {\it experimental nonlinear conductivity} of sodium ion conducting…

Materials Science · Physics 2009-11-11 Andreas Heuer , Sevi Murugavel , Bernhard Roling

We perform extensive numerical simulations of a paradigmatic model glass former, the hard-sphere fluid with 10% polydispersity. We sample from the ensemble of trajectories with fixed observation time, whereby single trajectories are…

Statistical Mechanics · Physics 2020-01-28 Matteo Campo , Thomas Speck

We report an experimental investigation of the caging motion in a uniformly heated granular fluid, for a wide range of filling fractions, $\phi$. At low $\phi$ the classic diffusive behavior of a fluid is observed. However, as $\phi$ is…

Soft Condensed Matter · Physics 2009-11-11 Pedro M. Reis , Rohit A. Ingale , Mark D. Shattuck

We consider a particular class of n-dimensional homogeneous diffusions all of which have an identity diffusion matrix and a drift function that is piecewise constant and scale invariant. Abstract stochastic calculus immediately gives us…

Probability · Mathematics 2009-03-02 Sourav Chatterjee , Soumik Pal

We develop a theory for the description of ionic liquids (ILs) confined in a porous medium formed by a matrix of immobile randomly placed uncharged particles. The IL is modelled as an electroneutral mixture of hardsphere anions and flexible…

Soft Condensed Matter · Physics 2024-07-03 T. Hvozd , T. Patsahan , Yu. Kalyuzhnyi , O. Patsahan , M. Holovko

Particle-particle correlation functions in ionic systems control many of their macroscopic properties. In this work, we use stochastic density functional theory to compute these correlations, and then we analyze their long-range behavior.…

Statistical Mechanics · Physics 2025-02-05 Haggai Bonneau , Vincent Démery , Elie Raphaël

Ionic polymer-metal composites consist in a thin film of electro-active polymers (Nafion R for example) sandwiched between two metallic electrodes. They can be used as sensors or actuators. The polymer is saturated with water, which causes…

Computational Physics · Physics 2021-01-18 Mireille Tixier , Joël Pouget

The dynamical behavior of a kind of models with hierarchically constrained dynamics is investigated. The models exhibit many properties resembling real structural glasses. In particular, we focus on the study of time-dependent temperature…

Statistical Mechanics · Physics 2009-11-07 A. Prados , J. J. Brey

We study self-diffusion within a simple hopping model for glassy materials. (The model is Bouchaud's model of glasses [J.-P. Bouchaud, J. Physique I 2, 1705 (1992)], as extended to describe rheological properties [P. Sollich, F. Lequeux, P.…

Statistical Mechanics · Physics 2009-10-31 R. M. L. Evans , M. E. Cates , P. Sollich

We perform molecular dynamics simulations to study lithium dynamics in a model of LiPO$_3$ glass at temperatures below the glass transition. A straightforward analysis of the ionic trajectories shows that lithium diffusion results from…

Soft Condensed Matter · Physics 2009-11-10 Michael Vogel

The transition from a flowing to a static state in a granular material is studied using large-scale, 3D particle simulations. Similar to glasses, this transition is manifested in the development of a plateau in the contact normal force…

Statistical Mechanics · Physics 2007-05-23 L. E. Silbert , D. Ertas , G. S. Grest , T. C. Halsey , D. Levine

The steady state of ions diffusion in polymer electrolytes at arbitrary applied voltage is analyzed in the framework of the Nernst-Planck-Poisson equation (NPP). The exact solution of the set of equations is found without the assumption of…

Soft Condensed Matter · Physics 2008-06-10 Anatoly Golovnev , Steffen Trimper

Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…

Soft Condensed Matter · Physics 2016-08-08 I. Nezbeda , J. Jirsák , F. Moučka , W. R. Smith

Electrochemical Impedance Spectroscopy and Raman studies are performed on fast ion conducting, AgI-Ag2O-MoO3 glasses, over a wide range of composition to understand the features of structure, ion migration and their correlation. These…

Materials Science · Physics 2019-06-19 B. Tanujit , S. Asokan