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Molecular dynamics simulations are performed to study the lithium jumps in LiPO3 glass. In particular, we calculate higher-order correlation functions that probe the positions of single lithium ions at several times. Three-time correlation…

Condensed Matter · Physics 2009-11-10 Michael Vogel

We present results of molecular dynamics simulations on lithium metasilicate over a broad range of temperatures for which the silicate network is frozen in but the lithium ions can still be equilibrated. The lithium dynamics is studied via…

Disordered Systems and Neural Networks · Physics 2017-08-23 Andreas Heuer , Magnus Kunow , Michael Vogel , Radha D. Banhatti

We numerically investigate the dynamic heterogeneity and its length scale found in the coarse-grained ionic liquid model systems. In our ionic liquid model systems, cations are modeled as dimers with positive charge, while anions are…

Soft Condensed Matter · Physics 2016-03-10 Soree Kim , Sang-Won Park , YounJoon Jung

A multi-time extension of a density correlation function is introduced to reveal temporal information about dynamical heterogeneity in glass-forming liquids. We utilize a multi-time correlation function that is analogous to the higher-order…

Soft Condensed Matter · Physics 2010-08-03 Kang Kim , Shinji Saito

Supercooled liquids exhibit spatial heterogeneity in the dynamics of their fluctuating atomic arrangements. The length and time scales of the heterogeneous dynamics are central to the glass transition and influence nucleation and growth of…

Materials Science · Physics 2018-05-09 Pei Zhang , Jason J. Maldonis , Ze Liu , Jan Schroers , Paul M. Voyles

In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…

Materials Science · Physics 2014-05-30 Luis G. V. Gonçalves , José P. Rino

We examine the dynamics of hard spheres and discs at high packing fractions in two and three dimensions, modeling the simplest systems exhibiting a glass transition. As it is well known, cooperativity and dynamic heterogeneity arise as…

Soft Condensed Matter · Physics 2007-05-23 Burkhard Doliwa , Andreas Heuer

A theoretical treatment of deeply supercooled liquids is difficult because their properties emerge from spatial inhomogeneities that are self-induced, transient, and nanoscopic. I use computer simulations to analyse self-induced static and…

Statistical Mechanics · Physics 2021-08-24 Ludovic Berthier

We show by means of experiments, theory and simulations, that the slow dynamics of coarsening systems displays dynamic heterogeneity similar to that observed in glass-forming systems. We measure dynamic heterogeneity via novel multi-point…

The dynamical properties of liquid lithium at several thermodynamic states near the triple point have been studied within the framework of the mode-coupling theory. We present a self-consistent scheme which, starting from the knowledge of…

Disordered Systems and Neural Networks · Physics 2009-10-31 J. Casas , D. J. Gonzalez , L. E. Gonzalez

Dynamical heterogeneities in a colloidal fluid close to gelation are studied by means of computer simulations. A clear distinction between some fast particles and the rest, slow ones, is observed, yielding a picture of the gel composed by…

Soft Condensed Matter · Physics 2009-11-10 Antonio M. Puertas , Matthias Fuchs , Michael E. Cates

Dynamic heterogeneity is expected to be a key concept for understanding the origin of slow dynamics near the glass transition. In previous studies, quantitative evaluations of dynamic heterogeneity have been attempted using two different…

Disordered Systems and Neural Networks · Physics 2022-04-11 Kohsei Kanayama , Taiki Hoshino , Ryoichi Yamamoto

A relation between equilibrium, steady-state, and waiting-time dependent dynamical two-time correlation functions in dense glass-forming liquids subject to homogeneous steady shear flow is discussed. The systems under study show pronounced…

Soft Condensed Matter · Physics 2015-05-18 Matthias Krüger , Fabian Weysser , Thomas Voigtmann

We report an extensive and systematic investigation of the multi-point and multi-time correlation functions to reveal the spatio-temporal structures of dynamic heterogeneities in glass-forming liquids. Molecular dynamics simulations are…

Soft Condensed Matter · Physics 2013-01-04 Kang Kim , Shinji Saito

We examine the phenomenon of dynamical heterogeneity in computer simulations of an equilibrium, glass-forming liquid. We describe several approaches to quantify the spatial correlation of single-particle motion, and show that spatial…

Soft Condensed Matter · Physics 2009-09-25 Sharon C. Glotzer , Claudio Donati

The existence of heterogeneity in the dynamics of supercooled liquids is believed to be one of the hallmarks of the glass transition. Intense research has been carried out in the past to understand the origin of this heterogeneity in…

Soft Condensed Matter · Physics 2020-07-01 Indrajit Tah , Smarajit Karmakar

We investigate dynamical heterogeneities in the collective relaxation of a concentrated microgel system, for which the packing fraction can be conveniently varied by changing the temperature. The packing fraction dependent mechanical…

Soft Condensed Matter · Physics 2011-05-31 David A. Sessoms , Irmgard Bischofberger , Luca Cipelletti , Véronique Trappe

The origin of the dramatic changes in the behavior of liquids as they approach their vitreous state - increases of many orders of magnitude in transport properties and dynamic time scales - is a major unsolved problem in condensed matter.…

Soft Condensed Matter · Physics 2015-06-23 R. Casalini , D. Fragiadakis , C. M. Roland

In this paper the phenomenon of dynamic heterogeneity in supercooled liquid systems is considered in terms of the recently proposed gauge theory of glass transition. The physical interpretation of the dynamic scaling is considered. It is…

Statistical Mechanics · Physics 2015-06-23 Mikhail Vasin

Enhancing the ion conduction in solid electrolytes is critically important for the development of high-performance all-solid-state lithium-ion batteries (LIBs). Lithium thiophosphates are among the most promising solid electrolytes, as they…

Materials Science · Physics 2024-01-11 Zhimin Chen , Tao Du , N. M. Anoop Krishnan , Yuanzheng Yue , Morten M. Smedskjaer
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