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We numerically investigated the connection between isobaric fragility and the properties of high-order stationary points of the potential energy surface in different supercooled Lennard-Jones mixtures. The increase of effective activation…

Statistical Mechanics · Physics 2007-10-02 D. Coslovich , G. Pastore

We investigate the influence of static correlations beyond the pair level on the dynamics of selected model glass-formers. We compare the pair structure, angular distribution functions, and statistics of Voronoi polyhedra of two well-known…

Statistical Mechanics · Physics 2011-06-01 Daniele Coslovich

We present molecular dynamics results for a two component, two-dimensional Lennard-Jones supercooled liquid near the glass transition. We find that the supercooled liquid is spatially heterogeneous and that there are long-lived clusters…

Disordered Systems and Neural Networks · Physics 2009-10-31 Gregory Johnson , Andrew I. Melcuk , Harvey Gould , W. Klein , Raymond D. Mountain

Dynamical properties of a Lennard-Jones binary mixture embedded in an off lattice matrix of soft spheres are studied in the direct space upon supercooling by molecular dynamics simulations. On lowering temperature the smaller particles tend…

Soft Condensed Matter · Physics 2009-11-10 P. Gallo , R. Pellarin , M. Rovere

The liquid structure of a glass-forming binary alloy is studied using molecular dynamics simulations. The analysis combines common neighbour analysis with the geometrical approach of Frank and Kasper to establish that the supercooled liquid…

Soft Condensed Matter · Physics 2010-03-11 Ulf R. Pedersen , Thomas B. Schrøder , Jeppe C. Dyre , Peter Harrowell

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…

Soft Condensed Matter · Physics 2025-05-15 Weikai Qi , Shreya Tiwary , Richard K. Bowles

We examine the structural and dynamic properties of confined binary hard-sphere mixtures designed to mimic realizable colloidal thin films. Using computer simulations, governed by either Newtonian or overdamped Langevin dynamics, together…

Soft Condensed Matter · Physics 2015-05-01 Jonathan A. Bollinger , Avni Jain , James Carmer , Thomas M. Truskett

We present an operational method to determine the 'locally preferred structure'' of model liquids, a notion often put forward to explain supercooling of a liquid and glass formation. The method relies on finding the global minimum in the…

Disordered Systems and Neural Networks · Physics 2011-05-05 S. Mossa , G. Tarjus

A model for the supercooled liquid is considered by taking into account its solid like properties. We focus on how the long time dynamics is affected due to the coupling between the slowly decaying density fluctuations and the local…

Soft Condensed Matter · Physics 2009-11-13 Madhu Priya , Shankar P. Das

We investigate the static and dynamic properties of a weakly polydisperse hard sphere system in the deeply supercooled state, i.e. at densities higher than that corresponding to the mode-coupling transition. The structural analysis reveals…

Soft Condensed Matter · Physics 2017-12-27 C. Patrick Royall , Walter Kob

We report a molecular dynamics simulation of a supercooled simple monatomic glass-forming liquid. It is found that the onset of the supercooled regime results in formation of distinct domains of slow diffusion which are confined to the…

Disordered Systems and Neural Networks · Physics 2009-11-07 Mikhail Dzugutov , Sergei I. Simdyankin , Fredrik H. M. Zetterling

Machine learning techniques have been used to quantify the relationship between local structural features and variations in local dynamical activity in disordered glass-forming materials. To date these methods have been applied to an array…

Soft Condensed Matter · Physics 2021-01-07 Indrajit Tah , Tristan A. Sharp , Andrea J. Liu , Daniel M. Sussman

The rapid rise of viscosity or relaxation time upon supercooling is universal hallmark of glassy liquids. The temperature dependence of the viscosity, however, is quite non universal for glassy liquids and is characterized by the system's…

Soft Condensed Matter · Physics 2022-10-12 Indrajit Tah , Sean A. Ridout , Andrea J. Liu

We present the results of a large scale molecular dynamics computer simulation study in which we investigate whether a supercooled Lennard-Jones liquid exhibits dynamical heterogeneities. We evaluate the non-Gaussian parameter for the self…

Disordered Systems and Neural Networks · Physics 2009-10-30 Walter Kob , Claudio Donati , Steven J. Plimpton , Peter H. Poole , Sharon C. Glotzer

By considering Voronoi tessellations of the configurations of a fluid, we propose two new conserved fields, which provide structural information not fully accounted for by the usual 2-point density field fluctuations (structure factor). One…

Statistical Mechanics · Physics 2013-12-13 Jean Farago , Alexander N. Semenov , Stefan Frey , Joerg Baschnagel

After a brief introduction to the dynamics of supercooled liquids, we discuss some of the advantages and drawbacks of computer simulations of such systems. Subsequently we present the results of computer simulations in which the dynamics of…

Statistical Mechanics · Physics 2009-10-31 Walter Kob

We demonstrate that there is a long-range vortex-vortex attraction in ferromagnetic superconductors due to polarization of the magnetic moments. Vortex clusters are then stabilized in the ground state for low vortex densities. The motion of…

Superconductivity · Physics 2012-11-29 Shi-Zeng Lin , Lev N. Bulaevskii , Cristian D. Batista

As approaching the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamics is believed to be responsible for different…

Soft Condensed Matter · Physics 2018-03-28 F. Puosi , N. Jakse , A. Pasturel

We present the results of molecular dynamics computer simulations of a binary Lennard-Jones liquid confined between two parallel rough walls. These walls are realized by frozen amorphous configurations of the same liquid and therefore the…

Condensed Matter · Physics 2009-09-29 Peter Scheidler , Walter Kob , Kurt Binder

We discuss the spatiotemporal behavior of local density and its relation to dynamical heterogeneity in a highly supercooled liquid by using molecular dynamics simulations of a binary mixture with different particle sizes in two dimensions.…

Soft Condensed Matter · Physics 2015-03-20 Hayato Shiba , Takeshi Kawasaki
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