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We derive the Ornstein-Zernike equation for molecular crystals of axially symmetric particles and apply the Percus-Yevick approximation to this system. The one-particle orientational distribution function has a nontrivial dependence on the…

Statistical Mechanics · Physics 2016-08-31 Michael Ricker , Rolf Schilling

Molecular fluids show rich and complicated dynamics close to the glass transition. Some of these observations are related to the fact that translational and orientational degrees of freedom couple in nontrivial ways. A model system which…

Soft Condensed Matter · Physics 2017-08-23 M. Letz , R. Schilling

We investigate the dynamics of a fluid of dipolar hard spheres in its liquid and glassy phase, with emphasis on the microscopic time or frequency regime. This system shows rather different glass transition scenarios related to its rich…

Disordered Systems and Neural Networks · Physics 2009-11-07 T. Theenhaus , R. Schilling , A. Latz , M. Letz

We present a first step toward a microscopic theory for the glass transition in systems with trivial static correlations. As an example we have chosen N infinitely thin hard rods with length L, fixed with their centers on a periodic lattice…

Soft Condensed Matter · Physics 2009-11-07 Rolf Schilling , Grzegorz Szamel

We study the orientational dynamics of infinitely thin hard rods of length L, with the centers-of-mass fixed on a simple cubic lattice with lattice constant a.We approximate the influence of the surrounding rods onto dynamics of a pair of…

Soft Condensed Matter · Physics 2009-11-07 Rolf Schilling , Grzegorz Szamel

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

For hard ellipsoids of revolution we calculate the phase diagram for the idealized glass transition. Our equations cover the glass physics in the full phase space, for all packing fractions and all aspect ratios X$_0$. With increasing…

Soft Condensed Matter · Physics 2009-10-31 M. Letz , R. Schilling , A. Latz

We provide a detailed derivation of the mode-coupling equations for a colloidal liquid confined by two parallel smooth walls. We introduce irreducible memory kernels for the different relaxation channels thereby extending the projection…

Statistical Mechanics · Physics 2020-07-20 Lukas Schrack , Thomas Franosch

We have investigated the glassy behavior of a molecular crystal built up with chloroadamantane molecules. For a simple model of this molecule and a rigid fcc lattice a MD simulation was performed from which we obtained the dynamical…

Soft Condensed Matter · Physics 2009-11-11 M. Ricker , F. Affouard , R. Schilling , M. Descamps

We perform event-driven molecular dynamics simulations of a system composed by uniaxial hard ellipsoids for different values of the aspect-ratio and packing fraction . We compare the molecular orientational-dependent structure factors…

Soft Condensed Matter · Physics 2012-07-06 Cristiano De Michele , Antonio Scala , Rolf Schilling , Francesco Sciortino

To investigate the influence of orientational degrees of freedom onto the dynamics of molecular systems in its supercooled and glassy regime we have solved numerically the mode-coupling equations for hard ellipsoids of revolution. For a…

Disordered Systems and Neural Networks · Physics 2009-11-07 A. Latz , M. Letz , R. Schilling , Th. Theenhaus

The mode-coupling theory for ideal glass transitions in simple systems is generalized to a theory for the glassy dynamics of molecular liquids using the density fluctuations of the sites of the molecule's constituent atoms as the basic…

Soft Condensed Matter · Physics 2009-11-07 S. -H. Chong , W. Gotze

A new theory for dynamics of concentrated colloidal suspensions and the colloidal glass transition is proposed. The starting point is the memory function representation of the density correlation function. The memory function can be…

Soft Condensed Matter · Physics 2009-11-10 Grzegorz Szamel

We consider the stationary state of a fluid comprised of inelastic hard spheres or disks under the influence of a random, momentum-conserving external force. Starting from the microscopic description of the dynamics, we derive a nonlinear…

Statistical Mechanics · Physics 2013-02-25 W. T. Kranz , M. Sperl , A. Zippelius

At the present paper we have computed non-ergodicity paramater from Molecular Dynamics (MD) Simulation data after the mode-coupling theory (MCT) for a glass transition. MCT of dense liquids marks the dynamic glass-transition through a…

Materials Science · Physics 2007-05-23 A. B. Mutiara

We show that the relaxation dynamics near a glass transition with continuous ergodicity breaking can be endowed with a geometric interpretation based on percolation theory. At mean-field level this approach is consistent with the…

Statistical Mechanics · Physics 2014-09-05 Jeferson J. Arenzon , Antonio Coniglio , Annalisa Fierro , Mauro Sellitto

We observed a two-step glass transition in monolayers of colloidal ellipsoids by video microscopy. The glass transition in the rotational degree of freedom was at a lower density than that in the translational degree of freedom. Between the…

Soft Condensed Matter · Physics 2015-05-28 Zhongyu Zheng , Feng Wang , Yilong Han

We clarify the relation between the ergodicity breaking transition predicted by mode-coupling theory and the so-called dynamic transition predicted by the static replica approach. Following Franz and Parisi [Phys. Rev. Lett. 79, 2486…

Statistical Mechanics · Physics 2015-05-18 Grzegorz Szamel

Exploring structural order in disordered systems including liquids and glasses is an intriguing but challenging issue in condensed matter physics. Here we construct a new parameter based on the angular distribution function of particles and…

Soft Condensed Matter · Physics 2018-06-11 Xiunan Yang , Wei-Hua Wang , Ke Chen

A molecular theory of the glass transition of network forming liquids is developed using a combination of self-consistent phonon and liquid state approaches. Both the dynamical transition and the entropy crisis characteristic of random…

Condensed Matter · Physics 2009-11-07 Randall W. Hall , Peter G. Wolynes
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