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Typical density functional theory (DFT) and approximations thereto solve the many-electron ground state problem by working from a numerically efficient non-interacting Kohn-Sham reference system; and benefit from useful minimization…

Chemical Physics · Physics 2025-04-02 Tim Gould

We derive the Mode Coupling Theory (MCT) of the glass transition as a Landau theory, formulated as an expansion of the exact dynamical equations in the difference between the correlation function and its plateau value. This sheds light on…

Statistical Mechanics · Physics 2015-05-13 A. Andreanov , G. Biroli , J. -P. Bouchaud

By means of computer simulations and solution of the equations of the Mode Coupling Theory (MCT), we investigate the role of the intramolecular barriers on several dynamic aspects of non-entangled polymers. The investigated dynamic range…

Soft Condensed Matter · Physics 2015-05-18 Marco Bernabei , Angel J. Moreno , Emanuela Zaccarelli , Francesco Sciortino , Juan Colmenero

We numerically investigate the correlation function, the response and the breakdown of the Fluctuation-Dissipation Theorem (FDT) in active particles close to the motility-induced critical point. We find a strong FDT violation in the short…

Soft Condensed Matter · Physics 2022-03-16 Claudio Maggi , Nicoletta Gnan , Matteo Paoluzzi , Emanuela Zaccarelli , Andrea Crisanti

We solve a non-equilibrium statistical mechanics problem exactly, namely, the single-file dynamics of N hard-core interacting particles (the particles cannot pass each other) of size \Delta diffusing in a one dimensional system of finite…

Statistical Mechanics · Physics 2009-12-22 Ludvig Lizana , Tobias Ambjornsson

In equilibrium, the fluctuation-dissipation theorem (FDT) expresses the response of an observable to a small perturbation by a correlation function of this variable with another one that is conjugate to the perturbation with respect to…

Statistical Mechanics · Physics 2010-10-13 Udo Seifert , Thomas Speck

Recent efforts to deal with the complexities of the liquid state, particularly those of glassforming systems, have focused on the "energy landscape" as a means of dealing with the collective variables problem [1]. The "basins of attraction"…

Disordered Systems and Neural Networks · Physics 2007-05-23 L. -M. Martinez , C. A. Angell

A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle…

Soft Condensed Matter · Physics 2009-11-11 Thomas Ihle , Erkan Tuzel , Daniel M. Kroll

A density functional theory for a macroion suspension is examined, where the excess free energy corresponds to the macroion self energy arising from the polarisation of the supporting electrolyte solution. This is treated within a…

Soft Condensed Matter · Physics 2007-05-23 Patrick B. Warren

We theoretically study Langevin systems with a tilted periodic potential. It has been known that the ratio $\Theta$ of the diffusion constant to the differential mobility is not equal to the temperature of the environment (multiplied by the…

Statistical Mechanics · Physics 2009-11-10 Kumiko Hayashi , Shin-ichi Sasa

The structural relaxations of a dense, binary mixture of charged hard spheres are studied using the Mode Coupling Theory (MCT). Qualitative differences to non--ionic systems are shown to result from the long--range Coulomb interaction and…

Condensed Matter · Physics 2007-05-23 Matthias Fuchs

A system of $N$ particles in a chemical medium in $\mathbb{R}^{d}$ is studied in a discrete time setting. Underlying interacting particle system in continuous time can be expressed as \begin{eqnarray} dX_{i}(t) &=&[-(I-A)X_{i}(t) +…

Probability · Mathematics 2017-01-10 Abhishek Pal Majumder

A complex (dusty) plasma system is well known as a paradigmatic model for studying the kinetics of solid-liquid phase transitions in inactive condensed matter. At the same time, under certain conditions a complex plasma system can also…

Thermal fluctuations constantly and evenly excite all vibrational modes in an equilibrium crystal. As the temperature rises, these fluctuations promote the formation of defects and eventually melting. In active solids, the self-propulsion…

Soft Condensed Matter · Physics 2024-09-25 Helena Massana-Cid , Claudio Maggi , Nicoletta Gnan , Giacomo Frangipane , Roberto Di Leonardo

We give a brief review of violations of the fluctuation-dissipation theorem (FDT) in out-of-equilibrium systems; in mean field scenarios the corresponding fluctuation-dissipation (FD) plots can, in the limit of long times, be used to define…

Statistical Mechanics · Physics 2007-05-23 P Sollich , S Fielding , P Mayer

We study a class of non-equilibrium lattice models describing local redistributions of a globally conserved quantity, which is interpreted as an energy. A particular subclass can be solved exactly, allowing to define a statistical…

Statistical Mechanics · Physics 2007-05-23 Eric Bertin , Olivier Dauchot , Michel Droz

The recently developed Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) is investigated for a wide range of model parameters including the parameter m representing the chain length and the thermodynamic temperature T and…

Soft Condensed Matter · Physics 2009-11-11 L. Yelash , M. Mueller , W. Paul , K. Binder

Numerical solutions of the mode-coupling theory (MCT) equations for a hard-sphere fluid confined between two parallel hard walls are elaborated. The governing equations feature multiple parallel relaxation channels which significantly…

Soft Condensed Matter · Physics 2020-08-05 Gerhard Jung , Michele Caraglio , Lukas Schrack , Thomas Franosch

Collections of self-propelled particles that move persistently by continuously consuming free energy are a paradigmatic example of active matter. In these systems, unlike Brownian "hot colloids", the breakdown of detailed balance yields a…

Soft Condensed Matter · Physics 2018-09-12 Suraj Shankar , M. Cristina Marchetti

We investigate the thermodynamic properties of a single inertial probe driven into a nonequilibrium steady-state by random collisions with self-propelled active walkers. The probe and walkers are confined within a gravitational harmonic…

Statistical Mechanics · Physics 2026-01-13 Dima Boriskovsky , Rémi Goerlich , Benjamin Lindner , Yael Roichman