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We consider the geometry relaxation of an isolated point defect embedded in a homogeneous crystalline solid, within an atomistic description. We prove a sharp convergence rate for a periodic supercell approximation with respect to uniform…

Numerical Analysis · Mathematics 2018-11-22 Julian Braun , Christoph Ortner

We consider a tight binding model for localised crystalline defects with electrons in the canonical ensemble (finite electronic temperature) and nuclei positions relaxed according to the Born--Oppenheimer approximation. We prove that the…

Mathematical Physics · Physics 2017-09-12 Huajie Chen , Jianfeng Lu , Christoph Ortner

The features for the unsteady process of thermal equilibration ("the fast motions") in a one-dimensional harmonic crystal lying in a viscous environment (e.g., a gas) are under investigation. It is assumed that initially the displacements…

Statistical Mechanics · Physics 2021-02-16 Serge N. Gavrilov , Anton M. Krivtsov

A one-dimensional long-range model of classical rotators with an extended degree of complexity, as compared to paradigmatic long-range systems, is introduced and studied. Working at constant density, in the thermodynamic limit one can prove…

Statistical Mechanics · Physics 2015-09-03 Alessio Turchi , Duccio Fanelli , Xavier Leoncini

This work inspects the thermally activated transfer of solute particles across the interface between two interstitial solid solution phases that equilibrate internally by fast diffusion on conserved arrays of sites. When each phase is…

Materials Science · Physics 2026-01-30 Jörg Weissmüller

A hallmark of a thermodynamic phase transition is the qualitative change of system thermodynamic properties such as energy and heat capacity. On the other hand, no phase transition is thought to operate in the supercritical state of matter…

Statistical Mechanics · Physics 2020-04-13 L. Wang , C. Yang , M. T. Dove , V. V. Brazhkin , K. Trachenko

We analyse the finite-size corrections to the free energy of crystals with a fixed center of mass. When we explicitly correct for the leading ($\ln N/N$) corrections, the remaining free energy is found to depend linearly on 1/N.…

Statistical Mechanics · Physics 2009-10-31 J. M. Polson , E. Trizac , S. Pronk , D. Frenkel

It has been recently shown that one can understand the Prigogine-Defay ratio at the glass transition in terms of freezing into one of the many inherent states of the undercooled liquid. In the present paper, the treatment is extended to the…

Disordered Systems and Neural Networks · Physics 2016-03-21 U. Buchenau

We introduce a simple zero-range process with constant rates and one fast rate for a particular occupation number, which diverges with the system size. Surprisingly, this minor modification induces a condensation transition in the…

Probability · Mathematics 2025-01-07 Watthanan Jatuviriyapornchai , Stefan Grosskinsky

We show that in any relativistic system, entanglement entropy obeys a speed limit set by the entanglement in thermal equilibrium. The bound is derived from inequalities on relative entropy with respect to a thermal reference state. Thus the…

High Energy Physics - Theory · Physics 2015-12-10 Thomas Hartman , Nima Afkhami-Jeddi

The presence of defects in solids formed by active particles breaks their discrete translational symmetry. As a consequence, many of their properties become space-dependent and different from those characterizing perfectly ordered…

Statistical Mechanics · Physics 2023-11-08 Lorenzo Caprini , Hartmut Löwen , Umberto Marini Bettolo Marconi

Zero-range processes with decreasing jump rates are known to exhibit condensation, where a finite fraction of all particles concentrates on a single lattice site when the total density exceeds a critical value. We study such a process on a…

Probability · Mathematics 2018-04-26 Inés Armendáriz , Stefan Grosskinsky , Michail Loulakis

A free-energy functional that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to investigate the freezing of a system of hard spheres into crystalline and amorphous…

Soft Condensed Matter · Physics 2015-05-27 Swarn Lata Singh , Atul S. Bharadwaj , Yashwant Singh

Thermodynamics is traditionally constrained to the study of macroscopic systems whose energy fluctuations are negligible compared to their average energy. Here, we push beyond this thermodynamic limit by developing a mathematical framework…

Quantum Physics · Physics 2018-11-28 Christopher T. Chubb , Marco Tomamichel , Kamil Korzekwa

Static and dynamical properties of elastic phase transitions under the influence of short--range defects, which locally increase the transition temperature, are investigated. Our approach is based on a Ginzburg--Landau theory for…

Condensed Matter · Physics 2016-08-31 M. Bulenda , F. Schwabl , U. C. Täuber

We formulate a model for a point defect embedded in a homogeneous multilattice crystal with an empirical interatomic potential interaction. Under a natural, phonon stability assumption we quantify the decay of the long-range elastic fields…

Analysis of PDEs · Mathematics 2016-10-03 Derek Olson , Christoph Ortner

We study the hydrodynamic limits of the simple exclusion processes and the zero range processes on crystal lattices. For a periodic realization of crystal lattice, we derive the hydrodynamic limit for the exclusion processes and the zero…

Probability · Mathematics 2020-04-21 Zehao Guan

We give evidence of a clear structural signature of the glass transition, in terms of a static correlation length with the same dependence on the system size which is typical of critical phenomena. Our approach is to introduce an external,…

Statistical Mechanics · Physics 2010-06-25 Majid Mosayebi , Emanuela Del Gado , Patrick Ilg , Hans Christian Ottinger

Condensation occurs in nonequilibrium steady states when a finite fraction of particles in the system occupies a single lattice site. We study condensation transitions in a one-dimensional zero-range process with a single defect site. The…

Statistical Mechanics · Physics 2009-11-10 A. G. Angel , M. R. Evans , D. Mukamel

A thermodynamic model describing phase transitions with thermal memory, in terms of an entropy equation and a momentum balance for the microforces, is adressed. Convergence results and error estimates are proved for the related…

Analysis of PDEs · Mathematics 2015-01-09 Elena Bonetti , Pierluigi Colli , Gianni Gilardi
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