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We investigate the thermodynamics and kinetics of a hydrogen interstitial in magnetic {\alpha}-iron, taking account of the quantum fluctuations of the proton as well as the anharmonicities of lattice vibrations and hydrogen hopping. We show…

Materials Science · Physics 2018-06-06 Bingqing Cheng , Anthony T. Paxton , Michele Ceriotti

We perform molecular dynamics simulations using the extended simple point charge SPC/E water model in order to investigate the dynamical behavior of supercooled-stretched water. We focus on the behavior of the translational diffusion…

Statistical Mechanics · Physics 2007-05-23 P. A. Netz , F. Starr , M. C. Barbosa , H. Eugene Stanley

We investigate single-particle diffusion in a two-state Langevin model where the friction coefficient randomly switches between low-friction (liquid-like) and high-friction (glassy-like) states. The dynamics are governed by the ratio…

Chemical Physics · Physics 2025-12-03 Fivos Perakis , Takeshi Kawasaki , Shinji Saito

We present a general mechanism to establish the existence of diffusing orbits in a large class of nearly integrable Hamiltonian systems. Our approach relies on successive applications of the `outer dynamics' along homoclinic orbits to a…

Dynamical Systems · Mathematics 2017-04-26 Marian Gidea , Rafael de la Llave , Tere Seara

Molecular dynamics simulations are used to study the mechanism and kinetics of hydrated electron diffusion. The electron center of mass is found to exhibit Brownian-type behavior with a diffusion coefficient considerably greater than that…

Chemical Physics · Physics 2012-11-06 Kafui A. Tay , François-Xavier Coudert , Anne Boutin

The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must…

Materials Science · Physics 2017-12-06 J. S. Langer

In this work we study the transport properties of non-interacting overdamped particles, moving on tilted disordered potentials, subjected to Gaussian white noise. We give exact formulas for the drift and diffusion coefficients for the case…

Statistical Mechanics · Physics 2014-09-04 Raul Salgado-Garcia

There are three basic processes that determine hopping transport: (a) hopping between normally empty sites (i.e. having exponentially small occupation numbers at equilibrium); (b) hopping between normally occupied sites, and (c) transitions…

Disordered Systems and Neural Networks · Physics 2015-06-19 Oded Agam , Igor L. Aleiner

Systems with a high degree of size polydispersity are becoming standard in the computational study of deeply supercooled liquids. In this work we perform a systematic analysis of continuously polydisperse fluids as a function of the degree…

Soft Condensed Matter · Physics 2023-09-06 Corentin C. L. Laudicina , Ilian Pihlajamaa , Liesbeth M. C. Janssen

The nature of the transition from the quantum tunneling regime at low temperatures to the thermal hopping regime at high temperatures is investigated analytically in scalar field theory. An analytical bounce solution is presented, which…

High Energy Physics - Theory · Physics 2009-10-31 Hatem Widyan , A. Mukherjee , N. Panchapakesan , R. P. Saxena

Demixing of binary fluids subjected to slow temperature ramps shows repeated waves of nucleation which arise as a consequence of the competition between generation of supersaturation by the temperature ramp and relaxation of supersaturation…

Statistical Mechanics · Physics 2012-10-16 Izabella J. Benczik , Jürgen Vollmer

Droplet spreading is ubiquitous and plays a significant role in liquid-based energy systems, thermal management devices, and microfluidics. While the spreading of non-volatile droplets is quantitatively understood, the spreading and flow…

Fluid Dynamics · Physics 2023-08-24 Zhenying Wang , George Karapetsas , Prashant Valluri , Chihiro Inoue

For an $n$-element subset $U$ of $\mathbb{Z}^2$, select $x$ from $U$ according to harmonic measure from infinity, remove $x$ from $U$, and start a random walk from $x$. If the walk leaves from $y$ when it first enters $U$, add $y$ to $U$.…

Probability · Mathematics 2021-10-27 Jacob Calvert , Shirshendu Ganguly , Alan Hammond

The nature of diffusion is usually studied for particles or time-evolving systems. Similar in principle, such studies can be conducted by tracking how a given function of observable properties evolves over time-akin to the evolution of…

Statistical Mechanics · Physics 2026-03-10 M. Süzen

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

A new supersymmetric model for electrons with generalized hopping terms and Hubbard interaction on a one-dimensional lattice is solved by means of the Bethe Ansatz. We investigate the phase diagram of this model by studying the ground state…

Condensed Matter · Physics 2009-10-28 Gerald Bedürftig , Holger Frahm

The spin-diffusion constant of the 2D $t-J$ model is calculated for the first time using an analytical approach at high temperatures and a recently-developed numerical method based on the Lanczos technique combined with random sampling in…

Condensed Matter · Physics 2009-10-22 J. Bonca , J. Jaklic

In this paper, we introduce a new class of processes which are diffusions with jumps driven by a multivariate nonlinear Hawkes process. Our goal is to study their long-time behavior. In the case of exponential memory kernels for the…

Probability · Mathematics 2020-01-09 Charlotte Dion , Sarah Lemler , Eva Löcherbach

We analyse the dynamics of a two dimensional system of interacting active dumbbells. We characterise the mean-square displacement, linear response function and deviation from the equilibrium fluctuation-dissipation theorem as a function of…

Inspired by problems in biochemical kinetics, we study statistical properties of an overdamped Langevin process whose friction coefficient depends on the state of a similar, unobserved process. Integrating out the latter, we derive the long…

Statistical Mechanics · Physics 2009-08-13 Golan Bel , Ilya Nemenman