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We propose an efficient ab initio framework to compute the Gibbs energy of the transition state in vacancy-mediated diffusion including the relevant thermal excitations at density-functional-theory level. With the aid of a bespoke…

Materials Science · Physics 2024-10-08 Xi Zhang , Sergiy V. Divinski , Blazej Grabowski

Manipulating point defects for tailored macroscopic properties remains a formidable challenge in materials science. This study demonstrates a proof-of-principle for a universal law involving element Mn, significantly enhancing vacancy…

The excitation-chain theory of the glass transition, proposed in an earlier publication, predicts diverging, super-Arrhenius relaxation times and, {\it via} a similarly diverging length scale, suggests a way of understanding the relations…

Statistical Mechanics · Physics 2009-11-11 J. S. Langer

Following the recent proposal made by Bouttier et al [Phys. Rev. E 76, 041140 (2007)], we study analytically the mobility properties of a single vacancy in the close-packed dimer model on the square lattice. Using the spanning web…

Statistical Mechanics · Physics 2008-11-26 V. S. Poghosyan , V. B. Priezzhev , P. Ruelle

Multiple scattering is a process in which a particle is repeatedly deflected by other particles. In an overwhelming majority of cases, the ensuing random walk can successfully be described through Gaussian, or normal, statistics. However,…

Atomic Physics · Physics 2013-11-04 Martine Chevrollier

It has been shown in experiments that self-climb of prismatic dislocation loops by pipe diffusion plays important roles in their dynamical behaviors, e.g., coarsening of prismatic loops upon annealing, as well as the physical and mechanical…

Materials Science · Physics 2019-05-21 Xiaohua Niu , Yejun Gu , Yang Xiang

The temporal evolution of equilibrium fluctuations for surface steps of monoatomic height is analyzed studying one-dimensional solid-on-solid models. Using Monte Carlo simulations, fluctuations due to periphery-diffusion (PD) as well as due…

Statistical Mechanics · Physics 2014-07-31 Walter Selke

We revisit the color-diffusion algorithm [P. C. Aeberhard et al., Phys. Rev. Lett. 108, 095901 (2012)] in nonequilibrium ab initio molecular dynamics (NE-AIMD), and propose a simple efficient approach for the estimation of monovacancy jump…

Materials Science · Physics 2016-03-25 Davide G. Sangiovanni , Olle Hellman , Björn Alling , Igor A. Abrikosov

Turbulent puffs are ubiquitous in everyday life phenomena. Understanding their dynamics is important in a variety of situations ranging from industrial processes to pure and applied science. In all these fields, a deep knowledge of the…

Fluid Dynamics · Physics 2021-09-01 Andrea Mazzino , Marco E Rosti

We study the nonequilibrium dynamics of quantum jumps in a one-dimensional chain of atoms. Each atom is driven on a strong transition to a short-lived state and on a weak transition to a metastable state. We choose the metastable state to…

Quantum Physics · Physics 2012-06-25 Tony E. Lee , M. C. Cross

It is established that liquid metals exhibit surface layering at the liquid-vapor interface, while dielectric simple systems, like those interacting through Lennard-Jones potentials, show a monotonic decay from the liquid density to that of…

Disordered Systems and Neural Networks · Physics 2009-11-11 Luis E. Gonzalez , David J. Gonzalez

It is generally accepted that the asset price processes contain jumps. In fact, pure jump models have been widely used to model asset prices and/or stochastic volatilities. The question is: is there any statistical evidence from the…

Statistics Theory · Mathematics 2012-06-06 Bing-Yi Jing , Xin-Bing Kong , Zhi Liu

The microscopic model of atomic diffusion is considered to describe the short-range order relaxation kinetics within the f.c.c.-Ni-Fe Permalloys. The model takes into account both the discrete and anisotropic characters of atomic jumps…

Materials Science · Physics 2023-06-09 T. M. Radchenko , V. A. Tatarenko , S. M. Bokoch

We present an experimental study of the movement of individual particles in a layer of vertically shaken granular material. High-speed imaging allows us to investigate the motion of beads within one vibration period. This motion consists…

Statistical Mechanics · Physics 2009-11-10 J. M. Pastor , D. Maza , I. Zuriguel , A. Garcimartin , J. -F. Boudet

We propose a general framework for studying jump-diffusion systems driven by both Gaussian noise and a jump process with state-dependent intensity. Of particular natural interest are the jump locations: the system evaluated at the jump…

Statistical Mechanics · Physics 2018-09-28 Christopher E. Miles , James P. Keener

Mandatory emission trading schemes are being established around the world. Participants of such market schemes are always exposed to risks. This leads to the creation of an accompanying market for emission-linked derivatives. To evaluate…

Pricing of Securities · Quantitative Finance 2010-01-25 K. Borovkov , G. Decrouez , J. Hinz

Droplets bouncing on a vibrated liquid bath open ways to methods of manipulating droplets, creating double emulsion and performing pilot wave model experiments. In this work, we focus on the role of the droplet deformations in the vertical…

Fluid Dynamics · Physics 2015-06-12 Denis Terwagne , François Ludewig , Nicolas Vandewalle , Stéphane Dorbolo

The chemical dynamics scene is the most important application of computer simulation. We show that electrons jump between potential holes of different depths (new molecular orbits, hybrid atomic orbits with different energies) under the…

Quantum Physics · Physics 2023-10-17 Chen Ran , Yuri Ozhigov

We discuss diffusion properties of a dynamical system, which is characterised by long-tail distributions and finite correlations. The particle velocity has the stable L\'evy distribution; it is assumed as a jumping process (the kangaroo…

Statistical Mechanics · Physics 2011-06-21 Tomasz Srokowski

Dynamic jumps in the price and volatility of an asset are modelled using a joint Hawkes process in conjunction with a bivariate jump diffusion. A state space representation is used to link observed returns, plus nonparametric measures of…

Applications · Statistics 2016-03-10 Worapree Maneesoonthorn , Catherine S. Forbes , Gael M. Martin
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