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Diffusion and clustering of lattice vacancies in silicon as a function of temperature, concentration, and interaction range are investigated by Kinetic Lattice Monte Carlo simulations. It is found that higher temperatures lead to larger…

Materials Science · Physics 2007-05-23 Benjamin P. Haley , Keith M. Beardmore , Niels Grønbech-Jensen

In the presence of a chemically active particle, a nearby chemically inert particle can respond to a concentration gradient and move by diffusiophoresis. The nature of the motion is studied for two cases: first, a fixed reactive sphere and…

Soft Condensed Matter · Physics 2018-06-25 Shang Yik Reigh , Prabha Chuphal , Snigdha Thakur , Raymond Kapral

Diffusion at solid-liquid interfaces is crucial in many technological and biophysical processes. Although its behavior seems deceivingly simple, recent studies showing passive superdiffusive transport suggest diffusion on surfaces may hide…

Statistical Mechanics · Physics 2016-05-25 Diego Krapf , Grace Campagnola , Kanti Nepal , Olve B. Peersen

On the basis of local nonequilibrium approach, the one-dimensional model of the solute diffusion during rapid solidification of the binary alloy in the semi-infinite volume is considered. Within the scope of the model it is supposed that…

Materials Science · Physics 2009-12-23 G. L. Buchbinder , P. Martaller

Dense suspensions often exhibit a dramatic response to large external deformation. The recent body of work has related this behavior to transition from an unconstrained lubricated to a constrained frictional state. Here, we use numerical…

Soft Condensed Matter · Physics 2023-05-24 Abhinendra Singh , Kuniyasu Saitoh

The diffusion of active microscopic organisms in complex environments plays an important role in a wide range of biological phenomena from cell colony growth to single organism transport. Here, we investigate theoretically and…

Fluid Dynamics · Physics 2018-01-16 Juan L. Aragones , Shahrzad Yazdi , Alfredo Alexander-Katz

We study the effect of confinement on diffusion limited bimolecular reactions within a lattice model where a small number of reactants diffuse amongst a much larger number of inert particles. When the number of inert particles is held…

Soft Condensed Matter · Physics 2013-05-29 Jeremy D. Schmit , Ercan Kamber , Jané Kondev

We modeled the change in the temperature of maximum density (TMD) of a water-like solvent when small amounts of solute are added to the mixture. The solvent is modeled as a two length scales potential, which is known to exhibit water-like…

Soft Condensed Matter · Physics 2023-03-08 Marco A. Habitzreuter , Marcia C. Barbosa

We study the theoretical phase behavior of an asymmetric binary mixture of hard spheres, of which the smaller component is monodisperse and the larger component is polydisperse. The interactions are modelled in terms of the second virial…

Statistical Mechanics · Physics 2019-12-09 Luka Sturtewagen , Erik van der Linden

A new method is introduced allowing to solve exactly the reactions A+A->inert and A+A->A on the 1D lattice with synchronous diffusional dynamics (simultaneous hopping of all particles). Exact connections are found relating densities and…

Condensed Matter · Physics 2010-10-12 Vladimir Privman

Starting from a Zimm model we study selfdiffusion in a solution of crosslinked monomers. We focus on the effects of the hydrodynamic interaction on the dynamics and the critical behaviour at the sol-gel-point. Hydrodynamic interactions…

Statistical Mechanics · Physics 2007-05-23 Matthias Küntzel , Henning Löwe , Peter Müller , Annette Zippelius

The mass transfer of interstitial impurities in a crystalline lattice under the influence of the fast-moving deformation disturbance of the type of a shock wave is considered. The velocity of the movement of the disturbance is supposed to…

Materials Science · Physics 2007-05-23 G. L. Buchbinder

In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…

Materials Science · Physics 2014-05-30 Luis G. V. Gonçalves , José P. Rino

Numerous experimental data on the rapid solidification of binary systems exhibit the formation of metastable solid phases with the initial (nominal) chemical composition. This fact is explained by complete solute trapping leading to…

Materials Science · Physics 2009-11-13 Peter Galenko

We address the dynamics of adsorbed molecules (a fundamental issue in surface physics) within the framework of a Master Equation scheme, and study the diffusion of particles in a finite cubic lattice whose boundaries are at the $z=1$ and…

Statistical Mechanics · Physics 2009-11-10 Jorge A. Revelli , Carlos. E. Budde , Domingo Prato , Horacio S. Wio

We consider one component lattice gases with a local dynamics and a stationary product Bernoulli measure. We give upper and lower bounds on the diffusivity at an equilibrium point depending on the dimension and the local behavior of the…

Probability · Mathematics 2015-06-12 Jeremy Quastel , Benedek Valkó

Heterogeneous distribution of passive and active domains in the chromosome plays a crucial role for its dynamic organization within the cell nucleus. Motivated by that here we investigate the steady-state conformation and dynamics of a…

Soft Condensed Matter · Physics 2024-09-27 Suman Majumder , Subhajit Paul

The influence of a small relative density difference on the displacement of two miscible liquids is studied experimentally in transparent 2D networks of micro channels. Both stable displacements in which the denser fluid enters at the…

Reaction-diffusion systems where transition rates exhibit quenched disorder are common in physical and chemical systems. We study pair reactions on a periodic two-dimensional lattice, including continuous deposition and spontaneous…

Disordered Systems and Neural Networks · Physics 2010-11-10 A. Wolff , I. Lohmar , J. Krug , Y. Frank , O. Biham

Atomic-scale simulations are performed to study the effect of solute segregation on the shear-induced motion of select grain boundaries in the classical $\alpha$-Fe/C system. At shear rates larger than the solute diffusion rate, we observe…

Materials Science · Physics 2013-08-27 Changjian Wang , Moneesh Upmanyu