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Chemical reactions involving diffusion of reactants and subsequent chemical fixation steps are generally termed "diffusion-influenced" (DI). Virtually all biochemical processes in living media can be counted among them, together with those…

Chemical Physics · Physics 2016-06-29 Marta Galanti , Duccio Fanelli , Francesco Piazza

The kinetics of a 2A + B2 = 2AB reaction on supported metal catalyst with spillover effects is investigated using Dynamic Monte Carlo simulations. In the presented model A particles can adsorb reversibly on both metal clusters and the…

Chemical Physics · Physics 2007-05-23 Lukasz Cwiklik , Barbara Jagoda-Cwiklik , Marek Frankowicz

Diffusion-limited association reactions are ubiquitous in nature. They are particularly important for biological reactions, where the reaction rates are often determined by the diffusive transport of the molecules on two-dimensional…

Soft Condensed Matter · Physics 2020-10-06 Sumantra Sarkar

While evaporating solvent is a widely used technique to assemble nano-sized objects into desired superstructures, there has been limited work on how the assembled structures are affected by the physical aspects of the process. We present…

Soft Condensed Matter · Physics 2013-11-20 Shengfeng Cheng , Gary S. Grest

We study analytically kinetics of an elementary bimolecular reaction scheme of the Langmuir-Hinshelwood type taking place on a d-dimensional catalytic substrate. We propose a general approach which takes into account explicitly the…

Statistical Mechanics · Physics 2009-10-31 P. Argyrakis , S. F. Burlatsky , E. Clement , G. Oshanin

Starting from our recent chemical master equation derivation of the model of an autocatalytic reaction-diffusion chemical system with reactions $U+2V {\stackrel {\lambda_0}{\rightarrow}}~ 3 V;$ and $V {\stackrel {\mu}{\rightarrow}}~P$, $U…

Statistical Mechanics · Physics 2014-06-24 Fred Cooper , Gourab Ghoshal , Juan Pérez-Mercader

In this work, the effect of fluctuations in a disordered square lattice on diffusion of a test particle is studied using kinetic Monte Carlo simulations. Diffusion is relevant to a wide variety of problems, both within physics and outside…

Statistical Mechanics · Physics 2016-04-15 Robbert-Jan Dikken , Casper D. Versteylen

A simple model of an active colloid consisting of dumbbell-shaped particles that cyclically change their length without propelling themselves is proposed and analyzed. At nanoscales, it represents an idealization for bacterial cytoplasm or…

Adaptation and Self-Organizing Systems · Physics 2020-01-28 Yuki Koyano , Hiroyuki Kitahata , Alexander S. Mikhailov

The diffusivity of tagged particles is demonstrated to be heterogeneous on time scales comparable to or less than the structural relaxation time %taking place at the interparticle distance in a highly supercooled liquid via 3D molecular…

Soft Condensed Matter · Physics 2009-10-31 Ryoichi Yamamoto , Akira Onuki

A number of results for reactions involving subdiffusive species all with the same anomalous exponent gamma have recently appeared in the literature and can often be understood in terms of a subordination principle whereby time t in…

Statistical Mechanics · Physics 2009-11-11 S. B. Yuste , Katja Lindenberg

Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture…

Soft Condensed Matter · Physics 2015-09-16 Roberto Cerbino , Yifei Sun , Aleksandar Donev , Alberto Vailati

Photoexcitation by ultrashort laser pulses plays a crucial role in controlling reaction pathways, creating nonequilibrium material properties, and offering a microscopic view of complex dynamics at the molecular level. The photo response…

We perform molecular dynamics simulations to understand the translational and rotational diffusion of Janus nanoparticles at the interface between two immiscible fluids. Considering spherical particles with different affinity to fluid…

Fluid Dynamics · Physics 2016-05-04 Hossein Rezvantalab , German Drazer , Shahab Shojaei-Zadeh

Using molecular dynamics simulations, we study the motion of a closely fitting nanometer-size solid sphere in a fluid-filled cylindrical nanochannel at low Reynolds numbers and for a wide range of fluid-solid interactions corresponding to…

Soft Condensed Matter · Physics 2007-05-23 German Drazer , Boris Khusid , Joel Koplik , Andreas Acrivos

Using molecular dynamics simulations, we show that an asymmetrically shaped nanoparticle in dilute solution possesses a spontaneously curved trajectory within finite time interval, instead of the generally expected random walk. This…

Soft Condensed Matter · Physics 2016-10-13 Nan Sheng , YuSong Tu , Pan Guo , RongZheng Wan , ZuoWei Wang , HaiPing Fang

We discuss a theoretical model for bidirectional cargo transport in biological cells, which is driven by teams of molecular motors and subject to thermal fluctuations. The model describes explicitly the directed motion of the molecular…

Biological Physics · Physics 2017-09-20 Sarah Klein , Cécile Appert-Rolland , Ludger Santen

Interfacial nucleation is the dominant process of dislocation generation during the plastic deformation of nano-crystalline materials. Solute additions intended to stabilize nano-crystalline metals against grain growth, may segregate to the…

Materials Science · Physics 2017-10-26 Valery Borovikov , Mikhail I. Mendelev , Alexander H. King

The reversible reactions like A+B <-> C in the many-component diffusive system affect the diffusive properties of the constituents. The effective conjugation of irreversible processes of different dimensionality takes place due to the…

Other Condensed Matter · Physics 2007-05-23 Serge Shpyrko , Vladimir M. Sysoev

We study dynamics of pattern formation in systems belonging to class of reaction-Cattaneo models including persistent diffusion (memory effects of the diffusion flux). It was shown that due to the memory effects pattern seletion process are…

Microscopic dynamical aspects of the propulsion of nanomotors by self-phoretic mechanisms are considered. Propulsion by self-diffusiophoresis relies on the mechanochemical coupling between the fluid velocity field and the concentration…

Statistical Mechanics · Physics 2018-01-04 Pierre Gaspard , Raymond Kapral