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In this work, we report a new method to simulate active Brownian particles (ABPs) in molecular dynamics (MD) simulations. Immersed in a fluid, each ABP consists of a head particle and a spherical phantom region of fluid where the flagellum…

Soft Condensed Matter · Physics 2019-02-15 Liya Wang , Xinpeng Xu , Zhigang Li , Tiezheng Qian

We explore the changes in static structure of a two-dimensional system of active Brownian particles (ABP) with hard-disk interactions, using event-driven Brownian dynamics simulations. In particular, the effect of the self-propulsion…

Statistical Mechanics · Physics 2017-12-27 Nadine de Macedo Biniossek , Hartmut Löwen , Thomas Voigtmann , Frank Smallenburg

Active gels perform key mechanical roles inside the cell, such as cell division, motion and force sensing. The unique mechanical properties required to perform such functions arise from the interactions between molecular motors and…

Soft Condensed Matter · Physics 2022-08-16 Andrés Córdoba

The transport of interacting Brownian particles in a periodic asymmetric (ratchet) substrate is studied numerically. In a zero-temperature regime, the system behaves as a reversible step motor, undergoing multiple sign reversals of the…

Statistical Mechanics · Physics 2008-12-31 Rogério M. da Silva , Clécio C. de Souza Silva , Sérgio Coutinho

Diffusion and rectification of Brownian particles powered by a rotating wheel are numerically investigated in a two-dimensional channel. The nonequilibrium driving comes from the rotating wheel, which can break thermodynamical equilibrium…

Statistical Mechanics · Physics 2017-07-24 Bao-quan Ai

In recent years, several artificial molecular motors driven and controlled by electric currents have been proposed. Similar to Brownian machines, these systems work by turning random inelastic tunneling events into a directional rotation of…

Mesoscale and Nanoscale Physics · Physics 2022-10-31 Federico D. Ribetto , Sebastián E. Deghi , Hernán L. Calvo , Raúl A. Bustos-Marún

Properties of transport of molecular motors are investigated. A simplified model based on the concept of Brownian ratchets is applied. We analyze a stochastic equation of motion by means of numerical methods. The transport is systematically…

Statistical Mechanics · Physics 2011-12-07 Lukasz Machura , Marcin Kostur , Jerzy Luczka

A model of Brownian particles with the ability to take up energy from the environment, to store it in an internal depot, and to convert internal energy into kinetic energy of motion, is discussed. The general dynamics outlined in Sect. 2 is…

Statistical Mechanics · Physics 2009-10-31 Benno Tilch , Frank Schweitzer , Werner Ebeling

Molecular motors convert chemical energy into mechanical work while operating in an environment dominated by Brownian motion. The aim of this paper is to explore the flow of energy between the molecular motors and its surroundings, in…

Statistical Mechanics · Physics 2011-05-06 Yunxin Zhang

We investigate the synchronization of active rotors. A rotor is composed of a free-rotating arm with a particle that releases a surface-active chemical compound. It exhibits self-rotation due to the surface tension gradient originating from…

Pattern Formation and Solitons · Physics 2023-06-28 Hiroyuki Kitahata , Yuki Koyano

We investigate a model of a stochastic engine operating cyclically at constant bath temperature, which consists of an overdamped Brownian harmonic oscillator that plays the role of working substance and is elastically coupled to an active…

Statistical Mechanics · Physics 2025-09-16 Erick Efrain Cote-Valencia , Juan Ruben Gomez-Solano

We consider a model of active Brownian particles with velocity-alignment in two spatial dimensions with passive and active fluctuations. Hereby, active fluctuations refers to purely non-equilibrium stochastic forces correlated with the…

Statistical Mechanics · Physics 2016-05-02 Robert Grossmann , Lutz Schimansky-Geier , Pawel Romanczuk

The problem of Brownian motion in a periodic potential, under the influence of external forcing, which is either random or periodic in time, is studied in this paper. Multiscale techniques are used to derive general formulae for the steady…

Statistical Mechanics · Physics 2007-05-23 G. A. Pavliotis

We discuss an autonomous motor based on a Brownian particle driven from thermal equilibrium by periodic in time variation of the internal potential through which the particle interacts with molecules of the surrounding thermal bath. We…

Statistical Mechanics · Physics 2015-06-23 A. V. Plyukhin

We calculate analytically the stochastic thermodynamic properties of an isothermal Brownian engine driven by a duo of time-periodic forces, including its Onsager coefficients, the stochastic work of each force, and the corresponding…

Statistical Mechanics · Physics 2016-10-19 Karel Proesmans , Yannik Dreher , Momčilo Gavrilov , John Bechhoefer , Christian Van den Broeck

A molecular motor is made of either a single macromolecule or a macromolecular complex. Just like their macroscopic counterparts, molecular motors "transduce" input energy into mechanical work. All the nano-motors considered here operate…

Biological Physics · Physics 2013-07-18 Debashish Chowdhury

Transport phenomena in spatially periodic systems far from thermal equilibrium are considered. The main emphasize is put on directed transport in so-called Brownian motors (ratchets), i.e. a dissipative dynamics in the presence of thermal…

Statistical Mechanics · Physics 2009-10-31 Peter Reimann

The same system can exhibit a completely different dynamical behavior when it evolves in equilibrium conditions or when it is driven out-of-equilibrium by, e.g., connecting some of its components to heat baths kept at different…

Statistical Mechanics · Physics 2022-08-09 S. Cerasoli , S. Ciliberto , E. Marinari , G. Oshanin , L. Peliti , L. Rondoni

Brownian Dynamics algorithms are widely used for simulating soft-matter and biochemical systems. In recent times, their application has been extended to the simulation of coarse-grained models of cellular networks in simple organisms. In…

Quantitative Methods · Quantitative Biology 2009-11-13 Marco J. Morelli , Pieter Rein ten Wolde

Nanoparticles with different surface morphologies that straddle the interface between two immiscible liquids are studied via molecular dynamics simulations. The methodology employed allows us to compute the interfacial free energy at…

Soft Condensed Matter · Physics 2016-04-27 Sepideh Razavi , Ilona Kretzschmar , Joel Koplik , Carlos E. Colosqui