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From first-principles approaches, we illustrate that the current-induced forces and the selection rule for inelastic effects are highly relevant to the current density in an asymmetric molecular junction. The curved flow of current…

Mesoscale and Nanoscale Physics · Physics 2011-06-10 Bailey C. Hsu , Allen Tseng , Yu-Chang Chen

Ionic current rectification (ICR) of charged conical nanopores has various applications in fields including nanofluidics, bio-sensing, and energy conversion, whose function is closely related to the dynamic response of nanopores. The…

Chemical Physics · Physics 2024-10-29 Zhe Liu , Long Ma , Hongwen Zhang , Jiakun Zhuang , Jia Man , Zuzanna S. Siwy , Yinghua Qiu

We investigate the concept of molecular-sized outward-swinging gate, which allows for entropy decrease in an isolated system. The theoretical analysis, the Monte Carlo simulation, and the direct solution of governing equations all suggest…

Soft Condensed Matter · Physics 2021-12-24 Yu Qiao , Zhaoru Shang , Rui Kou

Nanoelectromechanical systems (NEMS) are devices integrating electrical and mechanical functionality on the nanoscale. Because of individual electron tunneling, such systems can show rich self-induced, highly non-linear dynamics. We show…

Mesoscale and Nanoscale Physics · Physics 2021-10-13 Christopher W. Wächtler , Alan Celestino , Alexander Croy , Alexander Eisfeld

Ionic Coulomb blockade is one of the mesoscopic effects in ion transport revealing the quantized nature of ionic charges, which is of crucial importance to our understanding of the sub-continuum transport in nanofluidics and the mechanism…

Mesoscale and Nanoscale Physics · Physics 2020-12-29 Fanfan Chen , Zonglin Gu , Chunxiao Zhao , Yuang Chen , Xiaowei Jiang , Zhi He , Yuxian Lu , Ruhong Zhou , Jiandong Feng

The length-scale dependence of the dynamic entropy is studied in a molecular dynamics simulation of a binary Lennard-Jones liquid above the mode-coupling critical temperature $T_c$. A number of methods exist for estimating the entropy of…

Soft Condensed Matter · Physics 2009-10-31 Paolo Allegrini , Jack F. Douglas , Sharon C. Glotzer

Recent investigations have revealed that ion transport from aqueous electrolytes to ion-selective surfaces is subject to electroconvective instability that stems from coupling of hydrodynamics with electrostatic forces. Electroconvection is…

Fluid Dynamics · Physics 2016-05-18 Elif Karatay , Matthias Wessling , Ali Mani

We present a quaternion inspired formalism specifically developed to evaluate the intensity of the electrical current that traverses a single molecule connected to two semi-infinite electrodes as the applied external bias is varied. The…

Mesoscale and Nanoscale Physics · Physics 2012-01-18 Augusto C. L. Moreira , Celso P. de Melo

Water molecules, confined in a carbon nanotube, were monitored using molecular dynamics simulation. Spontaneous directional transportation during a long timescale was observed in the symmetrical nanochannel by a ratchet-like mechanism. This…

Biological Physics · Physics 2008-03-21 Rongzheng Wan , Hangjun Lu , Jinyuan Li , Jingdong Bao , Jun Hu , Haiping Fang

Theoretical and experimental values to date for the resistances of single molecules commonly disagree by orders of magnitude. By reformulating the transport problem using boundary conditions suitable for correlated many-electron systems, we…

Condensed Matter · Physics 2007-05-23 P. Delaney , J. C. Greer

The number of precise conductance measurements in nanopores is quickly growing. In order to clarify the dominant mechanisms at play and facilitate the characterization of such systems for which there is still no clear consensus, we propose…

Soft Condensed Matter · Physics 2018-07-25 Manoel Manghi , John Palmeri , Khadija Yazda , Francois Henn , Vincent Jourdain

We present a rigorous mathematical approach of two species channel transport within the framework of stochastic thermodynamics, which explains the impact of interparticle in-channel interactions. Different from mean field approaches, the…

Statistical Mechanics · Physics 2020-04-23 Wolfgang Rudolf Bauer

We present a simple one-dimensional trapping model prompted by the problem of ion current across biological membranes. The trap is modeled mimicking the ionic channel membrane behaviour. Such voltage-sensitive channels are open or closed…

Statistical Mechanics · Physics 2009-10-31 Alejandro D. Sanchez , Jorge A. Revelli , Horacio S. Wio

We study analytically and numerically the overdamped, deterministic dynamics of a chain of {\it charged}, interacting particles driven by a longitudinal alternating electric field and additionally interacting with a smooth ratchet…

Soft Condensed Matter · Physics 2016-08-16 S. I. Denisov , E. S. Denisova , P. Hänggi

We derive a bound on generalized currents for Langevin systems in terms of the total entropy production in the system and its environment. For overdamped dynamics, any generalized current is bounded by the total rate of entropy production.…

Statistical Mechanics · Physics 2018-06-06 Andreas Dechant , Shin-ichi Sasa

We summarize some results of geometric measure theory concerning rectifiable sets and measures. Combined with the entropic chain rule for disintegrations (Vigneaux, 2021), they account for some properties of the entropy of rectifiable…

Information Theory · Computer Science 2023-06-02 Juan Pablo Vigneaux

The transport of suspended Brownian particles dc-driven along corrugated narrow channels is numerically investigated in the regime of finite damping. We show that inertial corrections cannot be neglected as long as the width of the channel…

Chemical Physics · Physics 2012-08-29 P. K. Ghosh , P. Hanggi , F. Marchesoni , F. Nori , G. Schmid

Pumping of electrons through nano-scale devices is one of the fascinating achievements in the field of nano-science with a wide range of applications. To optimize the performance of pumps, operating them at high frequencies is mandatory. We…

Mesoscale and Nanoscale Physics · Physics 2012-08-07 Alexander Croy , Ulf Saalmann

Autonomous active Brownian ratchets rectify active Brownian particle motion solely by means of a spatially modulated but stationary activity, without external forces. We argue that such ratcheting requires at least a two-dimensional…

Soft Condensed Matter · Physics 2023-05-24 Constantin Rein , Martin Kolář , Klaus Kroy , Viktor Holubec

Measurements of ions in atmospheric air are used to investigate atmospheric electricity and particulate pollution. Commonly studied ion parameters are (1) air conductivity, related to the total ion number concentration, and (2) the ion…

Instrumentation and Detectors · Physics 2007-05-23 K. L. Aplin