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Adsorption of water vapor in nanoporous carbons is rather complex due to an interplay between the pore structure and surface chemistry of these materials. Deciphering the mechanism of adsorption requires the knowledge of the spatial…

Using computer simulations, we study a membrane of parallel narrow pores filled with one-dimensional wires of hydrogen-bonded water molecules. We show that such a membrane is equivalent to a system of effective charges located at opposite…

Computational Physics · Physics 2018-05-24 Georg Menzl , Jürgen Köfinger , Christoph Dellago

We demonstrate a non-stereoscopic, video-based particle tracking system with optical tweezers to study fluid flow in 3D in the vicinity of glass nanopores. In particular, we used the Quadrant Interpolation algorithm to extend our…

Fluid Dynamics · Physics 2022-05-25 Jeffrey Mc Hugh , Alice L. Thorneywork , Kurt Andresen , Ulrich F. Keyser

This work revisits capillary filling dynamics in the regime of nanometric to subnanometric channels. Using molecular dynamics simulations of water in carbon nanotubes, we show that for tube radii below one nanometer, both the filling…

Fluid Dynamics · Physics 2016-03-28 Simon Gravelle , Christophe Ybert , Lydéric Bocquet , Laurent Joly

Beyond well-documented confinement and surface effects arising from the large internal surface and severely confining porosity of nanoporous hosts, the transport of nanoconfined fluids remains puzzling by many aspects. With striking…

Chemical Physics · Physics 2023-06-09 Wanda Kellouai , Jean-Louis Barrat , Patrick Judeinstein , Marie Plazanet , Benoit Coasne

We investigate transport through a tunnelling junction between an uncorrelated metallic lead and a Luttinger liquid when the latter is subjected to a time dependent perturbation. The tunnelling current as well as the electron energy…

Strongly Correlated Electrons · Physics 2009-11-07 Andrei Komnik , Alexander O. Gogolin

We consider ion transport through protein ion channels in lipid membranes and water-filled nanopores in silicon films. It is known that, due to the large ratio of dielectric constants of water and the surrounding material, an ion placed…

Soft Condensed Matter · Physics 2009-11-11 J. Zhang , A. Kamenev , B. I. Shklovskii

We use molecular simulations of an ionic liquid in contact with a range of nanoporous carbons to investigate correlations between ion size, pore size, pore topology and properties of the adsorbed ions. We show that diffusion coefficients…

Materials Science · Physics 2020-02-21 El Hassane Lahrar , Anouar Belhboub , Patrice Simon , Céline Merlet

Theoretical and experimental investigations of water vapor interaction with porous materials are carried out both at the macro level and at the micro level. At the macro level, the influence of the arrangement structure of individual pores…

Fluid Dynamics · Physics 2018-05-08 E. G. Nikonov , M. Pavluš , M. Popovičová

Ion channels regulate many essential properties of biological cells, especially the membrane potential. Despite decades of efforts on artificial channels, it remains a great challenge to mimic the dipole potential-an indispensable…

We investigate the drying dynamics of porous media with two pore diameters separated by several orders of magnitude. Nanometer-sized pores at the edge of our samples prevent air entry, while drying proceeds by heterogeneous nucleation of…

Soft Condensed Matter · Physics 2014-10-01 Olivier Vincent , David A. Sessoms , Erik J. Huber , Jules Guioth , Abraham D. Stroock

In this work, we studied the wetting behavior of impinged and stagnant supercooled water nanodroplet at the atomistic scale using molecular dynamics simulations. We show that water droplet represents a retraction behavior from surface…

Chemical Physics · Physics 2019-08-05 Amir Afshar , Dong Meng

A 1D model study of charge transport in nano-devices is made by comparing multi-configuration time dependent Hartree-Fock and frozen core calculations. The influence of exchange and Coulomb correlation on the tunneling current is…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 Zhongxi Zhang , C. F. Destefani , Chris McDonald , Thomas Brabec

Nanofluidics has firmly established itself as a new field in fluid mechanics, as novel properties have been shown to emerge in fluids at the nanometric scale. Thanks to recent developments in fabrication technology, artificial nanofluidic…

Fluid Dynamics · Physics 2020-12-01 Nikita Kavokine , Roland R. Netz , Lydéric Bocquet

Translocation through a nanopore is a new experimental technique to probe physical properties of biomolecules. A bulk of theoretical and computational work exists on the dependence of the time to translocate a single unstructured molecule…

Biomolecules · Quantitative Biology 2009-05-04 Malcolm McCauley , Robert Forties , Ulrich Gerland , Ralf Bundschuh

Nanometre-scale pores and capillaries have long been studied because of their importance in many natural phenomena and their use in numerous applications. A more recent development is the ability to fabricate artificial capillaries with…

We present model equations for the trapping and accumulation of particles in a short cylindrical channel with nanostructured inner walls when a fluid passes through, carrying a moderate load of impurities. The basic ingredient of the model…

Mesoscale and Nanoscale Physics · Physics 2015-03-19 M. V. Ramallo

It has been suggested that microtubules and other cytoskeletal filaments may act as electrical transmission lines. An electrical circuit model of the microtubule is constructed incorporating features of its cylindrical structure with…

Subcellular Processes · Quantitative Biology 2010-06-28 Holly Freedman , Vahid Rezania , Avner Priel , Eric Carpenter , Sergei Y. Noskovd , Jack A. Tuszynski

The non-perturbation theory of electronic dynamic conductivity for open two-barrier resonance tunnel structure is established for the first time within the model of rectangular potentials and different effective masses of electrons in the…

Mesoscale and Nanoscale Physics · Physics 2012-02-22 M. V. Tkach , Ju. O. Seti , O. M. Voitsekhivska

The description of electron-electron interactions in transport problems is both analytically and numerically difficult. Here we show that a much simpler description of electron transport in the presence of interactions can be achieved in…

Strongly Correlated Electrons · Physics 2009-11-11 Roberto D'Agosta , Massimiliano Di Ventra