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We study diffusion of colloids on a fluid-fluid interface using particle simulations and fluctuating hydrodynamics. Diffusion on a two-dimensional interface with three-dimensional hydrodynamics is known to be anomalous, with the collective…

Statistical Mechanics · Physics 2018-08-01 R. P. Peláez , F. Balboa Usabiaga , S. Panzuela , Q. Xiao , R. Delgado-Buscalioni , A. Donev

In this article we investigate through molecular dynamics simulations the diffusion behavior of the TIP4P/2005 water when confined in pristine and deformed carbon nanotubes (armchair and zigzag). To analyze different diffusive mechanisms,…

Soft Condensed Matter · Physics 2021-02-03 Bruno H. S. Mendonça , Patricia Ternes , Evy Salcedo , Alan B. de Oliveira , Marcia C. Barbosa

The interaction mechanisms of water with nanoscale geometries remain poorly understood. This study focuses on behaviour of water clusters under varying external electric fields with a particular focus on molecular ferroelectric devices. We…

The structure of liquid water in the proximity of an interface can deviate significantly from that of bulk water, with surface-induced structural perturbations typically converging to bulk values at about ~1 nm from the interface. While…

Soft Condensed Matter · Physics 2022-03-01 Piero Gasparotto , Martin Fitzner , Stephen J. Cox , Gabriele Cesare Sosso , Angelos Michaelides

In this paper we investigate the hydrodynamic permeance of water through graphene-based membranes, inspired by recent experimental findings on graphene-oxide membranes. We consider the flow across multiple graphene layers having nanoslits…

Mesoscale and Nanoscale Physics · Physics 2016-06-16 Hiroaki Yoshida , Lydéric Bocquet

Heat transfer at the liquid/solid interface, especially at the nanoscale, has enormous importance in nanofluids. This study investigates liquid/solid interfacial thermal resistance and structure of the formed molecular nanolayer around a…

Soft Condensed Matter · Physics 2019-03-29 Fatemeh Jabbari , Ali Rajabpour , Seyfollah Saedodin , Somchai Wongwises

Fast slip flow was reported for water inside the interlayer gallery between graphene layers or carbon nanotubes. We report here that this flow rate enhancement (over two orders) breaks down with the presence of chemical functionalization…

Mesoscale and Nanoscale Physics · Physics 2014-06-05 Ning Wei , Zhiping Xu

The frequency-dependent impedance is a fundamental property of electrical components. We show that it can be determined from the equilibrium dynamical fluctuations of the electrode charge in constant-potential molecular simulations,…

Chemical Physics · Physics 2023-03-15 Giovanni Pireddu , Benjamin Rotenberg

Friction in liquids arises from conservative forces between molecules and atoms. Although the hydrodynamics at the nanoscale is subject of intense research and despite the enormous interest in the non-Markovian dynamics of single molecules…

Statistical Mechanics · Physics 2020-07-13 Arthur V. Straube , Bartosz G. Kowalik , Roland R. Netz , Felix Höfling

Friction is usually a very complicated process. It appears in its most elementary form when two flat surfaces separated by vacuum gap are sliding relative to each other at zero Kelvin and the friction is generated by the relative movement…

Mesoscale and Nanoscale Physics · Physics 2011-12-22 Aleksandr Volokitin

The fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the interface. We investigate these fluctuations using molecular…

Continuum simulation is employed to study ion transport and fluid flow through a nanopore in a solid-state membrane under an applied potential drop. Results show the existence of concentration polarization layers on the surfaces of the…

Fluid Dynamics · Physics 2015-06-16 Mao Mao , Sandip Ghosal , Guohui Hu

Quantum fluids of light merge many-body physics and nonlinear optics, through the study of light propagation in a nonlinear medium under the shine of quantum hydrodynamics. One of the most outstanding evidence of light behaving as an…

Motivated by recent experiments [Science {\bf 299}, 1042 (2003)] reporting that carbon nanotubes immersed in a flowing fluid displayed an electric current and voltage, we numerically study the behaviour of a collection of Brownian particles…

Statistical Mechanics · Physics 2007-05-23 Moumita Das , Sriram Ramaswamy , A. K. Sood , G. Ananthakrishna

Equilibrium molecular dynamics simulations are used to investigate the effect of phase transitions on the transport properties of highly-confined water between parallel graphene sheets. An abrupt reduction by several orders of magnitude in…

Computational Physics · Physics 2019-01-23 Frederike Jaeger , Omar K. Matar , Erich A. Müller

While fluids near a solid surface are at the core of applications in energy storage/conversion, electrochemistry/electrowetting and adsorption/catalysis, their nanoscale behavior remains only partially deciphered. Beyond conventional…

Soft Condensed Matter · Physics 2026-01-07 Cecilia Herrero , Lyderic Bocquet , Benoit Coasne

Water behaves very differently at surfaces and under extreme confinement, but the boundary between these two regimes has remained unclear. Despite evidence that interfacial effects persist under sub-nanometre confinement, the…

Chemical Physics · Physics 2025-12-15 Xavier R. Advincula , Christoph Schran , Angelos Michaelides

The goal of this PhD thesis was to characterize the properties of friction in nanotubes and from a more general point of view the understanding of the microscopic origin of friction. Indeed, the relative simplicity of the system allows us…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 J. Servantie

We develop a theory of Coulomb drag in ultraclean double layers with strongly correlated carriers. In the regime where the equilibration length of the electron liquid is shorter than the interlayer spacing the main contribution to the…

Strongly Correlated Electrons · Physics 2015-06-18 S. S. Apostolov , A. Levchenko , A. V. Andreev

Water plays a crucial role in geological, biological, and technological processes. Nanoscale water confinement occurs in many of these settings, including sedimentary rocks, water channel proteins, and applications like desalination and…