Publications associées à The gas-liquid surface tension of argon: A reconciliation between experiment and simulation

Stability of a liquid layer draining around a horizontal cylinder: Interplay of capillary and gravity forces

François Gallaire, Shahab Eghbali, Simeon Vladimirov Djambov

We study the drainage of a viscous liquid film coating the outside of a solid horizontal cylinder, where gravity acts vertically. We focus on the limit of large Ohnesorge numbers Oh, where inertia is negligible compared to viscous effects. We first study t ...

Amer Physical Soc2024

A Versatile Approach to Stabilize Liquid-Liquid Interfaces using Surfactant Self-Assembly

Julian Charles Shillcock

Stabilizing liquid-liquid interfaces, whether between miscible or immiscible liquids, is crucial for a wide range of applications, including energy storage, microreactors, and biomimetic structures. In this study, a versatile approach for stabilizing the w ...

Wiley-V C H Verlag Gmbh2024

Wetting Dynamics Beneath an Impacting Droplet

Ramin Kaviani

Many natural and industrial processes involve fluid flow at a three phase interface between liquid, solid and gas. When the liquid is forced to move rapidly over the solid surface, the physical mechanisms governing contact line motions are multi-phase and ...

EPFL2023

Columnlike free-interface flows: symmetry breaking and linear instability

Shahab Eghbali

This thesis is dedicated to the analysis of a subclass of interfacial flows, columnlike free-interface flows, from two view angles: (i) the symmetry breaking under geometry-induced or external forces, (ii) their stability against infinitesimal disturbances ...

EPFL2023

The Three-Phase Contact Potential Difference Modulates the Water Surface Charge

Aleksandra Radenovic, Andrei Kiselev, Roman Doronin, Vasily Artemov

The surface charge of an open water surface is crucialfor solvationphenomena and interfacial processes in aqueous systems. However, themagnitude of the charge is controversial, and the physical mechanismof charging remains incompletely understood. Here we ...

AMER CHEMICAL SOC2023

Liquid film instability of an internally coated horizontal tube

François Gallaire, Edouard Boujo, Yves-Marie François Ducimetière, Shahab Eghbali

We study numerically and theoretically the gravity-driven flow of a viscous liquid film coating the inner side of a horizontal cylindrical tube and surrounding a shear-free dynamically inert gaseous core. The liquid-gas interface is prone to the Rayleigh-P ...

AMER PHYSICAL SOC2023

Swirling against the forcing: Evidence of stable counterdirected sloshing waves in orbital-shaken reservoirs

François Gallaire, Alessandro Bongarzone, Alice Evelyne Julienne Marcotte

We investigate the response of the free liquid surface in a partially filled circular cylindrical container undergoing a planar elliptic and time-periodic orbit while maintaining fixed its orientation. For small forcing amplitudes and deep liquid layers, w ...

Amer Physical Soc2023

Role of Minimum Adhesive Wear Particle Size in Third-Body Layer Properties

Jean-François Molinari, Son-Jonathan Pham-Ba

We employ a novel discrete element method (DEM) force formulation to simulate adhesive wear and assess the effects of material and loading parameters on the properties of the third-body layer (TBL) formed during sliding motion. The study emphasizes the rol ...

2023

Self-Interaction and Polarons in Density Functional Theory

Stefano Falletta

The electron self-interaction is a long-standing problem in density functional theory and is particularly critical in the description of polarons. Polarons are quasiparticles involving charge localization coupled with self-induced lattice distortions. Sinc ...

EPFL2023

Spectroscopy and dynamics at liquid water interfaces

Bruno Credidio

This thesis is a detailed description of three experimental investigations on aqueous interfaces. All projects made use of the microjet technology or the more recently developed flat-jet technique which enables the implementation of liquid water in vacuum ...

EPFL2022

Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution

Philip Robin Loche

Although important for atmospheric processes and gas-phase catalysis, very little is known about the hydration state of ions in the vapor phase. Here we study the evaporation energetics and kinetics of a chloride ion from liquid water by molecular dynamics ...

NATURE PORTFOLIO2022

Roadmap on Machine learning in electronic structure

Michele Ceriotti, Andrea Grisafi, Max David Veit, Jigyasa Nigam

In recent years, we have been witnessing a paradigm shift in computational materials science. In fact, traditional methods, mostly developed in the second half of the XXth century, are being complemented, extended, and sometimes even completely replaced by ...

IOP Publishing Ltd2022

The native oxide skin of liquid metal Ga nanoparticles prevents their rapid coalescence during electrocatalysis

Raffaella Buonsanti, Anna Loiudice, Jan Vávra, Laia Castilla Amorós, Valery Okatenko, Dragos-Constantin Stoian

Liquid metals (LMs) have been used in electrochemistry since the 19th century, but it is only recently that they have emerged as electrocatalysts with unique properties, such as inherent resistance to coke-poisoning, which derives from the dynamic nature o ...

2022

From coating flow patterns to porous body wake dynamics via multiscale models

Pier Giuseppe Ledda

Multiscale phenomena are involved in countless problems in fluid mechanics. Coating flows are known to exhibit a broad variety of patterns, such as wine tears in a glass and dripping of fresh paint applied on a wall. Coating flows are typically modeled und ...

EPFL2022

Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces

Philip Robin Loche

Using classical molecular dynamics simulations, we investigate the dielectric properties at interfaces of water with graphene, graphite, hexane, and water vapor. For graphite, we compare metallic and nonmetallic versions. At the vapor-liquid water and hexa ...

AIP Publishing2022

Small-angle neutron scattering study of mesoscale magnetic disordering and skyrmion phase suppression in the frustrated chiral magnet Co6.75Zn6.75Mn6.51

Henrik Moodysson Rønnow, Jonathan White

Co-Zn-Mn chiral cubic magnets display versatile magnetic skyrmion phases, including equilibrium phases stable far above and far below room temperature, and the facile creation of robust far-from-equilibrium skyrmion states. In this system, compositional di ...

INT UNION CRYSTALLOGRAPHY2022

Study of the enhanced electricity output of a sliding droplet-based triboelectric nanogenerator for droplet sensor design

Jürgen Brugger, Xia Liu, Wei Xu, Xiaopeng Li

Triboelectric nanogenerators are establishing themselves as promising candidates for realizing high-efficient energy harvesting from largely available droplets. However, the conventional droplet-based liquid-solid triboelectric nanogenerator (DLS-TENG) has ...

Elsevier2022

Many-Body Self-Interaction and Polarons

Alfredo Pasquarello, Stefano Falletta

We address the many-body self-interaction in relation to polarons in density functional theory. Our study provides (i) a unified theoretical framework encompassing many-body and one-body forms of self-interaction and (ii) an efficient semilocal scheme for ...

2022

Molecular simulations of interfacial systems: challenges, applications and future perspectives

Satoshi Takahama, Mária Lbadaoui-Darvas, Athanasios Nenes

We present a comprehensive review of methods and applications of molecular simulations of interfacial systems. We give a detailed overview of the main techniques and major challenges in the following aspects of solid and fluid surfaces: adsorption at solid ...

TAYLOR & FRANCIS LTD2023

Force Scaling Comparison of Transport Phenomena in Proton Exchange Membrane Fuel Cell Flow Channels

Mahbod Heidari

Liquid-gas two-phase flow in flow channels of proton exchange membrane (PEM) fuel cells has been investigated extensively in the literature; however, a comparison between the order of the magnitude of the forces occurring within the flow channels has not b ...

ASME2021