Publications related to Implementation of drift velocities and currents in SOLEDGE2D-EIRENE

Verification of the Fourier-enhanced 3D finite element Poisson solver of the gyrokinetic full-f code PICLS

Stephan Brunner, Laurent Villard, Alberto Bottino, Moahan Murugappan

We introduce and derive the Fourier -enhanced 3D electrostatic field solver of the gyrokinetic full -f PIC code PICLS. The solver makes use of a Fourier representation in one periodic direction of the domain to make the solving of the system easily paralle ...

Elsevier2024

Second harmonic scattering of nanoparticles: A journey into the electrical double layer

Bingxin Chu

In aqueous solutions, a charged surface causes the redistribution of nearby ions. The ion layers formed are known as the electrical double layer (EDL), and are widespread in many systems involving electrochemistry, colloidal science, biomedicine, and energ ...

EPFL2024

Adaptive Symplectic Model Order Reduction Of Parametric Particle-Based Vlasov-Poisson Equation

Cecilia Pagliantini, Jan Sickmann Hesthaven, Nicolò Ripamonti

. High-resolution simulations of particle-based kinetic plasma models typically require a high number of particles and thus often become computationally intractable. This is exacerbated in multi-query simulations, where the problem depends on a set of para ...

AMER MATHEMATICAL SOC2023

Device, system, and method for ion fragmentation by use of an ion mobility device and messenger tagging

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke

A device for fragmenting ions by collision induced dissociation, the device intended to be used together with a planar ion mobility apparatus, the device including a first conductive grid having a plurality of first openings, the first conductive grid conf ...

2023

Predicting Ion Diffusion from the Shape of Potential Energy Landscapes

Berend Smit, Senja Dominique Barthel, Amber Kashan Mace

We present an efficient method to compute diffusion coefficients of multiparticle systems with strong interactions directly from the geometry and topology of the potential energy field of the migrating particles. The approach is tested on Li-ion diffusion ...

Amer Chemical Soc2023

A reduced-order, rotation-based model for thin hard-magnetic plates

Pedro Miguel Nunes Pereira de Almeida Reis, Dong Yan, Bastien Freddy Gustave Aymon

We develop a reduced-order model for thin plates made of hard magnetorheological elastomers (hard-MREs), which are composed of hard-magnetic particles embedded in a polymeric matrix. First, we propose a new magnetic potential, as an alternative to an exist ...

PERGAMON-ELSEVIER SCIENCE LTD2023

High entropy molybdate-derived FeOOH catalyzes oxygen evolution reaction in alkaline media

Lichen Bai, Seunghwa Lee

High-entropy materials are a new class of materials that have lately been developed and applied to a variety of potential fields. Here we present that electrochemical activation facilitates the application of high-entropy molybdates (HEMo) as oxygen evolut ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Evolution of the electrical double layer with electrolyte concentration probed by second harmonic scattering

Arianna Marchioro, Sylvie Roke, Bingxin Chu, Marie Bischoff

Investigating the electrical double layer (EDL) structure has been a long-standing challenge and has seen the emergence of several sophisticated techniques able to probe selectively the few molecular layers of a solid/water interface. While a qualitative e ...

ROYAL SOC CHEMISTRY2023

Grassmannian diffusion maps based surrogate modeling via geometric harmonics

Ketson Roberto Maximiano Dos Santos

A novel surrogate model based on the Grassmannian diffusion maps (GDMaps) and utilizing geometric harmonics (GH) is developed for predicting the response of complex physical phenomena. The method utilizes GDMaps to obtain a low-dimensional representation o ...

Wiley2022

PDE-Aware Deep Learning for Inverse Problems in Cardiac Electrophysiology

Alfio Quarteroni, Simone Deparis, Stefano Pagani, Riccardo Tenderini

In this work, we present a PDE-aware deep learning model for the numerical solution to the inverse problem of electrocardiography. The model both leverages data availability and exploits the knowledge of a physically based mathematical model, expressed by ...

2022

Electrokinetic, electrochemical, and electrostatic surface potentials of the pristine water liquid-vapor interface

Philip Robin Loche

Although conceptually simple, the air-water interface displays rich behavior and is subject to intense experimental and theoretical investigations. Different definitions of the electrostatic surface potential as well as different calculation methods, each ...

AIP Publishing2022

Scrutinizing thermally stimulated current transients originating from trapped charges in organic semiconductors: A drift-diffusion study

Frank Nüesch, Beat Ruhstaller

Thermally stimulated current (TSC) is a widely used technique to assess trap states and extract their density, energy, and capture rate using analytical expressions. In many cases, the latter are derived from physical models pertaining to inorganic semicon ...

AIP Publishing2022

Stress induced delamination of suspended MoS2 in aqueous environments

Aleksandra Radenovic, Michal Daniel Macha, Sanjin Marion, Mukeshchand Thakur

Applying hydrostatic pressure with suspended 2D material thin membranes allows probing the effects of lateral strain on the ion and fluid transport through nanopores. We demonstrate how both permanent and temporary delamination of 2D materials can be induc ...

ROYAL SOC CHEMISTRY2022

Polymer Translocation through Nanometer Pores

Maria-Alexandra Paun

In this paper the loaded polymer transport and its escape via a nanometer size aperture, virtually by nanomembrane, the polymer being moved by an exterior electrostatic field, has been studied. Assuming a linear dependency of the friction coefficient on th ...

MDPI2022

Meta Navigation Functions: Adaptive Associations for Coordination of Multi-Agent Systems

Matin Macktoobian

In this paper, we introduce a new class of potential fields, i.e., meta navigation functions (MNFs) to coordinate multi-agent systems. Thanks to the MNF formulation, agents can contribute to each other's coordination via partial and/or total associations, ...

IEEE2022

Energetics and mixing of thermally driven flows in Hele-Shaw cells

Hugo Nicolás Ulloa Sánchez

Thermally driven flows in fractures play a key role in enhancing the heat transfer and fluid mixing across the Earth’s lithosphere. Yet the energy pathways in such confined environments have not been characterised. Building on Letelier et al. (J. Fluid Mec ...

Cambridge University Press2021

A tunable femtosecond fiber laser source for multiphoton emission microscopy

Pierre-Marc Jean Marie Dansette

Second harmonic generation microscopy is used to image interfaces or non-centrosymmetric structures and molecules. Two-photon fluorescence microscopy can image molecules within cells without using markers. Thus those technics have lead to advances in our u ...

EPFL2021

Predictive control of aerial swarms in cluttered environments

Dario Floreano, Enrica Soria, Fabrizio Schiano

Classical models of aerial swarms often describe global coordinated motion as the combination of local interactions that happen at the individual level. Mathematically, these interactions are represented with potential fields. Despite their explanatory suc ...

2021

Thermomechanical properties of honeycomb lattices from internal-coordinates potentials: the case of graphene and hexagonal boron nitride

Nicola Marzari, Francesco Libbi

Lattice dynamics in low-dimensional materials and, in particular, the quadratic behaviour of the flexural acoustic modes play a fundamental role in their thermomechanical properties. A first-principles evaluation of these can be very demanding, and can be ...

IOP PUBLISHING LTD2021

Transferable machine-learning models of complex materials: the case of GaAs

Giulio Imbalzano

Molecular simulations allow to investigate the behaviour of materials at the atomistic level, shedding light on phenomena that cannot be directly observed in experiments. Accurate results can be obtained with ab initio methods, while simulations of large-s ...

EPFL2021