Concept
Scalar potential
Publications associées (147)
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 ...
Washington2023Evolution of the electrical double layer with electrolyte concentration probed by second harmonic scattering
Sylvie Roke, Arianna Marchioro, 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 CHEMISTRY2023Tree-cotree decomposition of isogeometric mortared spaces in H(curl) on multi-patch domains
Bernard Kapidani, Rafael Vazquez Hernandez
When applying isogeometric analysis to engineering problems, one often deals with multi-patch spline spaces that have incompatible discretisations, e.g. in the case of moving objects. In such cases mortaring has been shown to be advantageous. This contribu ...
ELSEVIER SCIENCE SA2022Electrokinetic, electrochemical, and electrostatic surface potentials of the pristine water liquid-vapor interface
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 Publishing2022Water Orientation at the Anatase TiO2 Nanoparticle Interface: A Probe of Surface pK(a )Values
Arianna Marchioro, Marie Bischoff
The acid-base properties of surfaces significantly influence catalytic and (photo)electrochemical processes. Estimation of acid dissociation constants (pK(a )values) for colloids is commonly performed through electroanalytical techniques or spectroscopic m ...
AMER CHEMICAL SOC2022Water Orientation at the Anatase TiO2 Nanoparticle Interface: A Probe of Surface pKa Values
Arianna Marchioro, Marie Bischoff
The acid-base properties of surfaces significantly influence catalytic and (photo)electrochemical processes. Estimation of acid dissociation constants (pKa values) for colloids is commonly performed through electroanalytical techniques or spectroscopic met ...
AMER CHEMICAL SOC2022Meta Navigation Functions: Adaptive Associations for Coordination of Multi-Agent Systems
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