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Parametrizing energy functions for ionic systems can be challenging. Here, the total energy function for an eutectic system consisting of water, SCN$^-$, K$^+$ and acetamide is improved vis-a-vis experimentally measured properties. Given…

Chemical Physics · Physics 2024-10-25 Kai Töpfer , Eric Boittier , Michael Devereux , Andrea Pasti , Peter Hamm , Markus Meuwly

We explore possible applications of the Lattice-Boltzmann Method for the simulation of geophysical flows. This fluid solver, while successful in other fields, is still rarely used for geotechnical applications. We show how the standard…

Fluid Dynamics · Physics 2015-09-04 Alessandro Leonardi , Falk K. Wittel , Miller Mendoza , Hans J. Herrmann

Soft particles at fluid interfaces play an important role in many aspects of our daily life, such as the food industry, paints and coatings, and medical applications. Analytical methods are not capable of describing the emergent effects of…

Computational Physics · Physics 2019-09-25 Maarten Wouters , Othmane Aouane , Timm Krueger , Jens Harting

Lattice Boltzmann methods (LBM) are an important part of current computational fluid dynamics (CFD). They allow easy implementations and boundary handling. However, competitive time to solution not only depends on the choice of a reasonable…

Performance · Computer Science 2018-04-18 Markus Wittmann , Viktor Haag , Thomas Zeiser , Harald Köstler , Gerhard Wellein

The liquid-gas density ratio is a key property of multiphase flow methods to model real fluid systems. Here, a chemical-potential multiphase lattice Boltzmann method is constructed to realize extremely large density ratios. The simulations…

Computational Physics · Physics 2020-07-15 Binghai Wen , Liang Zhao , Wen Qiu , Yong Ye , Xiaowen Shan

Biological systems are known to communicate by diffusing chemical signals in the surrounding medium. However, most of the recent literature has neglected the electron transfer mechanism occurring amongst living cells, and its role in…

Emerging Technologies · Computer Science 2015-02-23 Nicolo Michelusi , Sahand Pirbadian , Mohamed Y. El-Naggar , Urbashi Mitra

With the rapid development of studies involving droplet microfluidics, drug delivery, cell detection, and microparticle synthesis, among others, many scientists have invested significant efforts to model the flow of these fluid-filled…

The optimization of the electrode manufacturing process is important for upscaling the application of Lithium Ion Batteries (LIBs) to cater for growing energy demand. In particular, LIB manufacturing is very important to be optimized…

Machine Learning · Computer Science 2023-07-13 Marc Duquesnoy , Chaoyue Liu , Vishank Kumar , Elixabete Ayerbe , Alejandro A. Franco

Metal anodes provide the highest energy density in batteries. However, they still suffer from electrode/electrolyte interface side reactions and dendrite growth, especially under fast-charging conditions. In this paper, we consider a…

Materials Science · Physics 2025-07-29 Hamed Taghavian , Viktor Vanoppen , Erik Berg , Peter Broqvist , Jens Sjölund

Complex fluid-fluid interfaces featuring mesoscale structures with adsorbed particles are key components of newly designed materials which are continuously enriching the field of soft matter. Simulation tools which are able to cope with the…

Soft Condensed Matter · Physics 2014-02-24 Marcello Sega , Mauro Sbragaglia , Sofia Sergeevna Kantorovich , Alexey Olegovich Ivanov

The lattice Boltzmann method (LBM) has experienced tremendous advances and been well accepted as a popular method of simulation of various fluid flow mechanisms on pore scale in tight formations. With the introduction of an effective…

Fluid Dynamics · Physics 2016-01-07 Junjian Wang , Li Chen , Qinjun Kang , Sheik S Rahman

The lattice Boltzmann method (LBM) is routinely employed in the simulation of complex multiphase flows comprising bulk phases separated by non-ideal interfaces. LBM is intrinsically mesoscale with an hydro-dynamic equivalence popularly set…

Computational Physics · Physics 2019-05-24 Daniele Chiappini , Xiao Xue , Mauro Sbragaglia , Giacomo Falcucci

Beyond active material intrinsic properties, the electrode manufacturing process is a crucial step to reach high energy density and long-life of Li-ion batteries. In particular, very high pressures are applied to the electrode during the…

Materials Science · Physics 2026-02-19 Pierrick Guichard , Benoit Mathieu , Eric Woillez

We discuss the Lattice Boltzmann-Particle Dynamics (LBPD) multiscale paradigm for the simulation of complex states of flowing matter at the interface between Physics, Chemistry and Biology. In particular, we describe current large-scale…

Computational Physics · Physics 2019-06-05 Massimo Bernaschi , Simone Melchionna , Sauro Succi

The phenomenon of apparent slip in micro-channel flows is analyzed by means of a two-phase mesoscopic lattice Boltzmann model including non-ideal fluid-fluid and fluid-wall interactins. The weakly-inhomogeneous limit of this model is solved…

Fluid Dynamics · Physics 2016-09-08 R. Benzi , L. Biferale , M. Sbragaglia , S. Succi , F. Toschi

The dynamics of dry active matter have implications for a diverse collection of biological phenomena spanning a range of length and time scales, such as animal flocking, cell tissue dynamics, and swarming of inserts and bacteria. Uniting…

Soft Condensed Matter · Physics 2021-01-07 David Nesbitt , Gunnar Pruessner , Chiu Fan Lee

Liquid metal batteries (LMBs) were recently proposed as cheap large scale energy storage. Such devices are urgently required for balancing highly fluctuating renewable energy sources. During discharge, intermetallic phases tend to form in…

Applied Physics · Physics 2018-07-26 Norbert Weber , Michael Nimtz , Paolo Personnettaz , Alejandro Salas , Tom Weier

The simulation of morphogenetic problems requires the simultaneous and coupled simulation of signalling and tissue dynamics. A cellular resolution of the tissue domain is important to adequately describe the impact of cell-based events,…

Quantitative Methods · Quantitative Biology 2015-03-29 Simon Tanaka , David Sichau , Dagmar Iber

We describe a recent multiscale approach based on the concurrent coupling of constrained molecular dynamics for long biomolecules with a mesoscopic lattice Boltzmann treatment of solvent hydrodynamics. The multiscale approach is based on a…

Biological Physics · Physics 2008-02-27 Maria Fyta , Simone Melchionna , Efthimios Kaxiras , Sauro Succi

Technologies based on the use of hydrogen are promising for future energy requirements in a more sustainable world. Consequently, modelling fuel cells is crucial, for instance, to optimize their control to achieve excellent performance, to…

Systems and Control · Electrical Eng. & Systems 2024-10-18 Raphaël Gass , Zhongliang Li , Rachid Outbib , Samir Jemei , Daniel Hissel