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Fluid-particle systems are highly sensitive to particle morphologies. While many attempts have been made on shape descriptors and coupling schemes, how to simulate the particle-particle and particle-fluid interactions with a balance between…
Molecular Communication (MC) is a bio-inspired communication paradigm utilizing molecules for information transfer. Research on this unconventional communication technique has recently started to transition from theoretical investigations…
A molten carbonate fuel cell (MCFC) is an electro-chemical energy conversion technology that runs on natural gas and employs a molten salt electrolyte. In order to keep the electrolyte in this state, the cell must be kept at a temperature…
In this paper, by using a phase-change lattice Boltzmann (LB) model coupled with an electric field model, we numerically investigate the performance and enhancement mechanism of pool boiling of dielectric fluids on pillar-structured…
We explore a novel simulation route for Plasma Wakefield Acceleration (PWFA) by using the computational method known as the Lattice Boltzmann Method (LBM). LBM is based on a discretization of the continuum kinetic theory while assuring the…
We present a hybrid method for the simulation of colloidal systems, that combines molecular dynamics (MD) with the Lattice-Boltzmann (LB) scheme. The LB method is used as a model for the solvent in order to take into account the…
It is well-known that the microstructure of electrodes in lithium-ion batteries strongly affects their performance. Vice versa, the microstructure can exhibit strong changes during the usage of the battery due to aging effects. For a better…
A Lattice Boltzmann scheme has been applied to the problem of heat and mass transport in packagings of cut flowers. The LB scheme, simulating convection-diffusion processes and heat and mass transfer between flowers and air flow, is…
Tuning the interface properties of multiphase models is of paramount importance to the final goal of achieving a one-to-one matching with nucleation and cavitation experiments. The surface tension, at the leading order, and the Tolman…
Classical molecular dynamics simulations have recently become a standard tool for the study of electrochemical systems. State-of-the-art approaches represent the electrodes as perfect conductors, modelling their responses to the charge…
Model biomembrane systems play a crucial role in advancing biomedical research by providing simplified yet effective platforms for exploring complex biological mechanisms. These systems span a wide range of scales, from…
Most of the performances of electrochemical devices are governed by molecular processes taking place at the solution-electrode interfaces and molecular simulation are the main way to study these processes. Aqueous electrochemical systems…
In this paper, we applied the Shan-Chen multiphase Lattice Boltzmann method to simulate two different parameters, contact angle (a static parameter) and slip length (a dynamic parameter), and we proposed a relationship between them by…
This paper presents new results which may constitute a breakthrough in the effort to develop fuel cells truly suitable for use in cars and trucks. For decades, researchers have known that the alkaline fuel cell (AFC) is much cheaper to…
A lattice Boltzmann scheme able to model the hydrodynamics of phase separation and two-phase flow is described. Thermodynamic consistency is ensured by introducing a non-ideal pressure tensor directly into the collision operator. We also…
Fluid-particle systems are very common in many natural processes and engineering applications. However, accurately and efficiently modelling fluid-particle systems with complex particle shapes is still a challenging task. Here, we present a…
Molecular crystals play a central role in a wide range of scientific fields, including pharmaceuticals and organic semiconductor devices. However, they are challenging systems to model accurately with computational approaches because of a…
Computational Fluid Dynamics (CFD) is currently used to design and improve the hydraulic properties of biomedical devices, wherein the large scale blood circulation needs to be simulated by accounting for the mechanical response of red…
Model-Free Control (MFC) has been applied to a wide variety of systems in which it has shown its performance. MFC offers "model-free operation", but the controller design requires some information from the nominal plant. This paper…
We introduce a lattice Boltzmann for simulating an immiscible binary fluid mixture. Our collision rules are derived from a macroscopic thermodynamic description of the fluid in a way motivated by the Cahn-Hilliard approach to…