Diffusion-limited reactions in crowded environments: a local density approximation
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We present a numerical model for the approximation of multiphase flows with free surfaces and strong interfacial effects. The model relies on the multiphase incompressible Navier-Stokes equations, and includes surface tension effects on the interfaces betw ...
Photocatalytic applications play an essential role in the search for alternative energy sources and environmental decontamination techniques. It is of fundamental interest to understand on a molecular level the aqueous solid/liquid interface, where photoca ...
In this work we study microwimmers, whether colloids or polymers, embedded in bulk or in confinement. We explicitly consider hydrodynamic interactions and simulate the swimmers via an implementation inspired by the squirmer model. Concerning the surroundin ...
The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, the electronic structure of InAs(001), InAs(111), and InSb(110) surfaces is studied ...
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 ...
The formation of water columns inside the gas diffusion layer (GDL) of the proton exchange membrane fuel cell (PEMFC), which is harmful phenomenon, can be controlled by the GDL's microstructure and material. Using computational fluid dynamics (CFD), a thre ...
To exploit fusion as a source of energy, a hot and dense confined plasma is needed. This is
achieved in tokamaks by actively controlling the plasma state meaning shape, position and
internal kinetic profiles. This thesis addresses two topics: the developme ...
We present a numerical model for the simulation of 3D mono-dispersed sediment dynamics in a Newtonian flow with free surfaces. The physical model is a macroscopic model for the transport of sediment based on a sediment concentration with a single momentum ...
We present a hydrodynamic theory for systems of dipolar active Brownian particles which, in the regime of weak dipolar coupling, predicts the onset of motility-induced phase separation (MIPS), consistent with Brownian dynamics (BD) simulations. The hydrody ...
We study the self-propulsion of a charged colloidal particle that releases ionic species using theory and experiments. We relax the assumptions of thin Debye length and weak nonequilibrium effects assumed in classical phoretic models. This leads to a numbe ...