Related papers: Multiscale modelling of oxygenic photogranules
A new tool for the Evolutionary Synthesis of Stellar Populations (EPS) is presented, which is based on three independent matrices, giving respectively: 1) the fuel consumption during each evolutionary phase as a function of stellar mass; 2)…
Modeling of polymer oxidative aging has been actively studied since the 1990s. Insights from these studies suggest that the transport of oxygen and radicals significantly influences aging heterogeneity, alongside chemical reaction kinetics.…
Observations have revealed evidence of photochemical processing in protoplanetary disks. This processing occurs in the photon dominated layer, the optically thin regions of the disk high above the disk midplane. It remains unclear, however,…
Bacterial growth models are commonly used for the prediction of microbial safety and the shelf life of perishable foods. Growth is affected by several environmental factors such as temperature, acidity level and salt concentration. In this…
The thesis focuses on study of optical and photovoltaic properties of iso-type and aniso-type heterostructures based on photosensitive layers of organic semiconductors. The primary attention has been paid on determination of optimal…
In this paper, we propose a tumor growth model to incorporate and investigate the spatial effects of autophagy. The cells are classified into two phases: normal cells and autophagic cells, whose dynamics are also coupled with the nutrients.…
The generation of rapidly tunable Optical Vortex (OV) beams is one of the most demanding research areas of the present era as they possess Orbital Angular Momentum (OAM) with additional degrees of freedom that can be exploited to enhance…
From multicellular tissues to bacterial colonies, three dimensional cellular structures arise through the interaction of cellular activities and mechanical forces. Simple bacterial communities provide model systems for analyzing such…
We report a theoretical study of clusters of evanescently-coupled 2D whispering-gallery (WG) mode optical micro-cavities (termed "photonic molecules") as chemosensing and biosensing platforms. Photonic molecules (PMs) supporting modes with…
Optoacoustic tomography image reconstruction has been a problem of interest in recent years. By exploiting the exceptional generative power of the recently proposed diffusion models we consider a scheme which is based on a conditional…
We present a pipeline to study the device performance of organic solar cells in silico. We introduce a mathematical model that includes the dynamics of excitons as well as their dissociation at bulk heterojunctions within the nanomorphology…
This work is related to the setup of overflowing exponential fed-batch cultures (O-EFBC) derived from carbon limited EFBC dedicated to the production of mycosubtilin, an antifungal lipopeptide belonging to the iturin family. O-EFBC permits…
The thermal growth of silicon oxide films on Si in dry O2 is modelled as a dynamical system, assuming that it is basically a diffusion-reaction phenomenon. Relevant findings of the last decade are incorporated, as structure and composition…
In the growth of bacterial colonies, a great variety of complex patterns are observed in experiments, depending on external conditions and the bacterial species. Typically, existing models employ systems of reaction-diffusion equations or…
Understanding processes in porous media is fundamental to a broad spectrum of environmental, energy, and geoscience applications. These processes include multiphase fluid transport, interfacial dynamics, reactive transformations, and…
We explore the U-Ge phase diagram using thin film growth by co-deposition of U and Ge via d.c. magnetron sputtering. Using three different single crystal substrates - MgO, CaF$_2$ and SrTiO$_3$ - we have stabilised mixed phase films of…
Polymer association at liquid-liquid interfaces is a promising way to spontaneously obtain soft self-healing membranes. In the case of reversible bonding between two polymers, the macromolecules are mobile everywhere within the membrane and…
In nature, excitable reaction-diffusion systems found in diverse settings (e.g. chemical reactions, metal rust, yeast, amoeba, heart, brain) generate geometrically similar macroscopic waves(1,2). For the heart and brain, the spatiotemporal…
Nanoparticles introduced in living cells are capable of strongly promoting the aggregation of peptides and proteins. We use here molecular dynamics simulations to characterise in detail the process by which nanoparticle surfaces catalyse…
We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a…