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Since it is commonly believed that the observed large-scale structure of the Universe is an imprint of quantum fluctuations existing at the very early stage of its evolution, it is reasonable to pose the question: Do the effects of quantum…
We rigorously discuss the large-$N$ thermodynamics of a Bose gas with a short-range two-body potential. Considering the system as a mixture of $N$ identical components with symmetrical interaction we calculated numerically the temperature…
Experimental methods allow the shape and chemical composition of solid surfaces to be controlled at a mesoscopic level. Exposing such structured substrates to a gas close to coexistence with its liquid can produce quite distinct adsorption…
Living materials at different length scales manifest active nematic features such as orientational order, nematic topological defects, and active nematic turbulence. Using numerical simulations we investigate the impact of fluid inertia on…
The field of 2D materials has gained a lot of attention for vast range of applications. Amongst others, the sensing ability towards harmful gases is the application, which we explored in the present work using quantum-mechanical simulations…
Thermodynamic properties of extensive but nonadditive systems are investigated. The precise definitions of additivity and extensivity are presented, and we will see that additivity derives several important properties including the…
We decompose the energy error of any variational DFT calculation into a contribution due to the approximate functional and that due to the approximate density. Typically, the functional error dominates, but in many interesting situations,…
The study of defect phases is important for designing nanostructured metals and alloys. Grain boundaries (GBs) form one class of defects that directly influence materials properties, such as deformability and strength. At the same time,…
Defects usually play an important role in tuning and modifying various properties of semiconducting or insulating materials. Therefore we study the impact of point and line defects on the electronic structure and optical properties of MoS2…
We study the deformation and dewetting of liquid films under impinging gas jets using experimental, analytical and numerical techniques. We first derive a reduced-order model (a thin-film equation) based on the long-wave assumption and on…
We investigate the possibility of explaining the observed effects usually attributed to the existence of dark matter through a transition from GR to a modified theory of gravity - embedding gravity. Since this theory can be reformulated as…
The escape of energy injected into one site in a disordered chain of nonlinear oscillators is examined numerically. When the disorder has a `fractal' pattern, the decay of the residual energy at the injection site can be fit to a stretched…
Metal-organic frameworks are a novel family of chemically diverse materials, which are of interest across engineering, physics, chemistry, biology, and medicine-based disciplines. Since the development of the field in its current form more…
The spontaneous formation of droplets via dewetting of a thin fluid film from a solid substrate allows for materials nanostructuring, under appropriate experimental control. While thermal fluctuations are expected to play a role in this…
To explore the potential of molecular gas treatment of freshly cut lithium foils in non-electrolyte based passivation of high energy-density Li anodes, density functional theory (DFT) has been used to study the decomposition of molecular…
We theoretically investigate the influence of defect-induced long-range deformations in carbon nanotubes on their electronic transport properties. To this end we perform numerical ab-initio calculations using a density-functional-based…
We consider the physical effects of dimensional quantization in conductive filaments that underlie operations of some modern electronic devices. We show that, as a result of quantization, a sufficiently constricted filament acquires a…
To be practical, semiconductors need to be doped. Sometimes, to nearly degenerate levels, e.g. in applications such as thermoelectric, transparent electronics or power electronics. However, many materials with finite band gaps are not…
We demonstrate that branching of the electron flow in semiconductor nanostructures can strongly affect macroscopic transport quantities and can significantly change their dependence on external parameters compared to the ideal ballistic…
There is a growing interest in the development of functional metal oxides with mixed ionic electronic conduction for their application in different strategic fields. In particular, ionic transport-related phenomena are of primary importance…