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The potential of hybrid improper ferroelectrics (HIFs) in electronic and spintronic devices hinges on their ability to switch polarization. Although the coupling between octahedral rotation and tilt is well established, the factors that…
We critically compare thermodynamic and kinetic approaches, that have been recently used to study relations between the spin polarization and fluid vorticity in systems consisting of spin-one-half particles. The thermodynamic approach…
In order to understand the physical hysteresis loops clearly, we constructed a novel model, which is combined with the electric field, the temperature, and the stress as one synthetically parameter. This model revealed the shape of…
In this paper, two-dimensional periodic capillary-gravity waves travelling under the effect of a vertical electric field are considered. The full system is a nonlinear, two-layered and free boundary problem. The interface dynamics arises…
Evaporation-driven fluid flow in porous or nanostructured materials has recently opened a new paradigm for renewable energy generation. Despite recent progress, major fundamental questions remain regarding the interfacial phenomena…
We introduce the particle-hole map (PHM), a visualization tool to analyze electronic excitations in molecules in the time or frequency domain, to be used in conjunction with time-dependent density-functional theory (TDDFT) or other ab…
Numerical solutions of the standard electrokinetic model provide a basis for interpreting a variety of electrokinetic phenomena involving `bare' colloids. However, the model rests on the classical notion of a shear or slipping plane, whose…
The hydrogen production curve of the electrolyzer describes the non-linear and non-convex relationship between its power consumption and hydrogen production. An accurate representation of this curve is essential for the optimal scheduling…
Several experimental measurements are expressed in the form of one-dimensional profiles, for which there is a scarcity of methodologies able to classify the pertinence of a given result to a specific group. The polarization curves that…
Recently, topological quantum materials have emerged as a promising electrocatalyst for hydrogen evolution reaction (HER). However, most of their performance largely lags behind noble metals such as benchmark platinum (Pt). In this work, a…
In this paper we present a constitutive model to describe unsaturated flow that considers the hysteresis phenomena. This constitutive model provides simple mathematical expressions for both saturation and hydraulic conductivity curves, and…
Description of domains switching processes in crystalline ferroelectrics by means of relaxation type equations with account of variable external electric field is proposed. Exact solution of these equations in closed analytical form at…
The paper presents a new type of weakly nonlinear two-scale model of controllable periodic porous piezoelectric structures saturated by Newtonian fluids. The flow is propelled by peristaltic deformation of microchannels which is induced due…
Nonlinear electrokinetic phenomena, where electrically driven fluid flows depend nonlinearly on the applied voltage, are commonly encountered in aqueous suspensions of colloidal particles. A prime example is the induced-charge…
Accurate modelling of electrostatic interactions and charge transfer is fundamental to computational chemistry, yet most machine learning interatomic potentials (MLIPs) rely on local atomic descriptors that cannot capture long-range…
Electrochemical corrosion significantly reduces the durability of electrodes in water electrolyzers, adversely affecting hydrogen (H$_2$) production and cell efficiency. Current theoretical models inadequately assess corrosion behaviors in…
Electropermeabilization is a clinical technique in cancer treatment to locally stimulate the cell metabolism. It is based on electrical fields that change the properties of the cell membrane. With that, cancer treatment can reach the cell…
Electroencephalography (EEG) is an essential technique for neuroscience research and brain-computer interface (BCI) applications. Recently, large-scale EEG foundation models have been developed, exhibiting robust generalization capabilities…
In this work the polarizability of a subwavelength core-shell sphere is considered, where the shell exhibits a radially inhomogeneous permittivity profile. A mathematical treatment of the elec- trostatic polarizability is formulated in…
Understanding electrochemical interfaces at a microscopic level is essential for elucidating important electrochemical processes in electrocatalysis, batteries and corrosion. While \textit{ab initio} simulations have provided valuable…