相关论文: Three Dimensional Activity Volcano Plot under Exte…
Hyperfine structure of the ground rotational level of the metastable $^3\Delta_1$ electronic state of $^{180}$HfF$^+$ ion is calculated at presence of variable external electric and magnetic fields. Calculations are required for analysis of…
We have a general knowledge of the principles by which catalysts accelerate the rate of chemical reactions but no precise understanding of the geometrical and physical constraints to which their design is subject. To analyze these…
The effective field theory (EFT) framework is a precise approximation procedure when the inherent assumptions of a large-scale separation between the Standard Model (SM) and new interactions alongside perturbativity are realised.…
The energy splitings for $J = 1$, $F=3/2$, $|M_F|=3/2$ hyperfine levels of the $^3\Delta_1$ electronic state of $^{180}$Hf$^{19}$F$^+$ ion are calculated as functions of the external variable electric and magnetic fields within two…
Metal-organic frameworks (MOFs) provide a versatile and tailorable material platform that embody many desirable attributes for photocatalytic water-splitting. The approach taken in this study was to use Density Functional Theory (DFT) to…
Effective Field Theory (EFT) is a general framework to parametrize the low-energy approximation to a UV model that is widely used in model-independent searches for new physics. The use of EFTs at the LHC can suffer from a 'validity' issue,…
The effect of elastic strains on the catalytic activity for the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR) was analyzed on thirteen late transition metals: eight (111) surfaces of fcc metals (Ni, Cu, Pd, Ag,…
Magnetic reconnection can convert magnetic energy into kinetic energy of non-thermal electron beams. Those accelerated electrons can, in turn, cause radio emission in astrophysical plasma environments such as solar flares via…
The concept of the electron localization function (ELF) is extended to two-dimensional (2D) electron systems. We show that the topological properties of the ELF in 2D are considerably simpler than in molecules studied previously. We compute…
The electrocaloric (EC) effect is the reversible change in temperature and/or entropy of a material when it is subjected to an adiabatic electric field change. Our tight-binding calculations linked to Fermi statistics, show that the EC…
In this work, we study the renormalization-group evolution of parameters in the three-dimensional effective field theory (3D EFT) that describes the thermally driven electroweak phase transition of the Higgs field. We consider tree-level…
An atomistic effective Hamiltonian is used to compute electrocaloric (EC) effects in rare-earth substituted BiFeO$_{3}$ multiferroics. A phenomenological model is then developed to interpret these computations, with this model indicating…
The simple microscopic model for the high-T_{C} superconductors based on the electron-phonon (EPH) and electron-electron-phonon (EEPH) interactions has been presented. On the {\it fold} mean-field level, it has been shown, that the obtained…
In the last decade, there has been a surge of experiments showing that certain chemical reactions undergo an enormous boost when taken from bulk aqueous conditions to microdroplet environments. The microscopic basis of this phenomenon…
Multi-peaked analytically extended function (AEF), previously applied by the authors to modelling of lightning discharge currents, is used in this paper for representation of the electrostatic discharge (ESD) currents. The fitting to data…
We propose an effective model on the basis of a $j$-$j$ coupling scheme to describe local $f$-electron states for realistic values of Coulomb interaction $U$ and spin-orbit coupling $\lambda$, for future development of microscopic theory of…
A general physics-based model is developed for heterogeneous electrocatalysis in porous electrodes and used to predict and interpret the impedance of solid oxide fuel cells. This model describes the coupled processes of oxygen gas…
Coupling of electron heat conduction and magnetic field takes significant effects in inertial confinement fusion (ICF). As the nonlocal models for electron heat conduction have been developed for modeling kinetic effects on heat flux in…
We have performed hybrid kinetic-fluid simulations of a positive column in AC Argon discharges over a range of driving frequencies f and gas pressure p for the conditions when the spatial nonlocality of the Electron Energy Distribution…
A self-consistent particle-in-cell simulation study is performed to investigate the effect of driving frequency on the electric field non-linearity, electron heating mechanism and electron energy distribution function (EEDF) in a low…