Energy levels of an electron in a circular quantum dot in the presence of spin-orbit interactions

The two-dimensional circular quantum dot in a double semiconductor heterostructure is simulated by a new axially symmetric smooth potential of finite depth and width. The presence of additional potential parameters in this model allows us to describe the individual properties of different kinds of quantum dots. The influence of the Rashba and Dresselhaus spin-orbit interactions on electron states in quantum dot is investigated. The total Hamiltonian of the problem is written as a sum of unperturbed part and perturbation. First, the exact solution of the unperturbed Schrödinger equation was constructed. Each energy level of the unperturbed Hamiltonian was doubly degenerated. Further, the analytical approximate expression for energy splitting was obtained within the framework of perturbation theory, when the strengths of two spin-orbit interactions are close. The numerical results show the dependence of energy levels on potential parameters.

Exact ground states and domain walls in one dimensional chiral magnets

We determine exactly the phase structure of a chiral magnet in one spatial dimension with the Dzyaloshinskii-Moriya (DM) interaction and a potential that is a function of the third component of the magnetization vector, n3, with a Zeeman (linear with the coefficient B) term and an anisotropy (quadratic with the coefficient A) term, constrained so that 2A ≤ |B|. For large values of potential parameters A and B, the system is in one of the ferromagnetic phases, whereas it is in the spiral phase for small values. In the spiral phase we find a continuum of spiral solutions, which are one-dimensionally modulated solutions with various periods. The ground state is determined as the spiral solution with the lowest average energy density. As the phase boundary approaches, the period of the lowest energy spiral solution diverges, and the spiral solutions become domain wall solutions with zero energy at the boundary. The energy of the domain wall solutions is positive in the homogeneous phase region, but is negative in the spiral phase region, signaling the instability of the homogeneous (ferromagnetic) state. The order of the phase transition between spiral and homogeneous phases and between polarized (n3 = ±1) and canted (n3 ≠ ±1) ferromagnetic phases is found to be second order.

Ring Mechanism of Fast Na+Ion Transport in Na2LiFeTeO6: Insight from MolecularDynamics Simulation

Honeycomb layered oxides have attracted recent attention because of their rich crystal chemistry. However, the atomistic mechanisms of cationic transport in these structures remain vastly unexplored. Herein, we perform an extensive, systematic molecular dynamics study on Na2LiFeTeO6 using combined force-field and first-principles-based molecular dynamics simulations. We use are fined set of inter-atomic potential parameters of a previously reported potential model that represents various structural and transport properties of this recently reported promising material for all-solid-state battery applications. The present simulation study elucidates the roles of octahedral ordering and entropic contributions in Na+-ion distribution in the ab-plane. Our theoretical simulation also develops a ring-like atomistic diffusion mechanism and relevant atomistic energy barriers that help to understand the origin of fast ion conduction in honeycomb layered oxides.

Nucleon-nucleus velocity-dependent optical model: Revisited

In this work we study nucleon-nucleus elastic scattering using a nonlocal, velocity-dependent optical potential. The potential parameters are determined by fitting elastic angular distributions and polarization data for nucleon scattering off a wide range of nuclei falling in the mass range $12 \leq A \leq 208$ and over the energy range 10 - 60 MeV. Our potential parameters lead to smoothly varying local equivalent potentials and, unlike previous works, the potential depths corresponding to the real volume, imaginary surface, and imaginary volume terms show systematic linear dependences on energy. In addition, for each nuclear target, we determined constant sets of geometric parameters. Including the polarization data in the fitting procedure helped in reducing the large variations in the depths of the spin-orbit term. Our best-fit angular distributions and polarization data are in very good agreement with measured data, and are either as good as the cross sections obtained with widely-used systematics or better.

The mud volcanoes at Santa Barbara and Aragona (Sicily, Italy): a contribution to risk assessment

The Santa Barbara and Aragona areas are affected by mud volcanism (MV) phenomena, consisting of continuous or intermittent emission of mud, water, and gases. This activity could be interrupted by paroxysmal events, with an eruptive column composed mainly of clay material, water, and gases. They are the most hazardous phenomena, and today it is impossible to define the potential parameters for modelling the phenomenon. In 2017, two digital surface models (DSMs) were performed by drone in both areas, thus allowing the mapping of the emission zones and the covered areas by the previous events. Detailed information about past paroxysms was obtained from historical sources, and, with the analysis of the 2017 DSMs, a preliminary hazard assessment was carried out for the first time at two sites. Two potentially hazardous paroxysm surfaces of 0.12 and 0.20 km2 for Santa Barbara and Aragona respectively were defined. In May 2020, at Aragona, a new paroxysm covered a surface of 8721 m2. After this, a new detailed DSM was collected with the aim to make a comparison with the 2017 one. Since 2017, a seismic station was installed in Santa Barbara. From preliminary results, both seismic events and ambient noise showed a frequency of 5–10 Hz.

Modified Embedded-Atom Interatomic Potential Parameters of the Ti–Cr Binary and Ti–Cr–N Ternary Systems

The second nearest-neighbor modified embedded-atom method (2NN MEAM) potential parameters of the Ti–Cr binary and Ti–Cr–N ternary systems are optimized in accordance with the 2NN MEAM method. The novel constructed potential parameters can well reproduce the multiple fundamental physical characteristics of binary and ternary systems and reasonably agree with the first-principles calculation or experimental data. Thus, the newly constructed 2NN MEAM potential parameters can be used for atomic simulations to determine the underlying principle of the hardness enhancement of TiN/CrN multilayered coatings.

Nontuberculous Mycobacteria Prevalence in Bats’ Guano from Caves and Attics of Buildings Studied by Culture and qPCR Examinations

A total of 281 guano samples were collected from caves (N = 181) in eight European countries (Bulgaria, Czech Republic, France, Hungary, Italy, Romania, Slovakia and Slovenia) and attics in the Czech R. (N = 100). The correlation of detection of mycobacteria between Ziehl–Neelsen (ZN) microscopy and culture examination and qPCR was strong. ZN microscopy was positive in guano from caves (58.6%) more than double than positivity in guano from attics (21.0%; p < 0.01). From 89 mycobacterial isolates (73 isolates from cave guano and 16 isolates from attics’ guano), 68 (76.4%) isolates of 19 sp., ssp. and complex were identified as members of three Groups (M. fortuitum, M.chelonae, and M. mucogenicum) and four complexes (M. avium, M. terrae, M.vaccae, and M.smegmatis). A total of 20 isolates (22.5%) belonged to risk group 1 (environmental saprophytes), 48 isolates (53.9%) belonged to risk group 2 (potential pathogens), and none of the isolates belonged to risk group 3 (obligatory pathogens). When comparing bat guano collected from caves and attics, differences (p < 0.01; Mann–Whitney test) were observed for the electrical conductivity, total carbon, total organic, and total inorganic carbon. No difference (p > 0.05; Mann–Whitney test) was found for pH and oxidation-reduction potential parameters.

High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials

In this work, we have determined the mean square relative displacement, elastic constant, anharmonic effective potential, correlated function, local force constant, and other thermodynamic parameters of diamond-type structured crystals under high-pressure up to 14 GPa. The parameters are calculated through theoretical interatomic Morse potential parameters, by using the sublimation energy, the compressibility, and the lattice constant in the expanded X-ray absorption fine structure spectrum. Numerical results agree well with the experimental values and other theories.

Nontuberculous Mycobacteria Prevalence in Bats’ Guano from Caves and Attics of Buildings Studied by Culture and qPCR Examinations

A total of 281 guano samples were collected from caves (N = 181) in 8 European countries (Bulgaria, Czech Republic, France, Hungary, Italy, Romania, Slovakia and Slovenia) and attics in the Czech R. (N = 100). The correlation of detection of mycobacteria between Ziehl-Neelsen (ZN) microscopy and culture examination and qPCR was strong. ZN microscopy was positive in guano from caves (58.6%) more than double than positivity in guano from attics (21.0%; P &amp;lt;0.01). From 89 mycobacterial isolates (73 isolates from cave guano and 16 isolates from attics&rsquo; guano) 68 (76.4%) isolates of 19 sp., ssp. and complex were identified as members of 3 Groups (M. fortuitum, M. chelonae, and M. mucogenicum), and 4 Complexes (M. avium, M. terrae, M. vaccae, and M. smegmatis). A total of 20 isolates (22,5%) belonged to risk group 1 (environmental saprophytes), 48 isolates (53.9%) belonged to risk group 2 (potential pathogens), and none of isolates belonged to risk group 3 (obligatory pathogens). When comparing bat guano collected from caves and attics, differences (P&amp;lt;0.01; Mann-Whitney test) were observed for the electrical conductivity, total carbon, total organic and total inorganic carbon. None difference (P&amp;gt; 0.05; Mann-Whitney test) was found for pH and oxidation-reduction potential parameters.