In this study, we investigate the electronic and optical properties of silicon-doped beta-Ga2O3 using first-principles calculations. Four key defect configurations were analyzed: substitutional Si on a tetrahedral Ga site (Si-GaI), interstitial Si (Si-i9), and the interstitial Si-Ga vacancy complexes Si-i9-1V(GaI) and Si-i9-2V(GaI). We confirm that the substitutional Si-GaI acts as a shallow donor, raising the Fermi level into the conduction band, which is consistent with experimental data. In contrast, the interstitial Si-i9 introduces a midgap level and exhibits a smaller Bader charge compared to the substitutional case, deviating from the +4-oxidation state typically observed experimentally. Crucially, complex formation with Ga vacancies stabilizes the interstitial species. The Si-i9-1V(GaI) complex retains n-type behavior with a redshifted absorption edge. The Si-i9-2V(GaI) complex, however, introduces deeper states and a further reduced optical absorption edge below 4 eV. The comparable Bader charge and negative formation energy of these two complexes indicate that they can coexist with substitutional donors under implantation conditions. Our results provide novel insight into the mechanism behind the experimentally observed dual nature of Si in beta-Ga2O3.

The formation and electronic properties of nitrogen-related defect complexes in β-Ga_2O_3 are investigated using first-principles calculations. Starting from the energetically favorable N_i9-N_OI configuration, nitrogen atoms exhibit a strong tendency toward co-localization, leading to reduced N-N separation. However, analysis of bond lengths and electron localization function shows that these configurations do not fully attain molecular N_2 character. The role of intrinsic defects is further examined by introducing oxygen and gallium vacancies. Vacancy-assisted configurations enhance local lattice relaxation and further decrease the N-N distance. Formation energy calculations indicate that several vacancy-assisted complexes are thermodynamically favorable, while binding energy analysis confirms their stability against dissociation. Despite this, the density of states analysis reveals that all configurations introduce localized electronic states within the band gap. These states originate primarily from hybridized N-2p and O-2p orbitals and remain energetically separated from the band edges. Spin density analysis further confirms strong localization. Overall, these defect complexes act as deep trapping centers, limiting carrier transport in β-Ga_2O_3 and thereby promoting semi-insulating behavior and current blocking characteristics.

Carbon steel has proven to be an important structural and functional material that plays an irreplaceable role in the worldwide economy. The influence of carbon on the mechanical and magnetic properties of the steel is well understood. Thus, the precise knowledge of the amount of carbon content in steel is crucial. Magnetic Barkhausen noise (MBN), magnetic hysteresis loop (MHL), and impedance measurements are reliable tools to assess carbon content. In this work, a multifunctional induction coil sensor used for MBN, MHL, and impedance measurements is designed and optimized. A multifunctional measurement system using the optimized induction coil is employed to measure MBN, MHL, and impedance signals. The parabolic dependence of the maximum value of MBN envelope on carbon content in steel is theoretically analyzed and experimentally verified. Coercive field and remanence from MHL measurements as well as the maximum impedance value are found to be proportional to carbon content and their dependence is explained with analytical simulations.

In this work, hybrid density functional theory calculations are used to evaluate the structural and electronic properties and formation energies of Si-doped β-Ga2O3. Overall, eight interstitial (Sii) and two substitutional (SiGa) positions are considered. In general, our results indicate that the formation energy of such systems is significantly influenced by the charge state of the defect. It is confirmed that it is energetically more favorable for the substitution process to proceed under Ga-poor growth conditions than under Ga-rich growth conditions. Furthermore, it is confirmed that the formation of SiGaI with a tetrahedral coordination geometry is more favorable than the formation of SiGaII with an octahedral one. Out of all considered interstitial positions, due to the negative formation energy of the Si +3 charge state at i8 and i9 interstitial positions over the wide range of Fermi energy, this type of defect can be spontaneously stable. Finally, due to a local distortion caused by the presence of the interstitial atom as well as its charge state, these systems obtain a spin-polarized ground state with a noticeable magnetic moment.

This work aims to study a possible modification in the electronic structure of scandia-ceria-stabilized zirconia (10Sc1CeSZ) ceramics sintered at different temperatures. In addition to using X-ray diffraction (XRD), scanning electron microscopy (SEM) and impedance spectroscopy to investigate the structural and electrical properties, we employed X-ray photoelectron spectroscopy (XPS) to determine the chemical state information of the atoms involved, along with compositional analysis. As expected, a significant increase in grain ionic conductivity with the sintering temperature was present. This increase was accompanied by a decrease in the porosity of the samples, an increase in the grain size, and a transformation from the rhombohedral to the cubic phase. The phase transformation was detected not only using XRD, but also using XPS and, for this type of ceramic, XPS detected this transformation for the first time. In addition to the changes in the structural characteristics, the increase in the ionic conductivity was accompanied by a modification in the electronic structure of the ceramic surface. The XPS results showed that the surface of the ceramic sintered at the lower temperature of 1100 °C had a higher amount of Zr–OH bonds than the surface of the ceramic sintered at the higher temperature of 1400 °C. The existence of these Zr–OH bonds was confirmed using Fourier-transform infrared spectroscopy (FTIR). From this result, taken together with the difference between the oxygen/zirconium ratios in these ceramics, also identified using XPS, we conclude that there were fewer oxygen vacancies in the ceramic sintered at the lower temperature. It is argued that these two factors, together with the changes in the structural characteristics, have a direct influence on the conductive properties of the studied ceramics sintered at different temperatures.

We study experimentally the dynamics of one and two ball chains settling under gravity in a highly viscous silicon oil at a Reynolds number much smaller than unity. We record the motion and shape deformation using two cameras. We demonstrate that single ball chains in most cases do not tend to be planar and often rotate, not keeping the ends at the same horizontal level. Shorter ball chains usually form shapes resembling distorted U. Longer ones in the early stage of the evolution form a shape resembling distorted W, and later deform non-symmetrically and significantly out of a plane. The typical evolution of shapes observed in our experiments with single ball chains is reproduced in our numerical simulations of a single elastic filament. In the computations, the filament is modelled as a chain of beads. Consecutive beads are connected by springs. Additional springs link consecutive pairs of beads. Elastic forces are assumed to be much smaller than gravity. As a result, the fibre is very flexible. We assume that the fluid sticks to the surfaces of the beads. We perform multipole expansion of the Stokes equations, with a lubrication correction. This method is implemented in the precise HYDROMULTIPOLE numerical codes. In our experiments, two ball chains, initially one above the other, later move away or approach each other, for a larger or smaller initial distance, respectively.

An approach to controlling the three-link Robogymnast robotic gymnast and assessing stability is proposed and examined. In the study, a conventionally configured linear quadratic regulator is applied and compared with a fuzzy logic linear quadratic regulator hybrid approach for stabilising the Robogymnast. The Robogymnast is designed to replicate the movement of a human as they hang with both hands holding the high bar and then work to wing up into a handstand, still gripping the bar. The system, therefore has a securely attached link between the hand element and the ‘high bar’, which is mounted on ball bearings and can rotate freely. Moreover, in the study, a mathematical model for the system is linearised, investigating the means of determining the state space in the system by applying Lagrange’s equation. The fuzzy logic linear quadratic regulator controller is used to identify how far the system responses stabilise when it is implemented. This paper investigates factors affecting the control of swing-up in the underactuated three-link Robogymnast. Moreover, a system simulation using MATLAB Simulink is conducted to show the impact of factors including overshoot, rising, and settling time. The principal objective of the study lies in investigating how a linear quadratic regulator or fuzzy logic controller with a linear quadratic regulator (FLQR) can be applied to the Robogymnast, and to assess system behaviour under five scenarios, namely the original value, this value plus or minus ±25%, and plus or minus ±50%. In order to further assess the performance of the controllers used, a comparison is made between the outcomes found here and findings in the recent literature with fuzzy linear quadratic regulator controllers.

The purpose of this research is to design and construct a plasma radiation imaging system for fusion devices which is focused on soft X-ray region from about 2 to 15 keV photon energy. The proposed 2D diagnostic system, as opposed to conventional 1D systems, is expected to benefit from tangential field of view and to deliver new data for toroidal phenomena observations. This contribution relates to the introductory development of such 2D system laying out details on the overall design of the detecting unit (based on GEM technology) as well as on its acquisition module. The results cover also the expected photon flux and spectra foreseen for COMPASS-U device, as a first choice for testing and verification. Considerations on working medium and internal structure of the detecting sensor are presented including electrodes configurations and collecting electrode pattern. The preliminary establishments for data acquisition system are presented as well.

Virgin and Yb-implanted epitaxial ZnO films grown using atomic layer deposition (ALD) were investigated by X-ray absorption spectroscopy (XAS). XAS study revealed a strong polarization dependence of films determined by the orientation of the polarization vector of the synchrotron radiation to the sample surface. It also indicated that the implantation and subsequent annealing have an important influence on the native point defect complexes in the ZnO. Comparison of experimental spectra with the modelled ones, which are computed based on the linear combination of model spectra corresponding to the selected point defects and their complexes, confirmed the presence of donor-acceptor complexes (mV(Zn) -nV(O), m = 1,4; n = 1,2) in the samples under study. The mechanism of vacancy complexes formation is unclear as it takes place under non-equilibrium conditions, for which any theoretical method has not been well established. Exploring the 3 d -> 4 f absorption, it was found that oxidation state of Yb in ZnO is 3+, which is consistent with the XPS findings and previously conducted Resonant Photoemission Spectroscopy (RPES) investigations. The inversion of the polarization dependence for samples with different Yb fluences visible in Yb M5 spectra can be associated with a tilt of the oxygen pseudo octahedra or/and with their distortion. The analysis of the presented data suggests that the donor-acceptor complexes are present both in as grown and implanted films and may influence their electrical properties. This suggestion was confirmed by previous Hall measurements showing that the resistivity of annealed ZnO:Yb film with a fluence of 5e15 ions/cm2 decreases by about one order compared to the one with a fluence of 5e14 ions/cm(2).

In the research presented here, a Fuzzy logic controller is tuned for both a Linear Quadratic Regulator (LQR) and a proportional derivative (PD) controller, which are applied in stabilizing a multi-link robotic system called the Robogymnast. The Robogymnast imitates the activity of gymnast on the high bar swinging up to reach a vertical handstand, keeping the hands in contact with the bar. To replicate this, the section of the robotic system representing the hands is securely attached to the high bar via ball bearing mountings which can rotate freely. This study investigates problems of controlled upswing, using the underactuated, three-link Robogymnast system. The mathematical system modelling is linearised evaluating methods which employ Largran's equation for state-space determinations. The study employed a controller based on Fuzzy LQR [1] to implement the system and an evaluation was made of how far response was stabilised. This evaluation was repeated applying a Fuzzy PD controller, with comparisons of each controller's performance made. In the final part of the study, the system was simulated using MATLAB Simulink, examining a range of factors such as rise and settling time, as well as over and undershoot. This paper chiefly aims to evaluate Robogymnast implementation with a fuzzy logic/LQR controller.

This study applies a Linear Quadratic Regulator, LQR and a fuzzy logic linear quadratic regulator controller to stabilize a 3-link robot gymnast (Robogymnast) system. This system mimics manoeuvres in human acrobatics in which a person who is hanging by their hands from a high bar attempt to swing into a handstand posture while holding onto the bar. This imitation involves a secure attachment of the hand parts of the Robogymnast to a ball-bearing-mounted high bar capable of free rotation. The paper considers issues in controlling swing-up with this 3-link, underactuated system, as well as linearising the system’s mathematical model, examining approaches using Largran’s equation to determine the system’s state space. A Fuzzy-LQR controller was selected for system implementation in order to identify the extent of stabilization of responses. In addition, MATLAB Simulink was used to simulate the system to demonstrate outcomes for variables including overshoot, rising, and settling times. The main aim of the study is to examine the application of linear quadratic regulator /fuzzy logic controllers to the robotic gymnast.

Due to the nonlinear coupling, assessing the direct effect of temperature on magnetic flux leakage (MFL) signal is a complicated task. If temperature induces inner stress, it makes the problem doubly difficult, so few models are available for predicting the MFL signal under this condition. To model the effect of temperature on MFL signal, the temperature-dependent magnetic dipole models are proposed. In the first case, where the direct thermal effect is involved only, the dipole model is improved via the modified temperature-dependent Jiles-Atherton (J-A) model. While in the second case, where the combined effects of temperature and thermal stress are considered, the magnetomechanical J-A parameters are further introduced into the dipole model. The thermal stress distribution around a cylindrical through-hole defect is solved by thermoelastic and solid mechanics theories. The magnetomechanical theory is employed to analyse the stress-dependent magnetisation distribution, the key parameter in the magnetic dipole model. The verified experiments are conducted on an M250-50A non-oriented grain (NO) silicon steel specimen with a cylindrical through-hole defect. And the MFL signals predicted by both proposed models agree with the experimental results. When the direct effect of temperature is involved only, the peak-to-peak amplitude of the MFL signal (MFLpp) presents approximately linear dependence on temperature in the range from −40 °C to 60 °C. In addition, when both temperature and thermal stress are considered, the MFLpp changes as a parabolic function of temperature, this being much more significant than the direct effect. The proposed models can act as effective tools to understand the temperature and thermal stress influences on MFL signals. They are also appropriate to solve the inverse problem of sizing the defects accurately when the temperature is involved.

The effect of temperature on magnetic Barkhausen noise (MBN) can be divided into two types: the direct effect of temperature itself and the indirect effect of thermally induced stress. The theoretical model is proposed in this paper to describe the effects of temperature on the MBN signal. For the case considering the direct effect of temperature only, the analytical model allows the prediction of the effect of temperature on MBN profile, and, based on the model, a simple linear calibration curve is presented to evaluate the effect of temperature on MBN amplitude quantitatively. While for the case where the indirect effect of thermal stress is taken into account in addition to the direct effect, the proposed theoretical model allows the deduction of parabolic function for quantitative evaluation of the combined effect on MBN. Both effects of temperature on MBN, i.e., the direct only and the combined one, have been studied experimentally on 0.5 mm thickness non-oriented (NO) electrical steel and the adhesive structure of NO steel and ceramic glass, respectively. The reciprocal of the measured MBN peak amplitude (1/MBNp) in the first case shows a linear function of temperature, which agrees with the proposed linear calibration curve. While in the experiments considering the combined effects, 1/MBNp shows parabolic dependence on temperature, which is further simplified as a piecewise function for the practical applications.

Creation and development of a new diagnostics useful for future thermonuclear reactors and helpful in studying impurity profiles, MHD modes/localization, and imaging are among urgent tasks in plasma research field. Global SXR imaging for DTT device in support of power exhaust programme and its consecutive impact for plasma core is an example of applicability of such diagnostics. This contribution presents the results of the ongoing development of the elaborated plasma X-ray imaging technology focusing on the design of the relevant structure of readout electrode. In order to achieve that, the details on the expected plasma radiation for the selected scenario for DTT machine were assessed. Then, the spatial distribution of plasma radiation intensity flux that will be reaching the detector window of the GEM based detector was simulated. Taking it into account along with the physical properties of the detector, the spatial and temporal distributions of charge cloud that will be reaching the readout plane were evaluated. The special design of the readout structure has been proposed that fulfil critical conditions originated from technological and physical constraints. The final effectiveness of the GEM based detector was evaluated proving that such detector is well suited for an effective plasma radiation imaging.

We present a study of peptide reorientational dynamics in solution analyzed from the perspective of fluorescence anisotropy decay (FAD) experiments, and atomistic molecular dynamics (MD) and continuum hydrodynamics modeling. Earlier, FAD measurements and MD simulations of the model dipeptide N-acetyltryptophanamide (NATA) in explicit water and in aqueous solutions of urea, guanidinium chloride, and proline co-solvents identified excellent agreement of MD results with experimental data, indicating the presence of significant effects of peptide–solvent interactions, and the overall tumbling of the peptide could be well described by contributions from individual conformers, represented by dihedral-restrained MD. Here, we extend these studies by analyzing dynamic inhomogeneity in the solutions and by developing a hydrodynamic model (HM) of the conformer dynamics. The MD simulation data indicate the presence of markedly different dynamic microenvironments for the four studied solutions, with the average water reorientations being different in all systems, partly reflecting the bulk viscosities. Additionally, the water dynamics also exhibited a marked slowdown in the vicinity of the co-solvents, especially chloride and proline. To gain further insight, we applied the HM to predict rotational correlation times of tryptophan for the individual NATA conformers identified in MD. The hydrodynamic results were in very good agreement with MD simulations for the individual structures, showing that the HM model provides a realistic description of rotational diffusion for rigid peptide structures. Overall, our study generated new microscopic insights into the complex nature of the structure and dynamics of peptide solvation shells for systems containing water and denaturing and stabilizing co-solvents.

The structural, electronic, and magnetic properties of low-energy rhenium implanted c-Si are examined for the first time. The damage created by rhenium ions and the following partial reconstruction of the silicon host matrix after rapid thermal annealing (RTA) are investigated as a function of the fluence. Rutherford backscattering spectrometry (RBS) results reveal that the implanted ions are located in the near-surface region with the distribution maximum at about 23 nm below the surface. The analysis of rhenium-depth distribution using the McChasy code shows that the implanted Re-ions are located in the interstitial lattice positions. The RTA leads to a partial recovery of the silicon crystal structure. According to the RBS results, the formed inclusions are not coherent with the silicon host matrix causing an increase of the lattice distortion. Analysis of channeled RBS/c spectra carried out by the McChasy code revealed different levels of bent channels in damaged regions suggesting bimodal distribution of inclusions in the silicon. Studies of high-resolution X-ray photoelectron spectroscopy (XPS) conducted after the RTA showed the shift of Re 4f(7/2) binding energy (BE) by +0.68 and + 0.85 eV with respect to metallic rhenium for the samples with lower/higher fluencies, respectively. Complex XPS, density functional theory (DFT) simulations, and transmission electron microscopy (TEM) data analysis allowed us to conclude that the near-surface layer of the sample (>= 10 nm) consists of nanoinclusions with cubic and/or hexagonal ReSi. In the middle area of the samples, much larger nanoinclusions (>10/20 nm for higher/lower fluencies, respectively) containing pure metallic rhenium inside are formed. The RTA increases the magnetic moment of the sample with the lower dose nearly 20-fold, whereas in the sample with the higher dose a 3-fold increment is observed only. The magnetic response of the examined systems after the RTA indicates a presence of magnetic interactions between the nanoinclusions resulting in the system exhibiting super-spin glass or super-ferromagnetism. (C) 2020 Elsevier B.V. All rights reserved.

After the problem of high-temperature plasma confinement, construction of diagnostics that is able to identify plasma contamination with impurities and to determine impurity distribution is another critically important issue. Solution of this problem would enable progress towards the success in controlled thermonuclear fusion. A new diagnostics, based on Gas Electron Multiplier (GEM) technology, has been recently developed for poloidal tomography focused on radiation of the metal impurities by monitoring in Soft X-Ray (SXR) region. GEM based detectors would undergo much less damage by neutrons than standard semiconductor diodes which results in better operational stability. This paper emphasizes the results of the latest examination of this type of detectors, showing influence of the charging-up effect on the detector performance and its physical properties for expected plasma radiation intensity. In addition, an undesired influence of aging of the detector window's material on the performance of the GEM detector is also shown: regular (moderate or active) usage could lead to changes of material's morphology as well as its composition. This study confirms the importance of further research into material's optimization of GEM detectors used as a base for SXR tomographic diagnostics aimed to work under different plasma radiation conditions.

Assessing the effect of defect induced stresses on magnetic flux leakage (MFL) signals is a complicated task due to nonlinear magnetomechanical coupling. To facilitate the analysis, a multi-physics finite elemental simulation model is proposed based on magnetomechanical theory. The model works by quasi-statically computing the stress distribution in the specimen, which is then inherited to solve the nonlinear magnetic problem dynamically. The converged solution allows identification and extraction of the MFL signal induced by the defect along the sensor scanning line. Experiments are conducted on an AISI 1045 steel specimen, i.e. a dog-bone shaped rod with a cylindrical square-notch defect. The experiments confirm the validity of the proposed model that predicted a linear dependency of the peak-to-peak amplitude of the normalized MFL signal on applied stress. Besides identifying the effect of stress on the induced MFL signal, the proposed model is also suitable for solving the inverse problem of sizing the defects when stress is involved.

Resonant photoemission spectroscopy (APES), which is a useful tool for extracting photoemission response of the localized Rare Earth (RE) impurity levels from the host electronic band structure, was used to study ZnO:Yb films. The resonant enhancement of the photoemission signal at binding energy around 7.5 and 11.7 eV was observed when photon energy was tuned to the Yb 4d-4f absorption threshold (182 eV). It was found that the 4f and the valence band (VB) maximum binding energies do not depend on the Yb dose, suggesting that the measurement of only one concentration is sufficient to determine the binding energies of the Yb 4f in the examined system. Subsequent annealing did not change the arrangements of implanted ytterbium atoms in host matrix: the majority of them remain in 3 + state having pseudo-octahedral local arrangement similar to Yb2O3.