Point-Defect Optical Transitions and Thermal Ionization Energies from Quantum Monte Carlo Methods: Application to F-center Defect in MgO

We present an approach to calculation of point defect optical and thermal ionization energies based on the highly accurate quantum Monte Carlo methods. The use of an inherently many-body theory that directly treats electron correlation offers many improvements over the typically-employed density functional theory Kohn-Sham description. In particular, the use of quantum Monte Carlo methods can help overcome the band gap problem and obviate the need for ad-hoc corrections. We demonstrate our approach to the calculation of the optical and thermal ionization energies of the F-center defect in magnesium oxide, and obtain excellent agreement with experimental and/or other high-accuracy computational results

A new approach to estimation of the number of central synapse(s) included in the H-reflex

BACKGROUND: Among the main clinical applications of the H-reflex are the evaluation of the S1 nerve root conductivity such as radiculopathy and measurement of the excitability of the spinal motoneurons in neurological conditions. An attempt has been made to reduce the pathway over which H-reflex can be obtained in a hope to localize a lesion to the S1 nerve root, so the S1 central loop has been suggested. The main goal of this study is the estimation of the H-reflex number of synapse(s) for better understanding of the physiology of this practical reflex. METHODS: Forty healthy adult volunteers (22 males, 18 females) with the mean age of (37.7 ± 10.2) years participated in this study. They were positioned comfortably in the prone position, with their feet off the edge of the plinth. Recording electrodes were positioned at the mid point of a line connecting the mid popliteal crease to the proximal flare of the medial malleolus. Stimulation was applied at the tibial nerve in the popliteal fossa and H, F and M waves were recorded. Without any change in the location of the recording electrodes, a monopolar needle was inserted as cathode at a point 1 cm medial to the posterior superior iliac spine, perpendicular to the frontal plane. The anode electrode was placed over the anterior superior iliac spine, and then M and H waves of the central loop were recorded. After processing the data, sacral cord conduction delay was determined by this formula: * Sacral cord conduction delay = central loop of H-reflex – (delays of the proximal motor and sensory fibers in the central loop). RESULTS: The central loop of H-reflex was (6.77 ± 0.28) msec and the sacral cord conduction delay was (1.09 ± 0.06) msec. CONCLUSION: The sacral cord conduction time was estimated to be about 1.09 msec in this study and because at least 1 msec is required to transmit the signal across the synapse between the sensory ending and the motor cell, so this estimated time was sufficient for only one central synapse in this reflex

Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin

Hyperdoping has emerged as a promising method for designing semiconductors with unique optical and electronic properties, although such properties currently lack a clear microscopic explanation. Combining computational and experimental evidence, we probe the origin of sub-band gap optical absorption and metallicity in Se-hyperdoped Si. We show that sub-band gap absorption arises from direct defect-to-conduction band transitions rather than free carrier absorption. Density functional theory predicts the Se-induced insulator-to-metal transition arises from merging of defect and conduction bands, at a concentration in excellent agreement with experiment. Quantum Monte Carlo calculations confirm the critical concentration, demonstrate that correlation is important to describing the transition accurately, and suggest that it is a classic impurity-driven Mott transition.Comment: 5 pages, 3 figures (PRL formatted

Solitary and cnoidal wave scattering by a submerged horizontal plate in shallow water

Solitary and cnoidal wave transformation over a submerged, fixed, horizontal rigid plate is studied by use of the nonlinear, shallow-water Level I Green-Naghdi (GN) equations. Reflection and transmission coefficients are defined for cnoidal and solitary waves to quantify the nonlinear wave scattering. Results of the GN equations are compared with the laboratory experiments and other theoretical solutions for linear and nonlinear waves in intermediate and deep waters. The GN equations are then used to study the nonlinear wave scattering by a plate in shallow water. It is shown that in deep and intermediate depths, the wave-scattering varies nonlinearly by both the wavelength over the plate length ratio, and the submergence depth. In shallow water, however, and for long-waves, only the submergence depth appear to play a significant role on wave scattering. It is possible to define the plate submergence depth and length such that certain wave conditions are optimized above, below, or downwave of the plate for different applications. A submerged plate in shallow water can be used as a means to attenuate energy, such as in wave breakers, or used for energy focusing, and in wave energy devices

Quantitative analysis of AC losses in HTS coils below 40K for advanced electric aircraft propulsion systems

Electric or hybrid aviation technologies are increasingly recognized as pivotal for achieving net-zero emissions in the aerospace sector. Superconducting machines, characterized by their high power-to-weight ratio, are poised to fulfill the advancing propulsion requirements of this domain. The design of future cryogenic systems and the attenuation of alternating current (AC) losses in high-temperature superconducting (HTS) machines necessitate experimental data on AC losses across a spectrum of operational temperatures. Consequently, gaseous helium’s employment as a cryogen emerges as a versatile solution, catering to the operational demands of HTS power applications. Building upon our antecedent research, which delineated the fabrication of multi-filamentary HTS coils and corroborated a significant diminution in AC losses, the present study endeavors to quantify additional AC loss reductions across diverse HTS windings within a rotational machine environment, specifically under the cryogenic threshold of 40K. This investigation introduces a novel fully HTS machine, integrated with a cryogenic helium circulation system for cooling, designed to facilitate an environment conducive to measuring the AC losses in HTS stator windings at sub-40K temperatures. Subsequent to the experimental phase, Finite Element Modelling (FEM) will be employed to corroborate the findings, thereby providing a computational framework to augment future system designs. It is anticipated that the cooling strategy, leveraging a cryogenic gas circulation system, will enhance the performance and power density of fully HTS machines, culminating in an optimized machine efficiency. References 1. T. Lan et al., "Multifilament HTS Cables to Reduce AC Loss: Proof-of-Concept Experiments and Simulation," in IEEE Transactions on Applied Superconductivity, vol. 33, no. 6, pp. 1-12, Sept. 2023, Art no. 590151