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

Surface electromyography pattern of human swallowing

<p>Abstract</p> <p>Background</p> <p>The physiology of swallowing is characterized by a complex and coordinated activation of many stomatognathic, pharyngeal, and laryngeal muscles. Kinetics and electromyographic studies have widely investigated the pharyngeal and laryngeal pattern of deglutition in order to point out the differences between normal and dysphagic people. In the dental field, muscular activation during swallowing is believed to be the cause of malocclusion.</p> <p>Despite the clinical importance given to spontaneous swallowing, few physiologic works have studied stomatognathic muscular activation and mandibular movement during spontaneous saliva swallowing.</p> <p>The aim of our study was to investigate the activity patterns of the mandibular elevator muscles (masseter and anterior temporalis muscles), the submental muscles, and the neck muscles (sternocleidomastoid muscles) in healthy people during spontaneous swallowing of saliva and to relate the muscular activities to mandibular movement.</p> <p>Methods</p> <p>The spontaneous swallowing of saliva of 111 healthy individuals was analyzed using surface electromyography (SEMG) and a computerized kinesiography of mandibular movement.</p> <p>Results</p> <p>Fifty-seven of 111 patients swallowed without occlusal contact (SNOC) and 54 individuals had occlusal contact (SOC). The sternocleidomastoid muscles showed a slight, but constant activation during swallowing. The SEMG of the submental and sternocleidomastoid muscles showed no differences between the two groups. The SEMG of the anterior temporalis and masseter muscles showed significant differences (p < 0.0001). The duration of swallowing was significantly higher in the SNOC subjects. Gender and age were not related to electromyographic activation. Healthy SOC and SNOC behaved in different ways.</p> <p>Conclusion</p> <p>The data suggest that there is not a single "normal" or "typical" pattern for spontaneous saliva swallowing. The polygraph seemed a valuable, simple, non-invasive and reliable tool to study the physiology of swallowing.</p