One- and two-center physical space partitioning of the energy in the density functional theory

A conceptually new approach is introduced for the decomposition of the molecular energy calculated at the density functional theory level of theory into sum of one- and two-atomic energy components, and is realized in the "fuzzy atoms" framework. (Fuzzy atoms mean that the three-dimensional physical space is divided into atomic regions having no sharp boundaries but exhibiting a continuous transition from one to another.) The new scheme uses the new concept of "bond order density" to calculate the diatomic exchange energy components and gives them unexpectedly close to the values calculated by the exact (Hartree-Fock) exchange for the same Kohn-Sham orbitals

First-principles calculation of the AlAs/GaAs interface band structure using a self-energy-corrected local density approximation

We apply a self-energy-corrected local density approximation (LDA) to obtain corrected bulk band gaps and to study the band offsets of AlAs grown on GaAs (AlAs/GaAs). We also investigate the Al(x)Ga(1-x)As/GaAs alloy interface, commonly employed in band gap engineering. The calculations are fully ab initio, with no adjustable parameters or experimental input, and at a computational cost comparable to traditional LDA. Our results are in good agreement with experimental values and other theoretical studies. Copyright (C) EPLA, 2011

Effect of dietary energy and stocking density on the performance and sensible heat loss of broilers reared under tropical winter conditions

The objective of the present study was to evaluate the effects of different dietary energy levels and stocking densities on the thermoregulating parameters, live performance, and carcass traits of broilers reared under tropical winter conditions at different times of the day. In total, 1,312 one-d-old male broilers were used. Birds were allotted to three different stocking densities (10, 14 or 18 birds/m²) and two dietary energy levels (2900 or 3200 kcal ME/kg). The following parameters were evaluated:radiant heat load (RHL), rectal temperature (RT), feed intake (FI), weight gain (WG), feed conversion ratio (FCR), livability (L), production of live weight per area (WA), and carcass yield. Stocking density did not affect sensible heat loss (SRL) or rectal temperature (RT); however, as expected, sensible heat loss (SRL) and RT were influenced by time of the day, with higher values in the morning and in the afternoon, respectively. There was no effect of treatment (p>0.05) on carcass or parts yield. Feed intake was reduced in 3%, whereas weight gain and feed conversion ratio improved in 8 and 10%, respectively, as dietary energy level increased. on the other hand, stocking density did not influence live performance or carcass traits. Based on the present results, it is concluded that sensible heat loss depends on dietary energy levels and particularly on time of the day. Therefore, environmental house management is suggested during tropical winters in order to reduce differences between broiler skin and environmental temperatures in the morning and in the afternoon.

Evaluation of strain, dietary energy level and stocking density on broiler feathering

This study evaluated the effects of strain, stocking density and dietary energy level on the feathering of broiler chickens. Four trials were carried out between September 2000 and April 2002. There were 10,685 broiler chicks from the strains Ross 308, Cobb 500, Hybro PG, Hubbard, MPK, and Isa Vedette. The bids were reared at stocking densities varying between 10 and 16 birds/m² and were given diets containing different metabolizable energy levels. Broiler feathering was evaluated either by atrributing scores from 1 to 10 to feather covering along the thigh and back (visual inspection), or by determining the percentage weight of the feathers at 28 and 42 days of age. Increasing rearing densities resulted in poorer feathering, mainly if 12 or 13 birds/m² were compared with 16 birds/m². The strains showed different feathering; it was better in Cobb 500 and MPK birds, whereas Hubbard birds showed poorer feathering, mostly along the back. The energy level in the diet has also affected feathering scores. Medium energy level resulted in better feathering along the back at 28 days, and the low level, in better feathering along the thigh at 35 days of age. Finally, feather scores were better in females than in males.

Gravitational Energy-Momentum Density in Teleparallel Gravity

In the context of a gauge theory for the translation group, a conserved energy-momentum gauge current for the gravitational field is obtained. It is a true spacetime and gauge tensor, and transforms covariantly under global Lorentz transformations. By rewriting the gauge gravitational field equation in a purely spacetime form, it becomes the teleparallel equivalent of Einstein's equation, and the gauge current reduces to the Møller's canonical energy-momentum density of the gravitational field.

Energy method to calculate the density of liquids using ultrasonic reflection techniques

In this work it is introduced a new approach to calculate the density of liquids in terms of the energies of the acoustic signals. This method is compared to other methods in the time domain (peak-to-peak amplitudes) and frequency domain magnitudes at a single frequency. It is used a measurement cell based on a multiple reflection technique, and it is developed an acoustic model for the cell. Simulations and experiments using several liquids are presented, showing that the energy method a less sensitive to noise than the other techniques. The relative errors in the density are smaller than 0.2% when compared to the values measured with a pycnometer.

Bounds on the density of sources of ultra-high energy cosmic rays from the Pierre Auger Observatory

We derive lower bounds on the density of sources of ultra-high energy cosmic rays from the lack of significant clustering in the arrival directions of the highest energy events detected at the Pierre Auger Observatory. The density of uniformly distributed sources of equal intrinsic intensity was found to be larger than ~(0.06 - 5) × '10 POT. -4' 'Mpc POT. -3' at 95% CL, depending on the magnitude of the magnetic deflections. Similar bounds, in the range (0.2 - 7) × '10 POT. -4' 'Mpc POT. -3', were obtained for sources following the local matter distribution.

Assessment of the mineral density and mineral content of the equine third metacarpal and first phalanx bone by dual energy x-ray absorptiometry

In the first part of this methodological study eleven metacarpi of 9 skeletally normal horses were examined from 4 directions by dual energy x-ray absorptiometry (DXA). The differences between the dorsopalmar-palmarodorsal and lateromedial-mediolateral (opposite sites) bone mineral density (BMD) values were found to be nonsignificant. In the second part of the study the precision of the Norland XR-26 densitometer was tested by measuring 34 metacarpal bones and 34 proximal phalanges, each of them three times, from a single direction. The difference between the individual measurements of the first phalanges and of the metacarpal bones originating from the right or the left side of the same horse were not significant, nor did the age or breed have a significant effect on BMD or bone mineral content (BMC). However, both BMD and BMC are greater in the metacarpal bones than in the proximal phalanges and are higher in geldings than in mares or to stallions, while the BMD or BMC values of mares and stallions did not differ from each other significantly. These data point to the necessity of further BMD studies in a higher number of patients.

Bone mineral density at distal tibia using dual-energy X-ray absorptiometry in normal women and in patients with vertebral osteoporosis or primary hyperparathyroidism

To assess the effect of age and disease on mineral distribution at the distal third of the tibia, bone mineral content (BMC) and bone mineral density (BMD) were measured at lumbar spine (spine), femoral neck (neck), and diaphysis (Dia) and distal epiphysis (Epi) of the tibia in 89 healthy control women of different age groups (20-29, n = 12; 30-39, n = 11; 40-44, n = 12; 45-49, n = 12; 50-54, n = 12; 55-59, n = 10; 60-69, n = 11; 70-79, n = 9), in 25 women with untreated vertebral osteoporosis (VOP), and in 19 women with primary hyperparathyroidism (PHPT) using dual-energy x-ray absorptiometry (DXA; Hologic QDR 1000 and standard spine software). A soft tissue simulator was used to compensate for heterogeneity of soft tissue thickness around the leg. Tibia was scanned over a length of 130 mm from the ankle joint, fibula being excluded from analysis. For BMC and BMD, 10 sections 13 mm each were analyzed separately and then pooled to define the epiphysis (Epi 13-52 mm) and diaphysis area (Dia 91-130 mm). Precision after repositioning was 1.9 and 2.1% for Epi and Dia, respectively. In the control group, at any site there was no significant difference between age groups 20-29 and 30-39, which thus were pooled to define the peak bone mass (PBM).(ABSTRACT TRUNCATED AT 250 WORDS)

Variable-density jet flows induced by concentrated sources of momentum and energy

The planar and axisymmetric variable-density flows induced in a quiescent gas by a concentrated source of momentum that is simultaneously either a source or a sink of energy are investigated for application to the description of the velocity and temperature far fields in laminar gaseous jets with either large or small values of the initial jet-to-ambient temperature ratio. The source fluxes of momentum and heat are used to construct the characteristic scales of velocity and length in the region where the density differences are of the order of the ambient density, which is slender for the large values of the Reynolds number considered herein. The problem reduces to the integration of the dimensionless boundary-layer conservation equations, giving a solution that depends on the gas transport properties but is otherwise free of parameters. The boundary conditions at the jet exit for integration are obtained by analysing the self-similar flow that appears near the heat source in planar and axisymmetric configurations and also near the heat sink in the planar case. Numerical integrations of the boundary-layer equations with these conditions give solutions that describe accurately the velocity and temperature fields of very hot planar and round jets and also of very cold plane jets in the far field region where the density and temperature differences are comparable to the ambient values. Simple scaling arguments indicate that the point source description does not apply, however, to cold round jets, whose far field region is not large compared with the jet development region, as verified by numerical integrations

Bond orientational order, molecular motion, and free energy of high-density DNA mesophases.

By equilibrating condensed DNA arrays against reservoirs of known osmotic stress and examining them with several structural probes, it has been possible to achieve a detailed thermodynamic and structural characterization of the change between two distinct regions on the liquid-crystalline phase diagram: (i) a higher density hexagonally packed region with long-range bond orientational order in the plane perpendicular to the average molecular direction and (ii) a lower density cholesteric region with fluid-like positional order. X-ray scattering on highly ordered DNA arrays at high density and with the helical axis oriented parallel to the incoming beam showed a sixfold azimuthal modulation of the first-order diffraction peak that reflects the macroscopic bond-orientational order. Transition to the less-dense cholesteric phase through osmotically controlled swelling shows the loss of this bond orientational order, which had been expected from the change in optical birefringence patterns and which is consistent with a rapid onset of molecular positional disorder. This change in order was previously inferred from intermolecular force measurements and is now confirmed by 31P NMR. Controlled reversible swelling and compaction under osmotic stress, spanning a range of densities between approximately 120 mg/ml to approximately 600 mg/ml, allow measurement of the free-energy changes throughout each phase and at the phase transition, essential information for theories of liquid-crystalline states.

Energy distribution of gamma rays scattered around a soil density probe.

At head of title: Project report.

Vortex-density fluctuations, energy spectra, and vortical regions in superfluid turbulence

Measurements of the energy spectrum and of the vortex-density fluctuation spectrum in superfluid turbulence seem to contradict each other. Using a numerical model, we show that at each instance of time the total vortex line density can be decomposed into two parts: one formed by metastable bundles of coherent vortices, and one in which the vortices are randomly oriented. We show that the former is responsible for the observed Kolmogorov energy spectrum, and the latter for the spectrum of the vortex line density fluctuations.

Efficiency and power density improvement of grid-connected hybrid renewable energy systems utilizing high frequency-based power converters

High efficiency of power converters placed between renewable energy sources and the utility grid is required to maximize the utilization of these sources. Power quality is another aspect that requires large passive elements (inductors, capacitors) to be placed between these sources and the grid. The main objective is to develop higher-level high frequency-based power converter system (HFPCS) that optimizes the use of hybrid renewable power injected into the power grid. The HFPCS provides high efficiency, reduced size of passive components, higher levels of power density realization, lower harmonic distortion, higher reliability, and lower cost. The dynamic modeling for each part in this system is developed, simulated and tested. The steady-state performance of the grid-connected hybrid power system with battery storage is analyzed. Various types of simulations were performed and a number of algorithms were developed and tested to verify the effectiveness of the power conversion topologies. A modified hysteresis-control strategy for the rectifier and the battery charging/discharging system was developed and implemented. A voltage oriented control (VOC) scheme was developed to control the energy injected into the grid. The developed HFPCS was compared experimentally with other currently available power converters. The developed HFPCS was employed inside a microgrid system infrastructure, connecting it to the power grid to verify its power transfer capabilities and grid connectivity. Grid connectivity tests verified these power transfer capabilities of the developed converter in addition to its ability of serving the load in a shared manner. In order to investigate the performance of the developed system, an experimental setup for the HF-based hybrid generation system was constructed. We designed a board containing a digital signal processor chip on which the developed control system was embedded. The board was fabricated and experimentally tested. The system's high precision requirements were verified. Each component of the system was built and tested separately, and then the whole system was connected and tested. The simulation and experimental results confirm the effectiveness of the developed converter system for grid-connected hybrid renewable energy systems as well as for hybrid electric vehicles and other industrial applications.

Electron acoustic soliton energy of the Kadomtsev-Petviashvili equation in the Earth’s magnetotail region at critical ion density

The nonlinear properties of small amplitude electron-acoustic solitary waves (EAWs) in a homogeneous system of unmagnetized collisionless plasma consisted of a cold electron fluid and isothermal ions with two different temperatures obeying Boltzmann type distributions have been investigated. A reductive perturbation method was employed to obtain the Kadomstev-Petviashvili (KP) equation. At the critical ion density, the KP equation is not appropriate for describing the system. Hence, a new set of stretched coordinates
is considered to derive the modified KP equation. Moreover, the solitary solution, soliton energy and the associated electric field at the critical ion density were computed. The present investigation can be of relevance to the electrostatic solitary structures observed in various space plasma environments, such as Earth’s magnetotail region.