Aluminium doping induced enhancement of p-d coupling in ZnO

Valence-band type Auger lines in Al doped and undoped ZnO were comparatively studied with the corresponding core level x-ray photoelectron spectrography (XPS) spectra as references. Then the shift trend of energy levels in the valence band was that p and p-s-d states move upwards but e and p-d states downwards with increasing Al concentration. The decreased energy of the Zn 3d state is larger than the increased energy of the 0 2p state, indicating the lowering of total energy. This may indicate that Al doping could induce the enhancement of p-d coupling in ZnO, which originates from stronger Al-O hybridization. The shifts of these states and the mechanism were confirmed by valence band XPS spectra and 0 K-edge x-ray absorption spectrography (XAS) spectra. Finally, some previously reported phenomena are explained based on the Al doping induced enhancement of p-d coupling.

Electronic, structural, and optical properties of crystalline yttria

The electronic structure of crystalline Y2O3 is investigated by first-principles calculations within the local-density approximation (LDA) of the density-functional theory. Results are presented for the band structure, the total density of states (DOS), the atom-and orbital-resolved partial DOS. effective charges, bond order, and charge-density distributions. Partial covalent character in the Y-O bonding is shown, and the nonequivalency of the two Y sites is demonstrated. The calculated electronic structure is compared with a variety of available experimental data. The total energy of the crystal is calculated as a function of crystal volume. A bulk modulus B of 183 Gpa and a pressure coefficient B' of 4.01 are obtained, which are in good agreement with compression data. An LDA band gap of 4.54 eV at Gamma is obtained which increases with pressure at a rate of dE(g)/dP = 0.012 eV/Gpa at the equilibrium volume. Also investigated are the optical properties of Y2O3 up to a photon energy of 20 eV. The calculated complex dielectric function and electron-energy-loss function are in good agreement with experimental data. A static dielectric constant of epsilon(O)= 3.20 is obtained. It is also found that the bottom of the conduction band consists of a single band, and direct optical transition at Gamma between the top of the valence band and the bottom of the conduction band may be symmetry forbidden.

The mechanism of energy loss and transition in a flow with submerged vegetation

The mechanism of energy balance in an open-channel flow with submerged vegetation was investigated. The energy borrowed from the local flow, energy spending caused by vegetation drag and flow resistance, and energy transition along the water depth were calculated on the basis of the computational results of velocity and Reynolds stress. Further analysis showed that the energy spending in a cross-section was a maximum around the top of the vegetation, and its value decreased progressively until reaching zero at the flume bed or water surface. The energy borrowed from the local flow in the vegetated region could not provide for spending; therefore, surplus borrowed energy in the non-vegetated region was transmitted to the vegetated region. In addition, the total energy transition in the cross-section was zero; therefore, the total energy borrowed from the flow balanced the energy loss in the whole cross-section. At the same time, we found that there were three effects of vegetation on the flow: turbulence restriction due to vegetation, turbulence source due to vegetation and energy transference due to vegetation, where the second effect was the strongest one. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

Energy-Momentum of a Cosmological Brane Model and the Gauge Hierarchy

We analyze in this paper the general covariant energy-momentum tensor of the gravitational system in general five-dimensional cosmological brane-world models. Then through calculating this energy-momentum for the cosmological generalization of the Randall-Sundrum model, which includes the original RS model as the static limit, we are able to show that the weakness of the gravitation on the "visible" brane is a general feature of this model. This is the origin of the gauge hierarchy from a gravitational point of view. Our results are also consistent with the fact that a gravitational system has vanishing total energy.

Improved BCS-type pairing for the relativistic mean-field theory

A density-dependent delta interaction (DDDI) is proposed in the formalism of BCS-type pairing correlations for exotic nuclei whose Fermi surfaces are close to the threshold of the unbound state. It provides the possibility to pick up those states whose wave functions are concentrated in the nuclear region by making the pairing matrix elements state dependent. On this basis, the energy level distributions, occupations, and ground-state properties are self-consistently studied in the RMF theory with deformation. Calculations are performed for the Sr isotopic chain. A good description of the total energy per nucleon, deformations, two-neutron separation energies and isotope shift from the proton drip line to the neutron drip line is found. Especially, by comparing the single-particle structure from the DDDI pairing interaction with that from the constant pairing interaction for a very neutron-rich nucleus it is demonstrated that the DDDI pairing method improves the treatment of the pairing in the continuum.

Theory of the near K-edge structure in electron energy loss spectroscopy

Arguments are given that lead to a formalism for calculating near K-edge structure in electron energy loss spectroscopy (EELS). This is essentially a one electron picture, while many body effects may be introduced at different levels, such as the local density approximation to density functional theory or the GW approximation to the electron self-energy. Calculations are made within the all electron LMTO scheme in crystals with complex atomic and electronic structures, and these are compared with experiment. (c) 2004 Elsevier B.V. All rights reserved.

Ab initio simulation of charged slabs at constant chemical potential

We present a practical scheme for performing ab initio supercell calculations of charged slabs at constant electron chemical potential mu, rather than at constant number of electrons N-e. To this end, we define the chemical potential relative to a plane (or "reference electrode") at a finite distance from the slab (the distance should reflect the particular geometry of the situation being modeled). To avoid a net charge in the supercell, and thus make possible a standard supercell calculation, we restore the electroneutrality of the periodically repeated unit by means of a compensating charge, whose contribution to the total energy and potential is subtracted afterwards. The "constant mu" mode enables one to perform supercell calculation on slabs, where the slab is kept at a fixed potential relative to the reference electrode. We expect this to be useful in modeling many experimental situations, especially in electro-chemistry. (C) 2001 American Institute of Physics.

Direct versus delayed pathways in strong-field non-sequential double ionization

We report full-dimensionality quantum and classical calculations of double ionization (DI) of laser-driven helium at 390 nm. Good agreement is observed. We identify the relative importance of the two main non-sequential DI pathways, the direct|with an almost simultaneous ejection of both electrons|and the delayed. We find that the delayed pathway prevails at small intensities independently of total electron energy but at high intensities the direct pathway predominates up to a certain upper-limit in total energy which increases with intensity. An explanation for this increase with intensity is provided.

Proton ordering energetics in ice phases

Results from first-principles calculations on the subtle energetics of proton ordering in ice phases are shown only to depend on the electrostatic components of the total energy. Proton ordered ice phases can therefore be predicted using electronic structure methods or a tailored potential model. However, analysis of the electron density reveals that high order multipole components, up to hexadecapole, are needed to adequately capture total energy differences between proton ordered and disordered phases. This suggests that current potential models may be unable to reproduce the position of proton ordered ice phases in the phase diagram without extensions to describe high order electrostatics. (c) 2006 Elsevier B.V. All rights reserved.

How Much Multiuser Diversity is Required for Energy Limited Multiuser Systems?

Multiuser diversity (MUDiv) is one of the central concepts in multiuser (MU) systems. In particular, MUDiv allows for scheduling among users in order to eliminate the negative effects of unfavorable channel fading conditions of some users on the system performance. Scheduling, however, consumes energy (e.g., for making users' channel state information available to the scheduler). This extra usage of energy, which could potentially be used for data transmission, can be very wasteful, especially if the number of users is large. In this paper, we answer the question of how much MUDiv is required for energy limited MU systems. Focusing on uplink MU wireless systems, we develop MU scheduling algorithms which aim at maximizing the MUDiv gain. Toward this end, we introduce a new realistic energy model which accounts for scheduling energy and describes the distribution of the total energy between scheduling and data transmission stages. Using the fact that such energy distribution can be controlled by varying the number of active users, we optimize this number by either i) minimizing the overall system bit error rate (BER) for a fixed total energy of all users in the system or ii) minimizing the total energy of all users for fixed BER requirements. We find that for a fixed number of available users, the achievable MUDiv gain can be improved by activating only a subset of users. Using asymptotic analysis and numerical simulations, we show that our approach benefits from MUDiv gains higher than that achievable by generic greedy access algorithm, which is the optimal scheduling method for energy unlimited systems. © 2010 IEEE.

An Energy Conserving Finite Difference Scheme for Simulation of Collisions

Nonlinear phenomena play an essential role in the sound production process of many musical instruments. A common source of these effects is object collision, the numerical simulation of which is known to give rise to stability
issues. This paper presents a method to construct numerical schemes that conserve the total energy in simulations of one-mass systems involving collisions, with no conditions imposed on any of the physical or numerical parameters.
This facilitates the adaptation of numerical models to experimental data, and allows a more free parameter adjustment in sound synthesis explorations. The energy preservedness of the proposed method is tested and demonstrated though several examples, including a bouncing ball and a non-linear oscillator, and implications regarding the wider applicability are discussed.

Energy balance of SRC willow used for managing farmyard washings - how does it compare to a conventional wastewater treatment works?

The water and wastewater industry in the UK accounts for around 3% of total energy use and just over 1% of total UK greenhouse gas emissions. Targets for greenhouse gas emissions reduction and higher renewable energy penetration, coupled with rising energy costs, growing demand for wastewater services and tightening EU water quality requirements, have led to an increased interest in alternative wastewater treatment methods. The use of short rotation coppice (SRC) willow for the treatment of wastewater effluent is one such alternative, which brings with it the dual benefits of wastewater treatment and production of biomass for energy. In order to assess the effectiveness of SRC willow, it is important to analyse the overall energy balance in terms of energy input versus energy output. This paper carries out an energy life cycle analysis of a specific SRC willow plantation in Northern Ireland to which farmyard washings (dirty water) are applied. The system boundaries include the establishment, maintenance, and harvesting of the plantation, along with the transport and drying of the wood for biomass combustion. The analysis shows that the overall energy balance is positive, and that the direct and indirect energy demands are 12% and 8% of gross energy production respectively. The energy demands of the plantation are compared with the energy required to treat an equivalent nutrient load in a conventional wastewater treatment plant. While a conventional plant consumes 2.6 MJ/m3 , the irrigation system consumes 1.6 MJ/m3 and the net energy production of the scenario is 48 MJ/m3 .

The radiated energy budget of Chromospheric Plasma in a major solar flare deduced from multi-wavelength observations

This paper presents measurements of the energy radiated by the lower solar atmosphere, at optical, UV, and EUV wavelengths, during an X-class solar flare (SOL2011-02-15T01:56) in response to an injection of energy assumed to be in the form of nonthermal electrons. Hard X-ray observations from RHESSI were used to track the evolution of the parameters of the nonthermal electron distribution to reveal the total power contained in flare accelerated electrons. By integrating over the duration of the impulsive phase, the total energy contained in the nonthermal electrons was found to be >2 × 1031 erg. The response of the lower solar atmosphere was measured in the free–bound EUV continua of H i (Lyman), He i, and He ii, plus the emission lines of He ii at 304 Å and H i (Lyα) at 1216 Å by SDO/EVE, the UV continua at 1600 Å and 1700 Å by SDO/AIA, and the white light continuum at 4504 Å, 5550 Å, and 6684 Å, along with the Ca ii H line at 3968 Å using Hinode/SOT. The summed energy detected by these instruments amounted to ~3 × 1030 erg; about 15% of the total nonthermal energy. The Lyα line was found to dominate the measured radiative losses. Parameters of both the driving electron distribution and the resulting chromospheric response are presented in detail to encourage the numerical modeling of flare heating for this event, to determine the depth of the solar atmosphere at which these line and continuum processes originate, and the mechanism(s) responsible for their generation.

Investigation of the process energy demand in polymer extrusion: a brief review and an experimental study

Extrusion is one of the fundamental production methods in the polymer processing industry and is used in the production of a large number of commodities in a diverse industrial sector. Being an energy intensive production method, process energy efficiency is one of the major concerns and the selection of the most energy efficient processing conditions is a key to reducing operating costs. Usually, extruders consume energy through the drive motor, barrel heaters, cooling fans, cooling water pumps, gear pumps, etc. Typically the drive motor is the largest energy consuming device in an extruder while barrel/die heaters are responsible for the second largest energy demand. This study is focused on investigating the total energy demand of an extrusion plant under various processing conditions while identifying ways to optimise the energy efficiency. Initially, a review was carried out on the monitoring and modelling of the energy consumption in polymer extrusion. Also, the power factor, energy demand and losses of a typical extrusion plant were discussed in detail. The mass throughput, total energy consumption and power factor of an extruder were experimentally observed over different processing conditions and the total extruder energy demand was modelled empirically and also using a commercially available extrusion simulation software. The experimental results show that extruder energy demand is heavily coupled between the machine, material and process parameters. The total power predicted by the simulation software exhibits a lagging offset compared with the experimental measurements. Empirical models are in good agreement with the experimental measurements and hence these can be used in studying process energy behaviour in detail and to identify ways to optimise the process energy efficiency.

Energy and energy flux in axisymmetric slow and fast waves

Aims: We aim to calculate the kinetic, magnetic, thermal, and total energy densities and the flux of energy in axisymmetric sausage modes. The resulting equations should contain as few parameters as possible to facilitate applicability for different observations. 

Methods: The background equilibrium is a one-dimensional cylindrical flux tube model with a piecewise constant radial density profile. This enables us to use linearised magnetohydrodynamic equations to calculate the energy densities and the flux of energy for axisymmetric sausage modes. 

Results: The equations used to calculate the energy densities and the flux of energy in axisymmetric sausage modes depend on the radius of the flux tube, the equilibrium sound and Alfvén speeds, the density of the plasma, the period and phase speed of the wave, and the radial or longitudinal components of the Lagrangian displacement at the flux tube boundary. Approximate relations for limiting cases of propagating slow and fast sausage modes are also obtained. We also obtained the dispersive first-order correction term to the phase speed for both the fundamental slow body mode under coronal conditions and the slow surface mode under photospheric conditions.