Development of accurate, robust liquid equations of state for multi-phase CFD simulations with a modified AUSM+-up scheme

Eight equations of state (EOS) have been evaluated for the simulation of compressible liquid water properties, based on empirical correlations, the principle of corresponding states and thermodynamic relations. The IAPWS-IF97 EOS for water was employed as the reference case. These EOSs were coupled to a modified AUSM+-up convective flux solver to determine flow profiles for three test cases of differing flow conditions. The impact of the non-viscous interaction term discretisation scheme, interfacial pressure method and selection of low-Mach number diffusion were also compared. It was shown that a consistent discretisation scheme using the AUSM+-up solver for both the convective flux and the non-viscous interfacial term demonstrated both robustness and accuracy whilst facilitating a computationally cheaper solution than discretisation of the interfacial term independently by a central scheme. The simple empirical correlations gave excellent results in comparison to the reference IAPWS-IF97 EOS and were recommended for developmental work involving water as a cheaper and more accurate EOS than the more commonly used stiffened-gas model. The correlations based on the principles of corresponding-states and the modified Peng-Robinson cubic EOS also demonstrated a high degree of accuracy, which is promising for future work with generic fluids. Further work will encompass extension of the solver to multiple dimensions and to account for other source terms such as surface tension, along with the incorporation of phase changes. © 2013.

Comparison among MCNP-based depletion codes applied to burnup calculations of pebble-bed HTR lattices

The double-heterogeneity characterising pebble-bed high temperature reactors (HTRs) makes Monte Carlo based calculation tools the most suitable for detailed core analyses. These codes can be successfully used to predict the isotopic evolution during irradiation of the fuel of this kind of cores. At the moment, there are many computational systems based on MCNP that are available for performing depletion calculation. All these systems use MCNP to supply problem dependent fluxes and/or microscopic cross sections to the depletion module. This latter then calculates the isotopic evolution of the fuel resolving Bateman's equations. In this paper, a comparative analysis of three different MCNP-based depletion codes is performed: Montburns2.0, MCNPX2.6.0 and BGCore. Monteburns code can be considered as the reference code for HTR calculations, since it has been already verified during HTR-N and HTR-N1 EU project. All calculations have been performed on a reference model representing an infinite lattice of thorium-plutonium fuelled pebbles. The evolution of k-inf as a function of burnup has been compared, as well as the inventory of the important actinides. The k-inf comparison among the codes shows a good agreement during the entire burnup history with the maximum difference lower than 1%. The actinide inventory prediction agrees well. However significant discrepancy in Am and Cm concentrations calculated by MCNPX as compared to those of Monteburns and BGCore has been observed. This is mainly due to different Am-241 (n,γ) branching ratio utilized by the codes. The important advantage of BGCore is its significantly lower execution time required to perform considered depletion calculations. While providing reasonably accurate results BGCore runs depletion problem about two times faster than Monteburns and two to five times faster than MCNPX. © 2009 Elsevier B.V. All rights reserved.

Unified form language: A domain-specific language for weak formulations of partial differential equations

We present the Unified Form Language (UFL), which is a domain-specific language for representing weak formulations of partial differential equations with a view to numerical approximation. Features of UFL include support for variational forms and functionals, automatic differentiation of forms and expressions, arbitrary function space hierarchies formultifield problems, general differential operators and flexible tensor algebra. With these features, UFL has been used to effortlessly express finite element methods for complex systems of partial differential equations in near-mathematical notation, resulting in compact, intuitive and readable programs. We present in this work the language and its construction. An implementation of UFL is freely available as an open-source software library. The library generates abstract syntax tree representations of variational problems, which are used by other software libraries to generate concrete low-level implementations. Some application examples are presented and libraries that support UFL are highlighted. © 2014 ACM.

Response of Microcystis to copper stress - Do phenotypes of Microcystis make a difference in stress tolerance?

To elucidate the role of phenotype in stress-tolerant bloom-forming cyanobacterium Microcystis, two phenotypes of M. aeruginosa-unicellular and colonial strains were selected to investigate how they responded to copper stress. Flow cytometry (FCM) examination indicated that the percents of viable cells in unicellular and colonial Microcystis were 1.92-2.83% and 72.3-97.51%, respectively, under 0.25 mg l(-1) copper sulfate treatment for 24 h. Upon exposure to 0.25 mg l(-1) copper sulfate, the activities of antioxidative enzyme, such as superoxide dismutase (SOD) and catalase (CAT), were significantly increased in colonial Microcystis compared to unicellular Microcystis. Meanwhile, the values of the photosynthetic parameters (F-v/F-m, ETRmax and oxygen evolution rate) decreased more rapidly in unicellular Microcystis than in colonial Microcystis. The results indicate that colonial Microcystis has a higher endurance to copper than unicellular Microcystis. This suggests that the efficient treatment concentration of copper sulfate as algaecides will be dependent on the phenotypes of Microcystis. (C) 2006 Elsevier Ltd. All rights reserved.

Studies on the energy release of rice mitochondria under different conditions by means of microcalorimetry

The thermodynamic and kinetic behaviors of energy release of mitochondria isolated from rice (Oryza sative L.) were studied by using a LKB 2277 Bioactivity Monitor under different conditions. The thermogenesis curves of energy release of the rice mitochondria (which had been kept at 0-3 degreesC for 15 h and 40 day before the determination) were determined respectively at 25 and 30 degreesC, and the difference in shape of the thermogenesis curves and thermodynamic and kinetic characteristics were compared. The thermodynamic and kinetic parameters of energy release of the mitochondria in the thermogenesis increasing stage have been calculated, and the experimental thermokinetic equations of the thermogenesis have been established. The results indicated that the lower the temperature, the slower the energy release of the rice mitochondria. Both the thermogenesis and the energy release late of the rice mitochondria increased after the mitochondria was kept at lower temperature for 40 days. One can use the methods to characterize the ability of the rice mitochondria to release energy under different conditions. (C) 2001 Published by Elsevier Science B.V.

Choice of calibration equations in calibrating microwave test fixtures

The error theory of linear equation system has been applied to the calibration procedure of microwave network analyser in this article. A new explanation for the choice of the linear calibration equations is proposed and a general principle for choosing calibration equations is presented. The method can also be used to predict the occurrence of the problem of frequency limitation at some periodic frequencies. This principle is employed to the thru-short-delay (TSD) method and the solution using the chosen equations gives the most accurate results. A good agreement between the theory and the experiment has been obtained.

Anisotropic exchange splitting of excitons in (001)GaAs/Al0.3Ga0.7As superlattice studied by reflectance difference spectroscopy

Anisotropic exchange splitting (AES) is induced by the joint effects of the electron-hole exchange interaction and the symmetry reduction in quantum wells and quantum dots. A model has been developed to quantitatively obtain the electron-hole exchange energy and the hole-mixing energy of quantum wells and superlattices. In this model, the AES and the degree of polarization can both be obtained from the reflectance difference spectroscopy. Thus the electron-hole exchange energy and the hole-mixing energy can be completely separated and quantitatively deduced. By using this model, a (001)5 nm GaAs/7 nm Al0.3Ga0.7As superlattice sample subjected to [110] uniaxial strains has been investigated in detail. The n=1 heavy-hole (1H1E) exciton can be analyzed by this model. We find that the AES of quantum wells can be linearly tuned by the [110] uniaxial strains. The small uniaxial strains can only influence the hole-mixing interaction of quantum wells, but have almost no contribution to the electron-hole exchange interaction. (c) 2008 American Institute of Physics.

Measuring spin diffusion of electrons in bulk n-GaAs using circularly dichromatic absorption difference spectroscopy of spin gratings

Circular dichromatic absorption difference spectroscopy is developed to measure the spin diffusion dynamics of electrons in bulk n-GaAs. This spectroscopy has higher detection sensitivity over homodyne detection of spin-grating-diffracted signal. A model to describe circular dichromatic absorption difference signal is derived and used to fit experimental signal to retrieve decaying rate of spin gratings. A spin diffusion constant of D-s=201 +/- 25 cm(2)/s for bulk n-GaAs has been measured at room temperature using this technique and is close to electron diffusion constant (D-c), which is much different from the case in GaAs quantum wells where D-s is markedly less than D-c.

Two-dimensional simulation of high-order laterally-coupled GaAs-AlGaAs DFB laser diodes

Laterally-coupled distributed feedback (LC-DFB) laser diodes made without an epitaxial re-growth process have the advantage of a simple fabrication process. In this paper, two-dimensional optical field distribution of the fundamental quasi TE (transverse electric) mode is calculated by means of a semivectorial finite-difference method (SV-FDM). The dependence of the effective coupling coefficient (kappa(eff)) on the dutycycle of first-, second- and third-order LC-DFB LDs is investigated using modified coupled wave equations.

Investigation of GaAs/AlGaAs interfaces by reflectance-difference spectroscopy

The in-plane optical anisotropy of several GaAs/AlGaAs quantum well samples with different well widths has been measured at room temperature by reflectance-difference spectroscopy (RDS). The RDS line shapes are found to be similar in all the samples examined here, which dominantly consist of two peak-like signals corresponding to 1HH-->1E and 1LH-->1E transition. As the well width is decreased, or the 1 ML InAs layer is inserted at one interface, the intensity of the anisotropy increases quickly. Our detail analysis shows that the anisotropy mainly arises from the anisotropic interface roughness. The results demonstrate that the RDS technique is sensitive to the interface structures.

Theoretical analysis of gate voltage-controlled subband states in an AlxGa1-xN/GaN heterostructure

The subband structure and inter-subband transition as a function of gate voltage are determined by solving the Schrodinger and Poisson equations self-consistently in an AlxGa1-xN/GaN heterostructure. Different aluminum mole fraction and thickness of AlxGa1-xN barrier are considered. Calculation results show that energy difference between the first and second subband covers a wide range (from several tens to hundreds milli-electron volt) by applying different gate voltage, which corresponds to the midinfrared and long-wave infrared wavelength scope. Furthermore, such a modulation on the subband transition energy is much more pronounced for the structure with thin barrier. When the applied positive gate voltage is increased, the triangle well formed at the interface turns to be deeper and narrower, which enhances the confinement for electrons. As a result, the overlap between electron wave function at two subbands increases, and thus the optical intersubband transition also enhances its intensity. This tendency is in good agreement with the available data in the literature. (c) 2005 Elsevier B.V. All rights reserved.

Analysis of modes in a freestanding microsquare resonator by 3-D finite-difference time-domain

Modes in a microsquare resonator slab with strong vertical waveguide consisting of air/semiconductor/air are analyzed by three-dimensional (3-D) finite-difference time-domain simulation, and compared with that of two-dimensional (2-D) simulation under effective index approximation. Mode frequencies and field distributions inside the resonator obtained by the 3-D simulation are in good agreement with those of the 2-D approximation. However, field distributions at the boundary of the resonator obtained by 3-D simulation are different from that of the 2-D simulation, especially the vertical field distribution near the boundary is great different from that of the slab waveguide, which is used in the effective index approximation. Furthermore the quality factors obtained by 3-D simulation are much larger. than that by 2-D simulation for the square resonator slab with the strong vertical waveguide.

Interface-related in-plane optical anisotropy of quantum wells studied by reflectance-difference spectroscopy

The in-plane optical anisotropy of three groups of GaAs/AlGaAs quantum well structures has been studied by reflectance-difference spectroscopy (RDS). For GaAs/Al0.36Ga0.64As single QW structures, it is found that the optical anisotropy increases quickly as the well width is decreased. For an Al0.02Ga0.98As/AlAs multiple QW with a well width of 20nm, the optical anisotropy is observed not only for the transitions between ground states but also for those between the excited states with transition index n up to 5. An increase of the anisotropy with the transition energy, or equivalently the transition index n, is clearly observed. The detailed analysis shows that the observed anisotropy arises from the interface asymmetry of QWs, which is introduced by atomic segregation or anisotropic interface roughness formed during the growth of the structures. More, when the 1 ML InAs is inserted at one interface of GaAs/AlGaAs QW, the optical anisotropy of the QW can be increased by a factor of 8 due to the enhanced asymmetry of the QW. These results demonstrate clearly that the RDS is a sensitive and powerful tool for the characterization of semiconductor interfaces.

Finite-difference time-domain analysis of deformed square cavity filters with a traveling-wave-like filtering response by mode coupling

An add-drop filter based on a perfect square resonator can realize a maximum of only 25% power dropping because the confined modes are standing-wave modes. By means of mode coupling between two modes with inverse symmetry properties, a traveling-wave-like filtering response is obtained in a two-dimensional single square cavity filter with cut or circular corners by finite-difference time-domain simulation. The optimized deformation parameters for an add-drop filter can be accurately predicted as the overlapping point of the two coupling modes in an isolated deformed square cavity. More than 80% power dropping can be obtained in a deformed square cavity filter with a side length of 3.01 mu m. The free spectral region is decided by the mode spacing between modes, with the sum of the mode indices differing by 1. (c) 2007 Optical Society of America.