Axial discontinuity factors for the nodal diffusion analysis of high conversion BWR cores

High conversion LWRs concepts typically rely on a heterogeneous core configuration, where fissile zones are interspersed with fertile blanket zones in order to achieve a high conversion ratio. Modeling such a heterogeneous structure of these cores represents a significant challenge to the conventional reactor analysis methods. It was recently suggested to overcome such difficulties, in particular, for the case of axially heterogeneous reduced moderation BWRs, by introducing an additional set of discontinuity factors in axial direction at the interfaces between fissile and fertile fuel assembly zones. However, none of the existing nodal diffusion core simulators have the capability of accounting for discontinuity of homogeneous nodal fluxes in axial direction since the fuel composition of conventional LWRs is much more axially uniform. In this work, we modified the nodal diffusion code DYN3D by introducing such a capability. The new version of the code was tested on a series of reduced moderation BWR cases with Th-U233 and U-Pu-MA fuel. The library of few-group homogenized cross sections and the data required for the calculation of discontinuity factors were generated using the Monte Carlo transport code Serpent. The results obtained with the modified version of DYN3D were compared with the reference Monte Carlo solutions and were found to be in good agreement. The current analysis demonstrates that high conversion LWRs can in principle be modeled using existing nodal diffusion core simulators. © 2013 Elsevier Ltd. All rights reserved.

Numerically stable Monte Carlo-burnup-thermal hydraulic coupling schemes

This paper presents stochastic implicit coupling method intended for use in Monte-Carlo (MC) based reactor analysis systems that include burnup and thermal hydraulic (TH) feedbacks. Both feedbacks are essential for accurate modeling of advanced reactor designs and analyses of associated fuel cycles. In particular, we investigate the effect of different burnup-TH coupling schemes on the numerical stability and accuracy of coupled MC calculations. First, we present the beginning of time step method which is the most commonly used. The accuracy of this method depends on the time step length and it is only conditionally stable. This work demonstrates that even for relatively short time steps, this method can be numerically unstable. Namely, the spatial distribution of neutronic and thermal hydraulic parameters, such as nuclide densities and temperatures, exhibit oscillatory behavior. To address the numerical stability issue, new implicit stochastic methods are proposed. The methods solve the depletion and TH problems simultaneously and use under-relaxation to speed up convergence. These methods are numerically stable and accurate even for relatively large time steps and require less computation time than the existing methods. © 2013 Elsevier Ltd. All rights reserved.

Generation of SFR few-group constants using the Monte Carlo code serpent

In this study, the Serpent Monte Carlo code was used as a tool for preparation of homogenized few-group cross sections for the nodal diffusion analysis of Sodium cooled Fast Reactor (SFR) cores. Few-group constants for two reference SFR cores were generated by Serpent and then employed by nodal diffusion code DYN3D in 2D full core calculations. The DYN3D results were verified against the references full core Serpent Monte Carlo solutions. A good agreement between the reference Monte Carlo and nodal diffusion results was observed demonstrating the feasibility of using Serpent for generation of few-group constants for the deterministic SFR analysis.

Growth kinetics and uniform scaling-up of graphene synthesis

Chemical vapor deposition on copper is the most widely used method to synthesize graphene at large scale. However, the clear understanding of the fundamental mechanisms that govern this synthesis is lacking. Using a vertical-flow, cold-wall reactor with short gas residence time we observe the early growths to study the kinetics of chemical vapor deposition of graphene on copper foils and demonstrate uniform synthesis at wafer scale. Our results indicate that the growth is limited by the catalytic dissociative dehydrogenation on the surface and copper sublimation hinders the graphene growth. We report an activation energy of 3.1 eV for ethylene-based graphene synthesis. © The Electrochemical Society.

CO2-gasification of a lignite coal in the presence of an iron-based oxygen carrier for chemical-looping combustion

Chemical-looping combustion (CLC) has the inherent property of separating the product CO2 from flue gases. Instead of air, it uses an oxygen carrier, usually in the form of a metal oxide, to provide oxygen for combustion. All techniques so far proposed for chemical looping with solid fuels involve initially the gasification of the solid fuel in order for the gaseous products to react with the oxygen carrier. Here, the rates of gasification of coal were compared when gasification was undertaken in a fluidised bed of either (i) an active Fe-based oxygen carrier used for chemical looping or (ii) inert sand. This enabled an examination of the ability of chemical looping materials to enhance the rate of gasification of solid fuels. Batch gasification and chemical-looping combustion experiments with a German lignite and its char are reported, using an electrically-heated fluidised bed reactor at temperatures from 1073 to 1223 K. The fluidising gas was CO2 in nitrogen. The kinetics of the gasification were found to be significantly faster in the presence of the oxygen carrier, especially at temperatures above 1123 K. A numerical model was developed to account for external and internal mass transfer and for the effect of the looping agent. The model also included the effects of the evolution of the pore structure at different conversions. The presence of Fe2O3 led to an increase in the rate of gasification because of the rapid oxidation of CO by the oxygen carrier to CO2. This resulted in the removal of CO and maintained a higher mole fraction of CO2 in the mixture of gas around the particle of char, i.e. within the mass transfer boundary layer surrounding the particle. This effect was most prominent at about 20% conversion when (i) the surface area for reaction was at its maximum and (ii) because of the accompanying increase in porosity and pore size, intraparticle resistance to gas mass transfer within the particle of char had fallen, compared with that in the initial particle. Excellent agreement was observed between the rates predicted by the numerical model and those observed experimentally. ©2013 Elsevier Ltd. All rights reserved.

Influence of turbulence-chemistry interaction for n-heptane spray combustion under diesel engine conditions with emphasis on soot formation and oxidation

The influence of the turbulence-chemistry interaction (TCI) for n-heptane sprays under diesel engine conditions has been investigated by means of computational fluid dynamics (CFD) simulations. The conditional moment closure approach, which has been previously validated thoroughly for such flows, and the homogeneous reactor (i.e. no turbulent combustion model) approach have been compared, in view of the recent resurgence of the latter approaches for diesel engine CFD. Experimental data available from a constant-volume combustion chamber have been used for model validation purposes for a broad range of conditions including variations in ambient oxygen (8-21% by vol.), ambient temperature (900 and 1000 K) and ambient density (14.8 and 30 kg/m3). The results from both numerical approaches have been compared to the experimental values of ignition delay (ID), flame lift-off length (LOL), and soot volume fraction distributions. TCI was found to have a weak influence on ignition delay for the conditions simulated, attributed to the low values of the scalar dissipation relative to the critical value above which auto-ignition does not occur. In contrast, the flame LOL was considerably affected, in particular at low oxygen concentrations. Quasi-steady soot formation was similar; however, pronounced differences in soot oxidation behaviour are reported. The differences were further emphasised for a case with short injection duration: in such conditions, TCI was found to play a major role concerning the soot oxidation behaviour because of the importance of soot-oxidiser structure in mixture fraction space. Neglecting TCI leads to a strong over-estimation of soot oxidation after the end of injection. The results suggest that for some engines, and for some phenomena, the neglect of turbulent fluctuations may lead to predictions of acceptable engineering accuracy, but that a proper turbulent combustion model is needed for more reliable results. © 2014 Taylor & Francis.

Effects of disk rotation rate on the growth of ZnO films by low-pressure metal-organic chemical vapor deposition

ZnO films were grown at low pressure in a vertical metal-organic vapor deposition (MOCVD) reactor with a rotating disk. The structural and morphological properties of the ZnO films grown at different disk rotation rate (DRR) were investigated. The growth rate increases with the increase of DRR. The ZnO film grown at the DRR of 450 revolutions per minute (rpm) has the lowest X-ray rocking curve full width at half maximum and shows the best crystalline quality and morphology. In addition, the crystalline quality and morphology are improved as the DRR increased but both are degraded when the DRR is higher than 450 rpm. These results can help improve in understanding the rotation effects on the ZnO films grown by MOCVD. (C) 2007 Elsevier B.V. All rights reserved.

Characterization of Thick GaN Films Directly Grown on Wet-Etching Patterned Sapphire by HVPE

Thick GaN films of high quality are directly grown on wet-etching patterned sapphire in a vertical hydride vapour phase epitaxy reactor. The optical and structural properties of GaN films are studied using scanning electronic microscopy and cathodoluminescence. Test results show that initial growth of hydride vapour phase epitaxy GaN occurs not only on the mesas but also on the two asymmetric sidewalls of the V-shaped grooves without selectivity. After the two-step coalescence near the interface, the GaN films near the surface keep on growing along the direction perpendicular to the long sidewall. Based on Raman results, GaN of the coalescence region in the grooves has the maximum residual stress and poor crystalline quality over the whole GaN film, and the coalescence process can release the stress. Therefore, stress-free thick GaN films are prepared with smooth and crack-free surfaces by this particular growth mode on wet-etching patterned sapphire substrates.

Hillocks and hexagonal pits in a thick film grown by HVPE

A GaN film with a thickness of 250 mu m was grown on a GaN/sapphire template in a vertical hydride vapor phase epitaxy (HVPE) reactor. The full-width at half-maximum (FWHM) values of the film were 141 and 498 arcsec for the (0 0 2) and (1 0 2) reflections, respectively. A sharp band-edge emission with a FWHM of 20 meV at 50 K was observed, which corresponded to good crystalline quality of the film. Some almost circular-shaped hillocks located in the spiral growth center were found on the film surface with dimensions of 100 mu m, whose origin was related to screw dislocations and micropipes. Meanwhile, large hexagonal pits also appeared on the film surface, which had six triangular {1 0 (1) over bar 1} facets. The strong emission in the pits was dominated by an impurity-related emission at 377 nm, which could have been a high-concentration oxygen impurity. (c) 2008 Elsevier Ltd. All rights reserved.

Cathodoluminescence and Raman research of V-shape inverted pyramid in HVPE grown GaN film

Thick GaN films with high quality have been grown on (0001) sapphire substrate in a home-made vertical HVPE reactor. Micron-size hexagonal pits with inverted pyramid shape appear on the film surface, which have six triangular {10-11} facets. These I {10-11} facets show strong luminescence emission and are characteristic of doped n-type materials. Broad red emission is suppressed in {10-11} facets and is only found at the flat region out of the pit, which is related with the decreasing defects on {10-11} facets. Low CL emission intensity is observed at the apex of V-shape pits due to the enhanced nonradiative recombination. Raman spectra show that there are higher carrier concentration and low strain in the pit in comparison to the flat region out of the pit. The strain relaxation may be the main mechanism of the V-shape pits formation on the GaN film surface. (c) 2006 Elsevier B.V. All rights reserved.

Spatial variation of optical and structural properties of ELO GaN directly grown on patterned sapphire by HVPE

A 275 mu m thick GaN layer was directly grown on the SiO2-prepatterned sapphire in a home-built vertical hydride vapour phase epitaxy (HVPE) reactor. The variation of optical and structure characteristics were microscopically identified using spatially resolved cathodeluminescence and micro-Raman spectroscopy in a cross section of the thick film. The D X-0(A) line with the FWHM of 5.1 meV and etch- pit density of 9 x 10(6) cm(-2) illustrated high crystalline quality of the thick GaN epitaxial layer. Optically active regions appeared above the SiO2 masks and disappeared abruptly due to the tapered inversion domains at 210 - 230 mu m thickness. The crystalline quality was improved by increasing the thickness of the GaN/sapphire interface, but the region with a distance of 2 mu m from the top surface revealed relatively low quality due to degenerate surface reconstruction by residual gas reaction. The x-ray rocking curve for the symmetric (0 0 2) and asymmetric (1 0 2) reflections also showed good quality and a small wing tilt of the epitaxial lateral overgrowth (ELO) GaN.

Growth of AlGaN epitaxial film with high Al content by metalorganic chemical vapour deposition

A high-Al-content AlGaN epilayer is grown on a low-temperature-deposited AlN buffer on (0001) sapphire by low pressure metalorganic chemical vapour deposition. The dependence of surface roughness, tilted mosaicity, and twisted mosaicity on the conditions of the AlGaN epilayer deposition is evaluated. An AlGaN epilayer with favourable surface morphology and crystal quality is deposited on a 20 nm low-temperature-deposited AlN buffer at a low V/III flow ratio of 783 and at a low reactor pressure of 100 Torr, and the adduct reaction between trimethylaluminium and NH3 is considered.

Columnar structures and stress relaxation in thick GaN films grown on sapphire by HVPE

Thick GaN films with high quality are directly grown on sapphire in a home-built vertical hydride vapour phase epitaxy (HVPE) reactor. The optical and structural properties of large scale columnar do-mains near the interface are studied using cathodoluminescence and micro-Raman scattering. These columnar do-mains Show a strong emission intensity due to extremely high free carrier concentration up to 2 x 10(19) cm(-3), which are related with impurities trapped in structural defects. The compressive stress in GaN Elm clearly decreases with increasing distance from interface. The quasi-continuous columnar domains play an important role in the stress relaxation for the upper high quality layer.

Parasitic reaction and its effect on the growth rate of AlN by metalorganic chemical vapor deposition

The Al composition of metalorganic chemical vapor deposition (MOCVD)-grown AlGaN alloy layers is found to be greatly influenced by the parasitic reaction between ammonia (NH3) and trimethylaluminum (TMAI). The growth process of AlN is carefully investigated by monitoring the in situ optical reflection. The abnormal dependencies of growth rate on growth temperature, reactor pressure, and flux of NH3 are observed and can be well explained by the effect of parasitic reaction. The increase of growth rate with increasing flux of TMAI is found to depend on the growth temperature and reactor pressure due to the presence of parasitic effect. A relatively low growth temperature and a reduced reactor pressure are suggested for the effective decrease of parasitic reaction during the MOCVD growth of AlN and probably lead to a more effective incorporation of Al into the AlGaN layers. (c) 2005 Elsevier B.V. All rights reserved.

In situ doping of 3C-SiC grown on (0001) sapphire substrates by LPCVD

The heteroepitaxial growth of n-type and p-type 3C-SiC on (0001) sapphire substrates has been performed with a supply of SiH4+C2H4+H-2 system by introducing ammonia (NH3) and diborane (B2H6) precursors, respectively, into gas mixtures. Intentionally incorporated nitrogen impurity levels were affected by changing the Si/C ratio within the growth reactor. As an acceptor, boron can be added uniformly into the growing 3C-SiC epilayers. Nitrogen-doped 3C-SiC epilayers were n-type conduction, and boron-doped epilayers were p-type and probably heavily compensated.