Efficient generation of one-group cross sections for coupled Monte Carlo depletion calculations

Coupled Monte Carlo depletion systems provide a versatile and an accurate tool for analyzing advanced thermal and fast reactor designs for a variety of fuel compositions and geometries. The main drawback of Monte Carlo-based systems is a long calculation time imposing significant restrictions on the complexity and amount of design-oriented calculations. This paper presents an alternative approach to interfacing the Monte Carlo and depletion modules aimed at addressing this problem. The main idea is to calculate the one-group cross sections for all relevant isotopes required by the depletion module in a separate module external to Monte Carlo calculations. Thus, the Monte Carlo module will produce the criticality and neutron spectrum only, without tallying of the individual isotope reaction rates. The onegroup cross section for all isotopes will be generated in a separate module by collapsing a universal multigroup (MG) cross-section library using the Monte Carlo calculated flux. Here, the term "universal" means that a single MG cross-section set will be applicable for all reactor systems and is independent of reactor characteristics such as a neutron spectrum; fuel composition; and fuel cell, assembly, and core geometries. This approach was originally proposed by Haeck et al. and implemented in the ALEPH code. Implementation of the proposed approach to Monte Carlo burnup interfacing was carried out through the BGCORE system. One-group cross sections generated by the BGCORE system were compared with those tallied directly by the MCNP code. Analysis of this comparison was carried out and led to the conclusion that in order to achieve the accuracy required for a reliable core and fuel cycle analysis, accounting for the background cross section (σ0) in the unresolved resonance energy region is essential. An extension of the one-group cross-section generation model was implemented and tested by tabulating and interpolating by a simplified σ0 model. A significant improvement of the one-group cross-section accuracy was demonstrated.

Single sublattice endotaxial phase separation driven by charge frustration in a complex oxide.

Complex transition-metal oxides are important functional materials in areas such as energy and information storage. The cubic ABO3 perovskite is an archetypal example of this class, formed by the occupation of small octahedral B-sites within an AO3 network defined by larger A cations. We show that introduction of chemically mismatched octahedral cations into a cubic perovskite oxide parent phase modifies structure and composition beyond the unit cell length scale on the B sublattice alone. This affords an endotaxial nanocomposite of two cubic perovskite phases with distinct properties. These locally B-site cation-ordered and -disordered phases share a single AO3 network and have enhanced stability against the formation of a competing hexagonal structure over the single-phase parent. Synergic integration of the distinct properties of these phases by the coherent interfaces of the composite produces solid oxide fuel cell cathode performance superior to that expected from the component phases in isolation.

Cost-effectiveness of alternative powertrains for reduced energy use and CO2 emissions in passenger vehicles

This work analysed the cost-effectiveness of avoiding carbon dioxide (CO2) emissions using advanced internal combustion engines, hybrids, plug-in hybrids, fuel cell vehicles and electric vehicles across the nine UK passenger vehicles segments. Across all vehicle types and powertrain groups, minimum installed motive power was dependent most on the time to accelerate from zero to 96.6km/h (60mph). Hybridising the powertrain reduced the difference in energy use between vehicles with slow (t z - 60 > 8 s) and fast acceleration (t z - 60 < 8 s) times. The cost premium associated with advanced powertrains was dependent most on the powertrain chosen, rather than the performance required. Improving non-powertrain components reduced vehicle road load and allowed total motive capacity to decrease by 17%, energy use by 11%, manufacturing cost premiums by 13% and CO2 emissions abatement costs by 15%. All vehicles with advanced internal combustion engines, most hybrid and plug-in hybrid powertrains reduced net CO2 emissions and had lower lifetime operating costs than the respective segment reference vehicle. Most powertrains using fuel cells and all electric vehicles had positive CO2 emissions abatement costs. However, only vehicles using advanced internal combustion engines and parallel hybrid vehicles may be attractive to consumers by the fuel savings offsetting increases in vehicle cost within two years. This work demonstrates that fuel savings are possible relative to today's fleet, but indicates that the most cost-effective way of reducing fuel consumption and CO2 emissions is by advanced combustion technologies and hybridisation with a parallel topology. © 2014 Elsevier Ltd.

The role of the sp2:sp3 substrate content in carbon supported nanotube growth

We report the growth of vertically-aligned nanotube forests, of up to 0.2 mm in height, on an 85:15 sp2:sp3 carbon support with Fe catalyst. This is achieved by purely-thermal chemical vapour deposition with the catalyst pretreated in inert environments. Pretreating the catalyst in a reducing atmosphere causes catalyst diffusion into the support and the growth of defective tubes. Other sp2:sp3 compositions, including graphite, tetrahedral amorphous carbon, and pure diamond, also lead to the growth of defective carbon morphologies. These results pave the way towards controlled growth of forests on carbon fibres. It could give rise to applications in enhanced fuel cell electrodes and better hierarchical carbon fibre-nanotube composites. © 2014 Elsevier Ltd. All rights reserved.

Three-dimensional direct numerical simulations of autoignition in turbulent non-premixed flows with simple and complex chemistry

3D Direct Numerical Simulations (DNS) of autoignition in turbulent non-premixed flows between fuel and hotter air have been carried out using both 1-step and complex chemistry consisting of a 22 species n-heptane mechanism to investigate spontaneous ignition timing and location. The simple chemistry results showed that the previous findings from 2D DNS that ignition occurred at the most reactive mixture fraction (ξMR) and at small values of the conditional scalar dissipation rate (N|ξMR) are valid also for 3D turbulent mixing fields. Performing the same simulation many times with different realizations of the initial velocity field resulted in a very narrow statistical distribution of ignition delay time, consistent with a previous conjecture that the first appearance of ignition is correlated with the low-N content of the conditional probability density function of N. The simulations with complex chemistry for conditions outside the Negative Temperature Coefficient (NTC) regime show behaviour similar to the single-step chemistry simulations. However, in the NTC regime, the most reactive mixture fraction is very rich and ignition seems to occur at high values of scalar dissipation. Copyright © 2006 by ASME.

Absolute and convective instability in gas turbine fuel injectors

Hydrodynamic instabilities in gas turbine fuel injectors help to mix the fuel and air but can sometimes lock into acoustic oscillations and contribute to thermoacoustic instability. This paper describes a linear stability analysis that predicts the frequencies and strengths of hydrodynamic instabilities and identifies the regions of the flow that cause them. It distinguishes between convective instabilities, which grow in time but are convected away by the flow, and absolute instabilities, which grow in time without being convected away. Convectively unstable flows amplify external perturbations, while absolutely unstable flows also oscillate at intrinsic frequencies. As an input, this analysis requires velocity and density fields, either from a steady but unstable solution to the Navier-Stokes equations, or from time-averaged numerical simulations. In the former case, the analysis is a predictive tool. In the latter case, it is a diagnostic tool. This technique is applied to three flows: a swirling wake at Re = 400, a single stream swirling fuel injector at Re - 106, and a lean premixed gas turbine injector with five swirling streams at Re - 106. Its application to the swirling wake demonstrates that this technique can correctly predict the frequency, growth rate and dominant wavemaker region of the flow. It also shows that the zone of absolute instability found from the spatio-temporal analysis is a good approximation to the wavemaker region, which is found by overlapping the direct and adjoint global modes. This approximation is used in the other two flows because it is difficult to calculate their adjoint global modes. Its application to the single stream fuel injector demonstrates that it can identify the regions of the flow that are responsible for generating the hydrodynamic oscillations seen in LES and experimental data. The frequencies predicted by this technique are within a few percent of the measured frequencies. The technique also explains why these oscillations become weaker when a central jet is injected along the centreline. This is because the absolutely unstable region that causes the oscillations becomes convectively unstable. Its application to the lean premixed gas turbine injector reveals that several regions of the flow are hydrodynamically unstable, each with a different frequency and a different strength. For example, it reveals that the central region of confined swirling flow is strongly absolutely unstable and sets up a precessing vortex core, which is likely to aid mixing throughout the injector. It also reveals that the region between the second and third streams is slightly absolutely unstable at a frequency that is likely to coincide with acoustic modes within the combustion chamber. This technique, coupled with knowledge of the acoustic modes in a combustion chamber, is likely to be a useful design tool for the passive control of mixing and combustion instability. Copyright © 2012 by ASME.