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Materials Signatures of Metallic Phases (Final Report)

This report summarizes key accomplishments from a 2 year Laboratory Directed Research and Development (LDRD) project focused on advancing nanoscale characterization of metallic particulates and synthesis of laboratory-scale analogs. We successfully developed and refined nanoscale crystallography techniques with significantly improved spatial resolution and throughput compared to traditional transmission electron microscopy. We also established nanotomography capabilities for 3D particle reconstruction and began optimizing throughput for broader application. Additionally, we demonstrated the ability to relocate and characterize individual particles using atomic force microscopy (AFM), providing insights into hardness, conductivity, and magnetic behavior. On the synthesis front, we leveraged controlled and combustion-based methods to investigate annealing effects and rapid oxidation behavior of U–Fe–Ni compounds. These efforts collectively enhance our ability to characterize and interpret particulate formation and transformation under relevant conditions.

36 MATERIALS SCIENCE↗

Simulations of Low Mach Number Reactive Flows Coupled with Electric Fields

Applying electric fields to flames can provide an effective, non-invasive control of the combustion process. In this work, an algorithm recently introduced to handle the interactions between reactive flows and an electric field is extended to handle multiple dimensions and adaptive mesh refinement (AMR), and applied to a series of laminar flames. Experimental data allows to validate the ability of the algorithm to capture the mechanisms driving the flame response to electric fields.

electric fields↗

Simulations of Low Mach Number Reactive Flows Coupled with Electric Fields: Preprint

Applying electric fields to flames can provide an effective, non-invasive control of the combustion process. In this work, an algorithm recently introduced to handle the interactions between reactive flows and an electric field is extended to handle multiple dimensions and adaptive mesh refinement (AMR), and applied to a series of laminar flames. Experimental data allows to validate the ability of the algorithm to capture the mechanisms driving the flame response to electric fields.

electric field↗

sCO2 Primary Power Large-Scale Pilot Plant FEED Summary

Echogen Power Systems and its project partners the Electric Power Research Institute, CDM Smith, Riley Power Inc. (a Babcock Power Inc. company), and the University of Missouri completed the Front-End Engineering Design (FEED) study of a nominal 10 MWe supercritical carbon dioxide (sCO2) large-scale pilot plant based on Recompression Brayton Cycle (RCBC) architecture. The FEED study was completed under Phase II of the U.S. Department of Energy Fossil Fuel Large-Scale Pilots program. The FEED study scope included the preliminary design of the combustion and environmental control systems, the primary heater, the sCO2 power cycle and its associated turbomachinery, and the balance of plant equipment to determine accurate cost and schedule requirements for fabrication and installation of the system at the University of Missouri’s Combined Cooling, Heat, and Power Plant, located in Columbia, Missouri. The RCBC sCO2 cycle presents superior thermodynamic efficiency compared to steam-Rankine cycles and is adaptable to a broad range of heat sources. The risk aversion of the power generation industry requires a successful large-scale pilot plant demonstration to enable financing and deployment of commercial-scale plants. Therefore, successful construction and demonstration of a 10 MWe RCBC sCO2 power plant would empower a transformational step forward for the efficiency of the next generation of utility power plants. This paper provides details on the primary heater, environmental control systems, and sCO2 power cycle design and performance.

01 COAL, LIGNITE, AND PEAT↗

Initial Results on a New Light-Duty 2.7-L Opposed-Piston Gasoline Compression Ignition Multi-Cylinder Engine

Abstract Gasoline compression ignition (GCI) is a cost-effective approach to achieving diesel-like efficiencies with low emissions. The fundamental architecture of the two-stroke Achates Power Opposed-Piston (OP) Engine enables GCI by decoupling piston motion from cylinder scavenging, allowing for flexible and independent control of cylinder residual fraction and temperature leading to improved low-load combustion. In addition, the high peak cylinder pressure and noise challenges at high-load operation are mitigated by the lower brake mean effective pressure (BMEP) operation and faster heat release for the same pressure rise rate of the OP Engine. These advantages further solidify the performance benefits of the OP Engine and demonstrate the near-term feasibility of advanced combustion technologies, enabled by the opposed-piston architecture. This paper presents initial results from steady-state testing on a brand new 2.7-L OP GCI multi-cylinder engine (MCE) designed for light-duty truck applications. Successful GCI operation calls for a high compression ratio (CR), leading to higher combustion stability at low loads, higher efficiencies, and lower cycle HC + NOX emissions. Initial results show a cycle average brake thermal efficiency (BTE) of 31.7%, which is already greater than 11% conventional engines, after only ten weeks of testing. Emissions results suggest that Tier 3 Bin 160 levels can be achieved using a traditional diesel after-treatment system. Combustion noise was well controlled at or below the United States Council for Automotive Research limits. In addition, initial results on catalyst light-off mode with GCI are also presented.

Energy & Fuels↗

Dynamic response of nanosecond repetitively pulsed discharges to combustion dynamics: regime transitions driven by flame oscillations

Abstract When using nanosecond repetitively pulsed discharges to actuate on dynamic combustion instabilities, the environment the discharge is created in is unsteady and changing on the timescale of the combustion processes. As a result, individual discharge pulses are triggered in a background gas that evolves at the timescale of combustion dynamics, and pulse-to-pulse variations may be observed during the instability cycle. Prior work has studied nanosecond pulsed discharges in pin-to-ring configurations used to control instabilities in lean-operating swirl-stabilized combustors, and observed variable discharge behavior. The focus of this work is on characterizing how the pulse-to-pulse discharge morphology, energy deposition, and actuation authority, evolve during the combustion instability cycle. This has important implications for designing effective plasma-assisted combustion control schemes. The discharge is observed in two distinct modes, a streamer corona and a nanosecond spark, with the occurrence of each regime directly linked to the phase of the combustor instability. Variation of pulse repetition frequency affects the total fraction of pulses in each mode, while variation of voltage affects the onset of the nanosecond spark mode. The transitions are described in terms of ratios of the relevant combustion and plasma timescales and the implications of this coupled interaction on the design of an effective control scheme is discussed.

Physics↗

Advanced Engine and Fuel Technologies Annual Progress Report (FY2019)

On behalf of the Vehicle Technologies Office of the U.S. Department of Energy, we are pleased to introduce the Fiscal Year (FY) 2019 Annual Progress Report for the Advanced Engine and Fuel Technologies Program. In support of the Vehicle Technology Office’s goal for future U.S. economic growth, the Program focuses on early-stage research and development to improve understanding of combustion processes, fuel properties, and emissions control technologies, generating knowledge and insight necessary for industry to cost-effectively develop the next generation of engines and fuels. One of the most promising and cost-effective approaches to improving the fuel economy of the U.S. vehicle fleet is to introduce the next generation of higher-efficiency, very-low-emission combustion engines that meet future federal emissions regulations into the passenger and commercial vehicle markets. Advanced fuel formulations that can incorporate non-petroleum-based blending agents could further enhance engine efficiency, reduce greenhouse gas emissions, and provide fuel diversification. Also, innovations in combustion, fuels, emissions control, air control, turbomachinery, and energy recovery could potentially increase fuel economy considerably compared to today’s vehicles. The expected national economic, environmental, and energy security benefits from these next-generation engines and fuels would be significant inasmuch as the majority of vehicles sold over the next several decades will still include an engine. The Program has set the following goals for passenger and commercial vehicle fuel economy improvements. By 2030, increase light-duty engine efficiency to demonstrate 35% improvement in passenger vehicle fuel economy (25% improvement from engine efficiency and 10% from fuel co-optimization) relative to a 2015 baseline vehicle, while meeting the U.S. Environmental Protection Agency Tier 3 Emission and Fuel Standards. By 2030, improve heavy-duty engine efficiency by 35% relative to a 2009 baseline vehicle and identify cost-effective high-performance fuels that can further increase efficiency up to an additional 4%, while meeting prevailing U.S. Environmental Protection Agency emissions standards. The Program utilized advanced combustion processes to increase engine efficiency, resulting in a modeled passenger vehicle fuel economy improvement of 19.4% (over a Model Year 2015 baseline) in FY 2019. This report highlights progress achieved by the Advanced Engine and Fuel Technologies Program during FY 2019. The nature, current focus, and recent progress of the Program are described together with summaries of National Laboratory, industry, and university projects that provide an overview of the exciting work being conducted to address critical technical barriers and challenges to commercializing the next generation of higher-efficiency engine, emissions control, and fuel technologies for passenger and commercial vehicles.

33 ADVANCED PROPULSION SYSTEMS↗

Heavy-Duty Mixed-Controlled Compression Ignition: Fuel Effects and Ducted Fuel Injection.

This project is focused on developing advanced combustion strategies for mixing-controlled compression ignition (MCCI, i.e., diesel-cycle) engines that are synergistic with renewable and/or unconventional fuels in a manner that enhances domestic energy security, economic competitiveness, and environmental quality. During this reporting period, the two focus areas were ducted fuel injection (DFI) and surrogate diesel fuels.

33 ADVANCED PROPULSION SYSTEMS↗

Verification of diesel spray ignition phenomenon in dual-fuel diesel-piloted premixed natural gas engine

Dual-fuel (DF) engines, in which premixed natural gas and air in an open-type combustion chamber is ignited by diesel-fuel pilot sprays, have been more popular for marine use than pre-chamber spark ignition (PCSI) engines because of their superior durability. However, control of ignition and combustion in DF engines is more difficult than in PCSI engines. In this context, here we focus on the ignition stability of n-heptane pilot-fuel jets injected into a compressed premixed charge of natural gas and air at low-load conditions. To aid understanding of the experimental data, chemical-kinetics simulations were carried out in a simplified engine-environment that provided insight into the chemical effects of methane (CH4) on pilot-fuel ignition. The simulations reveal that CH4 has an effect on both stages of n-heptane autoignition: the small, first-stage, cool-flame-type, low-temperature ignition (LTI) and the larger, second-stage, high-temperature ignition (HTI). As the ratio of pilot-fuel to CH4 entrained into the spray decreases, the initial oxidization of CH4 consumes the OH radicals produced by pilot-fuel decomposition during LTI, thereby inhibiting its progression to HTI. Using imaging diagnostics, the spatial and temporal progression of LTI and HTI in DF combustion are measured in a heavy-duty optical engine, and the imaging data are analyzed to understand the cause of severe fluctuations in ignition timing and combustion completeness at low-load conditions. Images of cool-flame and hydroxyl radical (OH*) chemiluminescence serve as indicators of LTI and HTI, respectively. The cycle-to-cycle and spatial variation in ignition extracted from the imaging data are used as key metrics of comparison. The imaging data indicate that the local concentration of the pilot-fuel and the richness of the surrounding natural-gas air mixture are important for LTI and HTI, but in different ways. In particular, higher injection pressures and shorter injection durations increase the mixing rate, leading to lower concentrations of pilot-fuel more quickly, which can inhibit HTI even as LTI remains relatively robust. Decreasing the injection pressure from 80 MPa to 40 MPa and increasing the injection duration from 500 µs to 760 µs maintained constant pilot-fuel mass, while promoting robust transition from LTI to HTI by effectively slowing the mixing rate. This allows enough residence time for the OH radicals, produced by the two-stage ignition chemistry of the pilot-fuel, to accelerate the transition from LTI to HTI before being consumed by CH4 oxidation. Thus from a practical perspective, for a premixed natural gas fuel–air equivalence-ratio, it is possible to improve the “stability” of the combustion process by solely manipulating the pilot-fuel injection parameters while maintaining constant mass of injected pilot-fuel. This allows for tailoring mixing trajectories to offset changes in fuel ignition chemistry, so as to promote a robust transition from LTI to HTI by changing the balance between the local concentration of the pilot-fuel and richness of the premixed natural gas and air. This could prove to be a valuable tool for combustion design to improve fuel efficiency or reduce noise or perhaps even reduce heat-transfer losses by locating early combustion away from in-cylinder walls.

42 ENGINEERING↗

Nitrogen evolution, NO X formation and reduction in pressurized oxy coal combustion

Oxy-combustion is one of the most prominent solutions for reducing CO 2 emissions from coal-fired power plants using carbon-capture-and-utilization technology. However, when compared to air combustion at atmospheric pressure, oxy-combustion is very expensive, owing to the significant efficiency penalties associated with air separation, flue gas recirculation (FGR), treatment, compression, and storage or transit of CO 2 . In comparison, pressurized oxy-combustion (POC) is more efficient as it recovers a significant amount of heat energy from the flue gas moistures. Nevertheless, CO 2 derived from pressurized oxy coal combustion has impurities, e.g., acid gases (NO X and SO X ) that can corrode the plant equipment, transport lines as well as deteriorating effect on the environment. Fortunately, in pressurized combustion systems, both NO X and SO X can be scrubbed by a single-column direct contact cooler (DCC), but this requires a minimum ratio of NO X to SO X at the inlet to be efficiently removed. Therefore, NOx is one of the important hindering parameters in commercializing the pressurized oxy-combustion. Although NOx evolution during oxy-coal combustion has been explored extensively at 1 atm, higher pressure studies are rare. Much still needs to be done to better understand the NO X mechanism and the effects of different parameters on NO X emissions under these conditions. Here, this paper reviews the published literature on nitrogen evolution, NO X formation and reduction in pressurized oxy-coal combustion. At higher pressures, the NO X from fuel-bound nitrogen is generated through volatiles, tar and char, all of which are discussed. Where literature is not available, the effect of pressure on NOx evolution in different stages of coal combustion is predicted through CHEMKIN simulation. Homogeneous and heterogeneous pathways of NO X formation and their destruction in pressurized oxy-coal combustion are evaluated. Additionally, the effect of pressure on a few mature and commercialized NOx abatement methods is explored. In the last, the future perspective and recommendation are given. This review will aid in the provision of basic knowledge about NOx evolution and control in pressurized fuel combustion, as well as the identification of new research areas to pursue.

01 COAL, LIGNITE, AND PEAT↗

Co-optimization of fuel properties, combustion system geometry, and injection strategy for conventional diesel fuel

Here, studies have shown that fuel properties can impact an engine’s operation in several ways, including ignition delay, sooting tendency, mixture formation, and combustion temperature. In mixing-controlled compression ignition (MCCI) engines, the fuel system design and piston bowl geometry significantly affect combustion performance and emissions. Based on current information, it is difficult to draw conclusions about fuel property effects and sensitivities. The central fuel hypothesis approach used in the US Department of Energy Co-Optima program has worked well for spark ignition fuels: identifying critical fuel property ranges is sufficient to screen fuel blends that are expected to maximize efficiency and reduce pollutant emissions. However, for MCCI-relevant fuels, the information gained from past studies is not sufficient to build such a merit function or to allow for performing a similar screening of fuel blends. It is hypothesized that a co-optimization of a fuel’s physical and chemical properties, combustion system geometry, and injection strategy could leverage synergies between the effects of the fuel properties and geometries, resulting in improved performance over state-of-the-art. A machine learning–assisted unconstrained global optimization algorithm was used to explore a design space comprising 23 independent variables. The results show that physical property effects were minimal even for large variations in fuel properties, and the only interaction effect that was observed was the effect of varied fuel density parameters on fuel/air mixture formation. Nevertheless, these interactions were not sufficient in magnitude to significantly affect optimization results. Therefore, analysis of the results suggests that fuel physical properties cannot be leveraged in a co-optimization context to increase engine efficiency.

33 ADVANCED PROPULSION SYSTEMS↗

Advanced Engine and Fuel Technologies FY2020 Annual Progress Report

In support of the Vehicle Technology Office’s goal for future U.S. economic growth, the Advanced Engine and Fuel Technologies Program focuses early-stage research and development on improving the understanding of combustion processes, fuel properties, and emissions control technologies, generating knowledge and insight necessary for industry to develop the next generation of engines and fuels for the efficient, cost-effective, and secure transportation of people and goods across America.

33 ADVANCED PROPULSION SYSTEMS↗

Detailed chemistry modeling of rotating detonations with dilute n -heptane sprays and preheated air

Utilization of liquid fuels is crucial to enabling commercialization of rotating detonation engines (RDE) in the near future. In this study, Eulerian-Lagrangian simulations are conducted for rotating detonative combustion with dilute n-heptane sprays and preheated air. Two-dimensional flattened configuration is used and a skeletal chemical mechanism with 44 species and 112 elementary reactions for n-heptane combustion is adopted. The flow structure, droplet distribution, and thermochemical parameters in the refill zone are first analyzed. It is shown that the mixture in the refill zone is heterogeneous, including evaporating droplets, vapor, and air. When the total temperature is below 950 K, the average equivalence ratio increases with the total temperature. When it is higher than 950 K, the average equivalence ratio is almost constant. Subsequently, the chemical explosive mode analysis is applied to identify the controlling reactions and dominant combustion modes in the fuel refill zone and reaction fronts. Results demonstrate that the initiation reaction (R104: n-C 7 H 16 + O 2 2-C 7 H 15 + HO 2 ) and low-temperature reaction (R107: RO 2 R'O 2 H) are dominant in the upstream and downstream of the refill zone, respectively. The intermediate species from low-temperature chemistry, R'O 2 H, is found to be important for the chemical explosive mode in the undetonated mixture. The influence of species diffusion and dispersed droplets is further analyzed. Results show that vapor autoignition facilitated by droplet evaporation occurs in the refill zone. Finally, the effects of the air total temperature on the detonation propagation speed and RDE propulsion performance are investigated. Further, it is found that the detonation propagation speed and specific impulse increase with air total temperature. The total pressure ratio first increases and then decreases as the air total temperature increases. Moreover, when the total temperature of the preheated air is above 1,300 K, the effects of low-temperature chemistry are negligible.

33 ADVANCED PROPULSION SYSTEMS↗

Dynamic projection of anthropogenic emissions in China: methodology and 2015–2050 emission pathways under a range of socio-economic, climate policy, and pollution control scenarios

Abstract. Future trends in air pollution and greenhouse gas (GHG)emissions for China are of great concern to the community. A set of globalscenarios regarding future socio-economic and climate developments, combiningshared socio-economic pathways (SSPs) with climate forcing outcomes asdescribed by the Representative Concentration Pathways (RCPs), was createdby the Intergovernmental Panel on Climate Change (IPCC). Chinese researchers have also developed various emission scenarios by considering detailed local environmental and climate policies. However, a comprehensive scenario set connecting SSP–RCP scenarios with local policies and representing dynamic emission changes under local policies is still missing. In this work, to fill this gap, we developed a dynamic projection model, the Dynamic Projection model for Emissions in China (DPEC), to explore China'sfuture anthropogenic emission pathways. The DPEC is designed tointegrate the energy system model, emission inventory model, dynamicprojection model, and parameterized scheme of Chinese policies. The modelcontains two main modules, an energy-model-driven activity rate projectionmodule and a sector-based emission projection module. The activity rateprojection module provides the standardized and unified future energyscenarios after reorganizing and refining the outputs from the energy systemmodel. Here we use a new China-focused version of the Global ChangeAssessment Model (GCAM-China) to project future energy demand and supply inChina under different SSP–RCP scenarios at the provincial level. Theemission projection module links a bottom-up emission inventory model, theMulti-resolution Emission Inventory for China (MEIC), to GCAM-China andaccurately tracks the evolution of future combustion and production technologiesand control measures under different environmental policies. We developedtechnology-based turnover models for several key emitting sectors (e.g.coal-fired power plants, key industries, and on-road transportationsectors), which can simulate the dynamic changes in the unit/vehicle fleetturnover process by tracking the lifespan of each unit/vehicle on an annualbasis. With the integrated modelling framework, we connected five SSP scenarios(SSP1–5), five RCP scenarios (RCP8.5, 7.0, 6.0, 4.5, and 2.6), and threepollution control scenarios (business as usual, BAU; enhanced controlpolicy, ECP; and best health effect, BHE) to produce six combined emissionscenarios. With those scenarios, we presented a wide range of China's futureemissions to 2050 under different development and policy pathways. We foundthat, with a combination of strong low-carbon policy and air pollutioncontrol policy (i.e. SSP1-26-BHE scenario), emissions of major airpollutants (i.e. SO 2 , NO x , PM 2.5 , and non-methane volatile organic compounds – NMVOCs) in China willbe reduced by 34%–66% in 2030 and 58%–87% in 2050 compared to 2015. End-of-pipe control measures are more effective for reducing air pollutant emissions before 2030, while low-carbon policy will play a more important rolein continuous emission reduction until 2050. In contrast, China's emissionswill remain at a high level until 2050 under a reference scenario without activeactions (i.e. SSP3-70-BAU). Compared to similar scenarios set from theCMIP6 (Coupled Model Intercomparison Project Phase 6), our estimates ofemission ranges are much lower than the estimates from the harmonized CMIP6 emissions dataset in2020–2030, but their emission ranges become similar in the year 2050.

54 ENVIRONMENTAL SCIENCES↗

A Literature Review of NO x Emissions in Current and Future State-of-the-Art Gas Turbines

Current U.S. government policy seeks to achieve a completely carbon-free economy by 2050, with a carbon-free electricity sector by 2035 (per executive orders #14008 and #14057). To address these goals, the U.S. Department of Energy is evaluating strategies and technologies that support the production, utilization, transport, and storage of hydrogen (via initiatives such as Department of Energy's (DOE) Energy Earthshot—Hydrogen and various DOE funding opportunity announcements). A carbon-free fuel such as hydrogen cannot be overvalued in a dynamic electric energy sector seeking to decarbonize. One of the most important technologies needed to achieve the goal of a carbon-free electricity sector is a 100% hydrogen-fueled gas turbine. Accommodating hydrogen-based fuels has been a key goal for various original engine manufacturers (OEMs) for many years, but much more research and development (R&D) is needed. The purpose of this paper is to highlight the current state-of-the- art of hydrogen turbine technology, especially regarding nitrogen oxide (NO X ) emissions compared to natural gas-fueled turbines. NO X is the primary criteria pollutant from thermally driven combustion turbines and should be controlled to levels that are equivalent to or below existing standards (as reported “existing standards” for hydrogen-fueled gas turbines may need to be rebaselined). Further, this paper will provide an overview of hydrogen as a fuel and various NO X emissions control techniques that are relevant for hydrogen-based fuels. A conclusion from this overview is that, with some level of R&D, NO X emissions from hydrogen-fueled gas turbines can be controlled to levels similar to those produced by state-of-the-art (SOTA) natural gas-fueled combustion turbines while remaining competitive in terms of performance and efficiency.

42 ENGINEERING↗

Nuclear Safety [Vol. 34, No. 1, January-March 1993]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 An Integrated Regional Approach To Risk Management of Industrial Systems, S. Chakraborty and R. Stratton; 9 Annual Technical Meeting of the NRC Cooperative Severe Accident Research Program, E. G. Silver; ACCIDENT ANALYSIS: 13 Deterministic Severe Accident Criteria as Severe Accident Design Criteria and Policy for the New Production Reactor-Heavy Water Reactor, P. T. Rhoads; 20 Proposed Deterministic Severe Accident Criteria for the Heavy Water Reactor-New Production Reactor Containment, K. D. Bergeron, S. E. Slezak, and C. E. Leach; 33 Quasi-Static Core Liquid Level Depression and Long-Term Core Uncovery During a PWR LOCA, Y. Kukita, R. R. Schultz, H. Nakamura, and J. Katayama; 49 LIRA: An Advanced Containment System to Minimize the Accidental Radioactivity Releases, A. Turricchia; 63 Errata to “A Review of Hydrogen Production During Melt/Water Interaction in LWRs,” Vol. 33, No. 4; CONTROL AND INSTRUMENTATION: 64 The Nuplex 80+™ Advanced Control Complex from ABB Combustion Engineering, F. Ridolfo, D. Harmon, and K. Scarola; DESIGN FEATURES: 76 A Scheme for Passive Isolation of the Containment of a Reactor, A. K. Ghosh, V. V. Raj, and K. Kakodkar; 84 Utility Requirements for Safety in the Passive Advanced Light-Water Reactor, T. U. Marston, W. H. Layman, and G. Bockhold, Jr.; WASTE AND SPENT FUEL MANAGEMENT: 91 Activities Related to Waste and Spent Fuel Management, Compiled by M. D. Muhlheim and E. G. Silver; OPERATING EXPERIENCES: 103 Testing Deficiencies in Auxiliary Systems Feedwater Systems, J. D. Kueck; 110 Reactor Shutdown Experience, Compiled by J. W. Cletcher; 113 Selected Safety-Related Events, Compiled by G. A. Murphy; 115 Operating U.S. Power Reactors, Compiled by M. D. Muhlheim and E. G. Silver; RECENT DEVELOPMENTS: 133 General Administrative Activities, Compiled by M. D. Muhlheim and E. G. Silver; 145 Reports, Standards, and Safety Guides, D. S. Queener; 150 Proposed Rule Changes as of Sept. 30, 1992; ANNOUNCEMENTS: 75 Harvard Short Course on Risk: Science, Assessment, and Management; 102 International Conference on Reactor Physics and Reactor Computations; 102 The Fourth International Conference on Nuclear Waste Reprocessing and Waste Management [RECOD ’94]; 132 International Symposium on the Radiological Exposure of the Population of the European Community from Radioactivity in the Mediterranean Sea [MARINA-MED]; 162 International High-Level Radioactive Waste Conference ‘Technology Integration—Above and Below”; 154 The Authors; 158 Indexes to Nuclear Safety, Volume 33.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cost-constrained adaptive simulations of transient spray combustion in a gas turbine combustor

Predictive high-fidelity simulations of turbulent spray combustion must capture the combined effects of complex chemistry, multiphase evaporating flow and spray-flame interactions to achieve physical accuracy. Finite-rate chemistry (FRC) combined with a realistic chemical mechanism is a combustion model well-suited for this purpose, but has a high computational cost due to the large number and stiffness of transported chemical species. In contrast, flamelet-based models achieve lower cost by transporting a small number of quantities of reduced stiffness, but assumptions regarding local flame topology, boundary conditions and inter-phase coupling limit their physical accuracy. Recently, the Pareto-efficient combustion (PEC) framework was developed to dynamically assign combustion models based on local cost and accuracy metrics in gas-phase reacting flows. In this work, we extend this PEC framework to spray combustion through the rigorous analysis of the multiphase coupling terms in the governing equations. The derivation shows that spray evaporation causes errors in the prediction of species mass fractions for flamelet-based models due to the sensitivity of the local thermo-chemical state to changes in composition caused by fuel vaporization across combustion regimes present in practical spray combustion devices. Sub-model assignment is formulated as a multiple-choice knapsack problem, where computational cost is directly controlled through the fraction of the domain assigned to the FRC sub-model. The extended PEC formulation is applied to the simulation of a realistic rich-quench-lean gas turbine combustor at steady-state conditions, as well as transient operation resulting in lean blow-out (LBO). Analysis of transient simulations during LBO demonstrates the extended PEC formulation’s capacity to dynamically adapt to changing conditions within the combustor. Transient combustor dynamics are shown to approach convergence with limited increases in computational cost, while retaining substantial computational cost reduction compared to monolithic FRC simulations. Through PEC simulations with increasing fractions of the domain assigned to FRC, monolithic flamelet simulations are shown to over-predict flame stability during LBO. Finally, the extended PEC formulation is thus shown to overcome deficiencies of monolithic models by controlling modeling error for multiphase combustion modeling.

33 ADVANCED PROPULSION SYSTEMS↗