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At least 451 records · Page 25

Corrosion in Supercritical Carbon Dioxide: Materials, Environmental Purity, Surface Treatments, and Flow Issues (Project No. 10-872)

The supercritical CO 2 Brayton cycle is gaining importance for power conversion in the Generation IV fast reactor system because of its high conversion efficiencies. When used in conjunction with a sodium fast reactor, the supercritical CO 2 cycle offers additional safety advantages by eliminating potential sodium-water interactions that may occur in a steam cycle. In power conversion systems for Generation IV fast reactors, supercritical CO 2 temperatures could be in the range of 30°C to 650°C, depending on the specific component in the system. Materials corrosion primarily at high temperatures will be an important issue. Therefore, the corrosion performance limits for materials at various temperatures must be established. The proposed research will have four objectives centered on addressing corrosion issues in a high-temperature supercritical CO 2 environment: Task 1: Evaluation of corrosion performance of candidate alloys in high-purity supercritical CO 2 : The following alloys will be tested: Ferritic-martensitic Steels NF616 and HCM12A, austenitic alloys Incoloy 800H and 347 stainless steel, and two advanced concept alloys, AFA (alumina forming austenitic) steel and MA754. Supercritical CO 2 testing will be performed at 450°C, 550°C, and 650°C at a pressure of 20 MPa, in a test facility that is already in place at the proposing university. High purity CO 2 (99.9998%) will be used for these tests. Task 2: Investigation of the effects of CO, H 2 O, and O 2 impurities in supercritical CO 2 on corrosion: Impurities that will inevitably present in the CO 2 will play a critical role in dictating the extent of corrosion and corrosion mechanisms. These effects must be understood to identify the level of CO 2 chemistry control needed to maintain sufficient levels of purity to manage corrosion. The individual effects of important impurities CO, H 2 O, and O 2 will be investigated by adding them separately to high purity CO 2 . Task 3: Evaluation of surface treatments on the corrosion performance of alloys in supercritical CO 2 : Surface treatments can be very beneficial in improving corrosion resistance. Shot peening and yttrium and aluminum surface treatments will be investigated. Shot peening refines the surface grain sizes and promotes protective Cr-oxide layer formation. Both yttrium and aluminum form highly stable oxide layers (Y 2 O 3 and Al 2 O 3 ), which can get incorporated in the growing Fe-oxide layer to form an impervious complex oxide to enhance corrosion resistance. Task 4: Study of flow-assisted corrosion of select alloys in supercritical CO 2 under a selected set of test conditions: To study the effects of flow-assisted corrosion, tests will be conducted in a supercritical CO 2 flow loop. An existing facility used for supercritical water flow studies at the proposing university will be modified for use in this task. The system is capable of flow velocities up to 10 m/s and can operate at temperatures and pressures of up to 650°C and 20 MPa, respectively. All above tasks will be performed in conjunction with detailed materials characterization and analysis using scanning electron microscopy/energy dispersive spectroscopy (SEM-EDS), x-ray diffraction (XRD), Auger electron spectroscopy (AES) techniques, and weight change measurements. Inlet and outlet gas compositions will be monitored using gas chromatography-mass spectrometry (GCMS).

36 MATERIALS SCIENCE↗

Final Report for SERDP Project RC-1649: Advanced Chemical Measurements of Smoke from DoD-prescribed Burns

Objectives: Project RC-1649, “Advanced Chemical Measurement of Smoke from DoD-prescribed Burns” was undertaken to use advanced instrumental techniques to study in detail the particulate and vapor-phase chemical composition of the smoke that results from prescribed fires used as a land management tool on DoD bases, particularly bases in the southeastern U.S. The statement of need (SON) called for “(1) improving characterization of fuel consumption” and “(2) improving characterization of air emissions under both flaming and smoldering conditions with respect to volatile organic compounds, heavy metals, and reactive gases.” The measurements and fuels were from several bases throughout the southeast (Camp Lejeune, Ft. Benning, and Ft. Jackson) and were carried out in collaboration and conjunction with projects 1647 (models) and 1648 (particulates, SW bases). Technical Approach: We used an approach that featured developing techniques for measuring biomass burning emission species in both the laboratory and field and developing infrared (IR) spectroscopy in particular. Using IR spectroscopy and other methods, we developed emission factors (EF, g of effluent per kg of fuel burned) for dozens of chemical species for several common southeastern fuel types. The major measurement campaigns were laboratory studies at the Missoula Fire Sciences Laboratory (FSL) as well as field campaigns at Camp Lejeune, NC, Ft. Jackson, SC, and in conjunction with 1648 at Vandenberg AFB, and Ft. Huachuca. Comparisons and fusions of laboratory and field data were also carried out, using laboratory fuels from the same bases. Results: The project enabled new technologies and furthered basic science, mostly in the area of infrared spectroscopy, a broadband method well suited to biomass burn studies. Advances in hardware, software and supporting reference data realized a nearly 20x improvement in sensitivity and now provide quantitative IR spectra for potential detection of ~60 new species and actual field quantification of several new species such as nitrous acid, glycolaldehyde, α-/β-pinene and D-limonene. The new reference data also permit calculation of the global warming potential (GWP) of the greenhouse gases by enabling 1) detection of their ambient concentrations, and 2) quantifying their ability to absorb IR radiation.

47 OTHER INSTRUMENTATION↗

Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in Complex Interfacial Systems. Final Technical Report

This research program explored the efficacy of using molecular-level manipulation, imaging and scanning tunneling spectroscopy in conjunction with supersonic molecular beam gas-surface scattering to significantly enhance our understanding of chemical processes occurring on well-characterized interfaces. One program focus was on the spatially-resolved emergent behavior of complex reaction systems as a function of the local geometry and density of adsorbate-substrate systems under reaction conditions. Another focus was on elucidating the emergent electronic and related reactivity characteristics of intentionally constructed single and multicomponent atom- and nanoparticle-based materials. We also examined emergent chirality and self-organization in adsorbed molecular systems where collective interactions between adsorbates and the supporting interface lead to spatial symmetry breaking. In many of these studies we combined the advantages of scanning tunneling (STM) and atomic force (AFM) imaging, scanning tunneling local electronic spectroscopy (STS), and reactive supersonic molecular beams to elucidate precise details of interfacial reactivity that had not been observed by more traditional surface science methods. Using these methods, it was possible to examine, for example, the differential reactivity of molecules adsorbed at different bonding sites in conjunction with how reactivity is modified by the local configuration of nearby adsorbates. At the core of this effort was the goal of significantly extending our understanding of interfacial atomic-scale interactions to create, with intent, molecular assemblies and materials with advanced chemical and physical properties. This ambitious program addressed several key topics in DOE Grand Challenge Science, including emergent chemical and physical properties in condensed phase systems, novel uses of chemical imaging, and the development of advanced reactivity concepts in combustion and catalysis including carbon management. These activities directly benefitted national science objectives in the areas of chemical energy production and advanced materials development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Technical Report on the Status of Nonlinear Ultrasonic Techniques for Non-Destructive Inspection

This report summarizes technical work conducted by LANL staff and international collaborators in support of the UFD Storage Experimentation effort. The overall focus of this technical work is two-fold: a) on the detection and imaging of a failure mechanism known as stress corrosion cracking (SCC) in stainless steel, and b) on evaluating concrete degradation using nonlinear ultrasonic techniques. This year we report here on three research efforts: 1) experimental effort utilizing TREND and SPACE inspection techniques for crack detection in stainless steel; 2) numerical modeling of 3D time reversal focusing to quantify TREND inspection regions; and 3) application of nonlinear ultrasonic techniques for quantifying concrete degradation. The first and third were collaborative efforts. The first was performed in conjunction with the Tohoku University (Sendai, Japan) and CNRS Parametric Imaging Laboratory (Laboratoire d’Imagerie Parametrique, in Paris, France), with support from the Electricity of France (Électricité de France, [EDF], in Paris, France) project. The third research effort was performed in conjunction with the Federal Institute for Material Research and Testing (Bundesanstalt für Materialforschung und –prüfung, in Berlin, Germany) and The Pennsylvania State University (State College, PA). The conclusion to be made from these results is that nonlinear ultrasound is applicable as a spot inspection technique in both stainless steel and concrete, with the potential to be more broadly applied to other materials and environments. The nonlinear signature measured is related to the degree of damage/degradation. The localized nature of the measurement allows for identification of mechanical defects and localization of degraded regions. Further work is necessary to characterize the degradation (e.g., sensitivity, size of flaws, type of damage, residual strength, etc.). Additionally, for the SCC work to continue to progress, relevant samples must be acquired for study.

36 MATERIALS SCIENCE↗

Case Study of The ARRA-Funded GSHP Demonstration at the Natural Sources Building, Montana Tech

Under the American Recovery and Reinvestment Act (ARRA), 26 ground source heat pump (GSHP) projects were competitively selected in 2009 to demonstrate the benefits of GSHP systems and innovative technologies for cost reduction and/or performance improvement. One of the selected demonstration projects was proposed by Montana Tech of the University of Montana for a 56,000 sq ft, newly constructed, on-campus research facility – the Natural Resources Building (NRB) located in Butte, Montana. This demonstrated GSHP system consists of a 50 ton water-to-water heat pump and a closed-loop ground heat exchanger with two redundant 7.5 hp constant-speed pumps to use water in the nearby flooded mines as a heat source or heat sink. It works in conjunction with the originally installed steam HX and an air-cooled chiller to provide space heating and cooling. It is coupled with the existing hot water and chilled water piping in the building and operates in the heating or cooling mode based on the outdoor air temperature. The ground loop pumps operate in conjunction with the existing pumps in the building hot and chilled water loops for the operation of the heat pump unit. The goal of this demonstration project is to validate the technical and economic feasibility of the demonstrated commercial-scale GSHP system in the region, and illustrate the feasibility of using mine waters as the heat sink and source for GSHP systems. Should the demonstration prove satisfactory and feasible, it will encourage similar GSHP applications using mine water, thus help save energy and reduce carbon emissions. The actual performance of the system is analyzed with available measured data for January through July 2014. The annual energy performance is predicted and compared with a baseline scenario, with the heating and cooling provided by the originally designed systems. The comparison is made in terms of energy savings, operating cost savings, cost-effectiveness, and environmental benefits. Finally, limitations in conducting the analysis are identified and recommendations for improvement in the control and operation of such systems are made.

15 GEOTHERMAL ENERGY↗

Total Dissolved Gas Prediction and Optimization in RIVERWARE

Management and operation of dams within the Columbia River Basin (CRB) provides the region with irrigation, hydropower production, flood control, navigation, and fish passage. These various system-wide demands can require unique dam operations that may result in both voluntary and involuntary spill, thereby increasing tailrace levels of total dissolved gas (TDG) which can be fatal to fish. Appropriately managing TDG levels within the context of the systematic demands requires a predictive framework robust enough to capture the operationally related effects on TDG levels. Development of the TDG predictive methodology herein attempts to capture the different modes of hydro operation, thereby making it a viable tool to be used in conjunction with a real-time scheduling model such as RiverWare. The end result of the effort will allow hydro operators to minimize system-wide TDG while meeting hydropower operational targets and constraints. The physical parameters such as spill and hydropower flow proportions, accompanied by the characteristics of the dam such as plant head levels and tailrace depths, are used to develop the empirically-based prediction model. In the broader study, two different models are developed a simplified and comprehensive model. The latter model incorporates more specific bubble physics parameters for the prediction of tailrace TDG levels. The former model is presented herein and utilizes an empirically based approach to predict downstream TDG levels based on local saturation depth, spillway and powerhouse flow proportions, and entrainment effects. Representative data collected from each of the hydro projects is used to calibrate and validate model performance and the accuracy of predicted TDG uptake. ORNL, in conjunction with IIHR - Hydroscience & Engineering, The University of Iowa, carried out model adjustments to adequately capture TDG levels with respect to each plant while maintaining a generalized model configuration. Validation results indicate excellent model performance with coefficient of determination values exceeding 92% for all sites. This approach enables model extension to an increasingly wider array of hydropower plants, i.e., with the proper data input, TDG uptake can be calculated independent of actual physical component design. The TDG model is used as a module in the systematic optimization framework of RiverWare, a river and reservoir modeling tool used by federal agencies, public utility districts, and other dam owners and operators to forecast, schedule, and manage hydropower assets. The integration and testing of the TDG module within RiverWare, led by University of Colorado's Center for Advanced Decision Support for Water and Environmental Systems (CADSWES), will allow users to generate optimum system schedules based on the minimization of TDG. Optimization analysis and added value will be quantified as system wide reductions in TDG achieved while meeting existing hydropower constraints. Future work includes the development of a method to predict downstream reservoir forebay TDG levels as a function of upstream reservoir tailrace TDG values based on river hydrodynamics, hydro operations, and reservoir characteristics. Once implemented, a holistic model that predicts both TDG uptake and transport will give hydropower operators valuable insight into how system-wide environmental effects can be mitigated while simultaneously balancing stakeholder interests.

13 HYDRO ENERGY↗

Green Ocean Amazon 2014/15 Terrestrial Ecosystem Project (Geco). Field Campaign Report

In conjunction with the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) Climate Research Facility GoAmazon campaign, the Terrestrial Ecosystem Science (TES)-funded Green Ocean Amazon (GoAmazon 2014/15) terrestrial ecosystem project (Geco) was designed to: evaluate the strengths and weaknesses of leaf-level algorithms for biogenic volatile organic compounds (BVOCs) emissions in Amazon forests near Manaus, Brazil, and conduct mechanistic field studies to characterize biochemical and physiological processes governing leaf- and landscape-scale tropical forest BVOC emissions, and the influence of environmental drivers that are expected to change with a warming climate.

54 ENVIRONMENTAL SCIENCES↗

Pt-based Bi-metallic Monolith Catalysts for Partial Upgrading of Microalgae Oil

Valicor’s proprietary wet extraction process in conjunction with thermochemical pre-treatment was performed on algal biomass from two different algae strains, Nannochloropsis Salina (N.S.) and Chlorella to produce algae oils. Polar lipids such as phospholipids were hydrolyzed, and metals and metalloids, known catalyst poisons, were separated into the aqueous phase, creating an attractive “pre-refined” oil for hydrodeoxygenation (HDO) upgrading by Stevens. Oil content and oil extraction efficiency of approximately 30 and 90% respectively were achieved. At Stevens, we formulated a Pt-based bi-metallic catalyst which was demonstrated to be effective in the hydro-treating of the algae oils to produce ‘green’ diesel. The bi-metallic catalyst was wash-coated on a monolith, and in conjunction with a high throughput high pressure (pilot plant) reactor system, was used in hydrotreating algae oils from N.S. and Chlorella. Mixtures of these algae oils and refinery light atmospheric gas oil (LAGO) supplied by our petroleum refiner partner, Marathon Petroleum Corporation, were co-processed in the pilot plant reactor system using the Pt-based bi-metallic monolith catalyst. A 26 wt% N.S. algae oil/74 wt % LAGO mixture hydrotreated in the reactor system was subjected to the ASTM D975 Diesel Fuel Specification Test and it met all the important requirements, including a cetane index of 50.5. An elemental oxygen analysis performed by an independent and reputable lab reported an oxygen content of trace to none found. The successful co-processing of a mixture of algae oil and LAGO will enable integration of algae oil as a refinery feedstock which is one of the goals of DOE-BETO. We have presented experimental data that show that our precious metal-based catalysts consume less hydrogen than the conventional hydrotreating catalyst NiMo Precious metal catalysts favor the hydrodecarbonylation/hydrodecarboxylation route of HDO over the dehydration route preferred by base metal catalysts, and consumes less hydrogen, if methanation can be mitigated. Our methanation data on Pt and Rh indicate effective suppression of methanation. Our data also show that our catalysts are less susceptible to coking; and unlike NiMo and CoMo, precious metal catalysts are not deactivated by water, a by-product of HDO of algae oil. Finally, our catalysts do not need to be sulfided to be active. A rigorous techno-economic analysis of our process for commercial scale production of 10,000 barrels per day of hydrotreated algae oil, with nutraceuticals co-product claiming only 0.05% of the raw algae oil, indicates an estimated plant gate price of ~$10/gal. Sensitivity analysis shows that critical parameters affecting sale price include (1) algae doubling time (2) biomass oil content (3) CAPEX, and (4) moisture content of post extracted algae residue. Modest improvements in these areas will result in enhanced and competitive economics. Based on a life cycle assessment for greenhouse gas emission, we found that if algae oil replaced 10% of the US consumption, this would result in a CO2e reduction of 210,000 tons per day. Improving the drying process for animal feed by 50% would result in further significant reduction in CO2e.

09 BIOMASS FUELS↗

Computed Tomography Scanning to Understand Micro-to-Macro Controls on Multiphase Flow during Geologic Carbon Storage; NETL-TRS-3-2017; NETL Technical Report Series; U.S. Department of Energy, National Energy Technology Laboratory: Morgantown, WV, 2017; p 24.

Evaluation of the fate and transport of carbon dioxide (CO 2 ) in deep reservoirs is crucial to the development of long-term geologic carbon sequestration (GCS) technologies. In this report, various studies using computed tomography (CT) scanning are utilized in conjunction with traditional flow tests to observe the multi-scale phenomena associated with CO 2 injection in geologic media. Pore scale analyses were performed to determine the infiltration characteristics of CO 2 into a brine saturated reservoir rock. Multiphase floods were performed to evaluate the saturation of CO 2 into a brine-saturated reservoir rock and determine how structural changes within the lithology affect such interactions. Additionally, CO 2 induced swelling of unconventional reservoir rock was evaluated with respect to reductions in fracture transmissivity due to matrix swelling. These studies are just a few examples of the benefits of multi-scale CT imaging in conjunction with traditional laboratory methodology to gain a better understanding of the interactions between CO 2 and the lithologies it interacts with during GCS.

58 GEOSCIENCES↗

Ocular Pathogens, Eye Infections, and Cosmetics Periodic Update (July 1, 2016 to June 30, 2017)

A PubMed literature search was conducted to support analyses and investigations of the relationship between microorganisms associated with human eye infections (including opportunistic pathogens) and cosmetics. Key terms for PubMed literature searches included; microbial genera and species of interest (bacteria, viruses, fungi, protozoans, parasites), opportunistic pathogens, human eye disease and infection, human ocular infections, specific eye diseases (keratitis, conjunctivitis, etc.), eye accidents, eye surgery, contacts, infants, pregnant women, geriatric, immunocompromised, HIV and polymicrobial. The number of journal articles for defined searches was summarized and journal citations and abstracts were cataloged and incorporated into a searchable information system (MS Access). A periodic update to the literature searches was conducted in July 2017 and observations from the update indicate the most commonly associated bacteria with eye infections/diseases were Staphylococcus sp., Chlamydia sp. and Pseudomonas sp. Also, the literature searches indicate the most commonly associated fungi with eye infections/diseases were Fusarium sp., Aspergillus sp. and Candida sp. A relative rank of occurrence of microorganisms associated with eye infections/disease in the literature citations was; Staphylococcus aureus, Chlamydia trachomatis, Cytomegalovirus, Herpes zoster virus, Pseudomonas aeruginosa, Staphylococcus epidermidis, Acanthamoeba sp., Fusarium sp., E. coli and Mycobacterium tuberculosis. Literature searches for opportunistic microorganisms and emerging pathogens for this update identified several articles on fungi, Bacillus sp. (primarily B. cereus), Haemophilus influenzae and Human Papillomavirus (HPV) associated with eye infections/diseases. Although the literature searches focused on microorganisms, key eye diseases noted in the citations were keratitis, conjunctivitis, corneal ulcers, endophthalmitis and keratoconjunctivitis.

60 APPLIED LIFE SCIENCES↗

Development of X-Ray FEL Oscillators with Higher Out-Coupling Efficiency

This program focused on the development of high-outcoupling efficiency resonators for x-ray free-electron laser oscillators (XFELOs). The goal was to produce a viable design for an XFELO that can be implemented on the LCLS-II which is the x-ray FEL facility under construction at the Stanford Linear Accelerator Center (SLAC). The program designed at regenerative amplifier (RAFEL) design that employs a high-gain undulator with a low-Q resonator with the goal of producing a scientific design for the RAFEL as well as a software suite that can be used to design XFELOs. The Phase I program considered a resonator consisting of six diamond Bragg reflectors/mirrors with two focusing lenses. This resonator was used in conjunction with the electron beam produced by the LCLS-II and the HXR undulator to design a RAFEL producing 3.05 keV photons in the fundamental resonance and 9.15 keV photons in the 3rd harmonic. The research program included the extension of the Optics Propagation Code (OPC) to describe Bragg reflection from diamond crystal mirrors and went on to use OPC, in conjunction with the MINERVA simulation code to treat the undulator interaction, to simulate the RAFEL. Simulations were conducted in both the steady-state and time-dependent regimes to determine the basic performance characteristics of the RAFEL.

43 PARTICLE ACCELERATORS↗

Collaboration with NSTX in Calculations of Radiofrequency and Neutral Beam Heating and Current Drive

The overall objective of this project was to advance the understanding of heating and current drive necessary for toroidal magnetic confinement fusion energy reactors, and to provide accurate models for these sources to aid in understanding magneto-hydrodynamic, transport and boundary physics issues. Increased understanding is provided by computer simulation using the underlying physics laws, and will lead to greater reliability and increased efficiency of a power producing fusion reactor. The proposed work entailed applications of existing CompX Fokker-Planck, ray tracing, full-wave microwave, and particle diffusion calculator codes to the National Spherical Torus Experiment at Princeton Plasma Physics Laboratory. Special features of NSTX include that large ion orbits are emphasized in its geometry and thus offer a major opportunity within fusion research for focused exploration of their ubiquitous effects, including comparison with simulation codes. The CompX CQL3D Fokker-Planck code was be further adapted to the finite-orbit-width physics. Comparison with experiment ensured that the computer codes have sufficient accuracy to accurately model the experiments. Nonthermal distributions of energetic ions are produced in experiments-- and modeled with the codes-- exhibiting the signatures of auxiliary heating, transport, and radiation processes within the plasma. Using physics-based modeling, in conjunction with experimental data, nonthermal distributions can provide keys to validation and quantification of auxiliary heating physics. Nonthermal distributions also hold particular information on radial transport processes, not obscured by the smoothing Maxwellization effects of Coulomb collisions. Generally, radial transport is not well understood but is a key to efficient fusion energy production. By comparison with Fokker-Planck modeling, the velocity dependence of radial transport coefficients becomes experimentally accessible, particularly in cases of well-modeled sources such as neutral beams, fast wave power, or the toroidal electric field. It is clear from modeling of fast-wave interactions with ions that finite-orbit-width effects play a significant role. For example, a different set of ions is computed to intersect a given cyclotron resonance depending on whether or not radial orbit drifts are taken into account. Also, radial transport, associated bootstrap current, and alpha channeling depend on radial drifts. Ion cyclotron heating above the first harmonic interacts preferentially with higher velocity ions, giving large radial drifts. The CQL3D Fokker-Planck code, maintained by the proposers, is a physics based model used extensively within the US fusion community to compare with and interpret experimental observations. At the beginning of this grant, bounce-averages of the rf quasilinear and other operators have been performed neglecting the radial drifts which give finite orbit widths to the particle orbits. The proposed work included a major upgrade to CQL3D to include finite-orbit-width effects be accounted for by performing the bounce-averages of rf and neutral beam fast ions along guiding center orbits. This CQL3D enhancement provided microwave and neutral beam contributions to neoclassical radial transport coefficients for nonthermal distributions, and substantially increased the comprehensiveness of the ion model. Additional work validated Fokker-Planck and ray tracing modeling of neutral beam and high harmonic fast wave absorption and current drive against the NSTX experiment, as had been very successful for electron cyclotron current drive in the DIII-D tokamak at General Atomics and lower hybrid waves on C-Mod at MIT. The validation work was in conjunction with staff and graduate students at Princeton Plasma Physics Laboratory. This DOE grant supported fusion energy research, a potential long-term solution to the world's energy needs. The research grant under consideration, DE-SC0006614, provided research support at the 0.3 Full-Time-Equivalent level for application of computer models to aid in understanding and projecting efficacy of heating and current drive sources in the National Spherical Torus Experiment, a tokamak variant, at the Princeton Plasma Physics Laboratory. The NSTX experiment explores the physics of very tight aspect ratio, almost spherical tokamaks, aiming at producing steady-state fusion plasmas. The current drive is an integral part of the steady-state concept, maintaining the magnetic geometry in the steady-state tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Advanced Multi-Tube Mixer Combustion for 65% Efficiency (Final Report)

This project targeted advanced low NOx combustion for advanced gas turbines capable of 65%, or greater, efficiency in combined cycle application. This technology advancement has further potential to benefit gas turbines used in coal based IGCC applications with pre-combustion carbon capture and hydrogen as the resulting fuel. The program developed and synthesized the most advanced combustion system capable of achieving low NOX emissions up to turbine inlet temperatures of 3100F while also supporting the load-following needs of a modern grid. The combustion system contributes to the overall gas turbine efficiency goal by setting the maximum cycle temperature achievable for a given NOX level and by minimizing the through-combustor air flow pressure drop. Focus areas for this project targeted maximizing the turbine inlet temperature entitlement, as constrained by emissions considerations. The design also minimized parasitic air flow pressure drop by using advanced cooling techniques and performance materials selections and by minimizing hot surface area. These two technology objectives (maximum, emissions-compliant cycle temperature and minimum air flow pressure drop) were integrated into a prototype design. The primarily analytical project sought to identify the most promising technologies to meet these objectives. Additional critical “jugular” data were obtained from multi-tube mixer tests to realize the potential of leveraging “micro flames” for minimizing overall hot surface area. This data was used, in conjunction with an understanding of advanced material and cooling design technologies, to analytically develop multiple design concepts. Phase I focused on in-depth engineering analysis and design, with minimal supporting laboratory testing to enable a selection of the top three combustion architectures for achieving these overall objectives. Phase II of the program developed the selected design through a combination of sub-scale testing and analytical efforts. Early tests included a cold-flow cascade to establish aerodynamic performance characteristics and a sub-scale fired test at GE Global Research in Niskayuna, NY, to establish cooling and heat transfer characteristics in conjunction with combustion performance. The data from these tests validated the analytical models to ultimately design a full-scale, test article to evaluate at prototypical pressure and temperature conditions at GE Gas Power’s Gas Turbine Technology Laboratory in Greenville, SC. GE Gas Power also developed, tested, and recommended a suitable seal design to be applied to the unique features of the combustor. To assess the technology challenges from prospective future production of the combustor from a ceramic matrix composite material, screening tests of Environmental Barrier Coatings were completed.

20 FOSSIL-FUELED POWER PLANTS↗

I.1 Heavy-Duty Diesel Combustion (Sandia National Laboratories)

Regulatory drivers and market demands for lower pollutant emissions, lower carbon dioxide emissions, and lower fuel consumption motivate the development of cleaner and more fuel-efficient engine operating strategies. Most current production heavy-duty diesel engines use a combination of both in-cylinder and exhaust emissions-control strategies to achieve these goals. The emissions and efficiency performance of in-cylinder strategies depend strongly on flow and mixing processes that can be influenced by using multiple fuel injections. Past work performed under this project showed that adding a second injection can reduce soot to levels below what would have been produced by an unchanged first injection, thereby increasing load while decreasing soot and potentially reducing brake specific fuel consumption. Information characterizing the important in-cylinder processes with multiple injections has been gleaned from ensemble-averaged planar laser-induced incandescence (PLII) imaging visualizing the soot cloud and planar induced fluorescence (PLIF) of OH characterizing the soot oxidation regions. PLII showed a consistent disruption of the first injection soot cloud by the second injection. In conjunction with OH-PLIF, differences in soot oxidation patterns for multiple injections compared to single injections were observed. This understanding was further enhanced in FY20, when high-speed imaging resolving the above-mentioned effects in a single cycle were combined with direct numerical simulations investigating the multiple-injection ignition process on the microscopic level of turbulence and chemistry interaction. In FY21, these findings in conjunction with findings from other researchers published in the scientific literature were composed into a preliminary multiple-injection conceptual model of fuel-mixing, injection and ignition processes. Remaining key research questions were also highlighted. In addition, wall heat flux was investigated experimentally and with numerical simulations to understand the potential of multiple injections to reduce the engine heat losses and further enhance the efficiency.

33 ADVANCED PROPULSION SYSTEMS↗

Anomaly Detection in Gamma Spectra Using Hopfield Neural Network with B-SAT and Grover’s Algorithm on a Quantum Computing Simulator

Environmental screening of gamma radiation consists of detecting weak nuisance and anomaly signal in the presence of strong and highly varying background. In a typical scenario, a mobile detector-spectrometer continuously measures gamma radiation spectra in short, e.g., one-second, signal acquisition intervals. In principle, gamma radiation sources can be detected and identified by their unique spectral lines. However, detecting sources from data measured in a search scenario is difficult due to the highly varying background because of naturally occurring radioactive material (NORM), and low signal-to-noise ratio (S/N) of spectral signal measured during one-second acquisition intervals. In recent prior work, we have developed a Hopfield Neural Network (HNN) in conjunction with an image processing algorithm to detect a weak signal anomaly hidden among the highly fluctuating background spectra. The objective of this work is to explore quantum computing methods to increase the speed of HNN. The approach is based on the Grover’s search algorithm in conjunction with a 3-SAT problem formalism. The Grover’s algorithm is implemented on a quantum computing simulator using Qiskit software. Performance of HNN algorithm is benchmarked using search data from an environmental screening campaign, where the anomaly is a subset of measurements containing a 137 Cs source. Results indicate that using Grover’s algorithm on a quantum simulator reduces runtime of HNN by two orders of magnitude.

61 RADIATION PROTECTION AND DOSIMETRY↗

Student Travel Support for the Inaugural Gordon Research Seminar on Multiphoton Processes (Final Technical Report)

This project provided financial support for early-career participants of the 2022 Gordon Research Seminar (GRS) on Multiphoton Processes, which was held on June 11 & 12, 2022 in Smithfield, Rhode Island, in conjunction with the Gordon Research Conference (GRC) on the same topic, held on June 12-17, 2022 in the same location. The GRC on Multiphoton Processes is an established conference series in the field of Atomic, Molecular and Optical (AMO) Physics with intense lasers. It regularly attracts around one hundred fifty researchers from around the world to present and discuss their forefront research featuring light-matter interaction in a variety of systems, ranging from atoms and molecules to nanosystems. In order to increase the attendance of early-career researchers at the GRC, in particular graduate students, post-docs, and other scientists with comparable levels of experience and education, the general assembly of the GRC on Multiphoton Processes decided during their last session in 2018 to organize a Gordon Research Seminar in conjunction with the next conference and organized and attended by early-career researchers. The GRS's primary intent is to provide a forum to graduate students and post-docs working in the field of intense and ultrafast AMO physics to present and exchange new data and cutting-edge ideas and to network with their peers at other research institutions around the U.S. and the world.

74 ATOMIC AND MOLECULAR PHYSICS↗

Extreme Longitudinal Compression of Optimized Beams for MEV Ultrafast Electron Diffraction (Final Technical Report)

We worked out the design of a high repetition rate MeV energy ultrafast electron diffraction instrument based on the existing Cornell photoinjector, which can readily be applied to the presented findings. This example is a blueprint of other similarly arranged UED setups. Using particle tracking simulations in conjunction with multiobjective genetic algorithm optimization, we explored the smallest bunch lengths, emittance, and probe spot sizes achievable. As two limits, we defined stroboscopic conditions (with single electrons per pulse) and operation with 10 5 electrons per bunch which may be suitable for single-shot diffraction images. In the stroboscopic case, the flexibility provided by the many cavity bunching and acceleration allows for longitudinal phase space linearization without a higher harmonic field, providing sub-fs bunch lengths at the sample. Given low emittance photoemission conditions, these small bunch lengths can be maintained with probe transverse sizes at the single micron (1 μm) scale and below. In the case of 10 5 electrons per pulse, we simulated state-of-the-art 5D brightness conditions: rms bunch lengths of 10 fs with 3-nm normalized emittances, while permitting repetition rates as high as 1.3 GHz. We showed that in conjunction with collimating apertures, a novel focusing scheme achieves very high-quality emittance compensation for the central core of the beam composing 40% of particles, for a resulting beam size of 5 μm (rms). Finally, to aid in the design of new SRF-based ultrafast electron diffraction machines, we simulated the trade-off between the number of cavities used and achievable bunch length and emittance. In the longitudinal dimension, we made use of the fact that MeV UED requires much lower energy than the 15-MeV maxi mum energy of Cornell’s CBETA injector, and we may therefore use several of the SRF cavities for bunch length compression. In practice, we used a genetic optimization algorithm to choose the phases and amplitudes of the cavities appropriately for optimal bunching. In the zero space charge case, we found that bunching and acceleration are distributed across the six cavities in a way that produces a linearizing effect. And we showed that the ultimate bunch length can be limited by time-of-flight differences arising from transverse size and transverse momentum spread. The space charge code developed and used for this development is now permanent part of the Bmad accelerator simulation code and has already contributed to other developments, e.g., for the EIC electron cooler design.

43 PARTICLE ACCELERATORS↗

Thermostatic Radiator Valve Evaluation and Demonstration

A large stock of multifamily buildings in the Northeast and Midwest uses hot water or steam for space heating. Typically, residents do not pay for heat directly (i.e., heating fuel serves a central plant and use is not submetered). Losses from these systems are typically high, and a significant number of apartments are overheated much of the time. This is often evidenced by open windows on winter days. Controls and distribution are often faulty, and improving them can be more cost effective than replacing boilers. Thermostatic radiator valves (TRVs), which have been in use for many decades, are one potential strategy to combat this problem. They are commonly used in Europe and in other markets such as commercial buildings, but have not been widely accepted by the residential retrofit market in the northeastern United States. Anecdotal evidence suggests that heating systems engineers and contractors have a variety of opinions about their effectiveness, illustrating a lack of consensus on this potentially important energy efficiency measure. A review of the limited available literature revealed that, in one study, heating fuel savings as high as 15% was achieved through TRV retrofits. In this project, the U.S. Department of Energy Building America team, Advanced Residential Integrated Energy Solutions, sought to better understand the current usage of TRVs by key market players in steam and hot water heating and to conduct limited experiments on the effectiveness of new and old TRVs as a means of controlling space temperatures and reducing heating fuel consumption. The project included a survey of industry professionals, a field experiment comparing old and new TRVs, and cost-benefit modeling analysis using BEopt (Building Energy Optimization software). Radiator and apartment space temperature data were collected and analyzed for two similar apartment units in a building that underwent a one-pipe steam TRV retrofit. Space temperature comparisons were made across the pre- and post-TRV installation heating periods and between rooms equipped with old or new TRVs in an attempt to show the comparative effectiveness of each vintage of TRV. Analyses of the heating fuel utility bills before and after the building-wide TRV installation were conducted to quantify potential savings. The results of the field experiment and utility bill analysis did not show energy savings at either the unit or the building-wide level. The results provided inconclusive answers to the original study questions but provided valuable insight into common steam system imbalance and resident behavior issues that are critical to address in conjunction with TRV retrofits. Specific issues identified included steam distribution imbalance, possible TRV sensor location issues, a persistent window-opening habit, and a failure to optimize the boiler control set points as part of the TRV retrofit. The lack of heating fuel savings underscored the need to include whole steam system commissioning alongside or as a prerequisite to TRVs. Failed air vents and uneven steam main venting are critical to address either in conjunction with or before a TRV installation. Monitoring existing space temperatures before a retrofit strategy is chosen would allow the consultant and building owner to better assess the potential benefits of a whole-building TRV retrofit, selective installation of TRVs in some units, or simply balancing the steam distribution venting. Further gaps in the understanding of underlying processes that allow TRVs to function effectively were also identified and are presented as opportunities for future research.

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