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Modifications to Solar Titan-130 Combustion Systems for Efficient, High Turndown Operation

The project team of Southwest Research Institute® (SwRI®), Solar Turbines Incorporated (Solar), the Electric Power Research Institute (EPRI), the University of California, Irvine (UCI), and the Georgia Institute of Technology (Georgia Tech) investigated methods to allow higher efficiency part-load operation of a Solar Titan 130 gas turbine. The objective was to develop a low-emission combustion system capable of sustaining combustion and avoiding lean blowout during high turndown operation, which would allow the gas turbine to operate as efficiently as possible at part load. Currently, electric utility markets are beginning to experience substantial increases in renewable energy generation. Some of these renewable energy sources have highly variable output in an uncontrolled manner. In order to maintain grid stability, there is a need for power plants to ramp up power to the grid rapidly to make up for drops in renewable generation. This is often termed spinning reserve, but the size of this reserve may need to increase as renewable penetration into the electric utility market increases. Small combined heat and power (CHP) power plants provide a promising option for meeting this spinning reserve requirement. In order to operate in spinning reserve while still meeting the heat requirements for the CHP, the gas turbine needs to operate efficiently at very low loads. Efficient, high turndown operations in this engine are limited by the lean flammability limit of the premixed combustion system. This project sought enhance the lean operability range of the Titan 130 combustor. First, the project team participated in a brainstorming activity and ultimately selected two concepts to explore: fuel augmentation with hydrogen (H2) to improve the stability at lean operating conditions and modifications to the fuel nozzle to improve the emissions performance at lean operating conditions. Analytical and laboratory investigations were accomplished by UCI to investigate the efficacy of H2 addition at improving lean blow out (LBO) limits and the resulting emissions. These investigations used a variety of chemical reactor network (CRN) and CFD models, validated against laboratory data, to model the impact of H 2 and inform the experimental efforts accomplished by SwRI and Solar. Ultimately, both the CRN and CFD models yielded generally good agreement with the experimental data below a particular temperature threshold. Atmospheric tests of a full-scale T130 annular combustor were performed at SwRI facilities in San Antonio, Texas, to investigate the use of H 2 addition. For these tests, the T130 combustion system remained largely unchanged; minor modifications were performed to the fuel ducting to allow for the safe use of H 2 . The test ultimately demonstrated that the addition of H 2 to the fuel mixture significantly increased the AFR ratio at which the combustor could operate. This improvement to the LBO limit should allow for less use of compressor bleed and less throttling needed by the inlet guide vanes (IGV). This in turn could result in more efficient operation of the gas turbine at lower load points. The second modification explored in this work was a direct modification to the T130 injector. The project team hypothesized that modifications to the pilot of the T130 injector could provide lower emissions at high turn-down operations. These modifications were manufactured and explored by the team at Solar. High pressure rig tests, originally slated to occur at SwRI, were ultimately accomplished by Solar to maintain overall project budget and mitigate cost growth attributable to supply chain issues and inflation. The pressurized rig tests ultimately showed that the SwRI Project No. 18.24153 - DE-EE0008415 Page 2 Final Technical Report January 24, 2024 modifications did not significantly alter the performance of the combustion system at the high turn-down conditions; both the modified injectors and the baseline configuration exhibited elevated emissions comparted to the full-load operating condition. A final set of studies performed by EPRI investigated the benefit-cost of flexible CHP as well as a grid interconnection study for the California Independent System Operator (CAISO) grid. These studies considered: traditional CHP with no spinning reserve available for on-demand grid support, 50% flexible CHP where 50% of the machine’s capacity is consumed by on-site baseload operations while providing an additional 50% capacity for on-demand grid support, and 70% flexible CHP where 70% of capacity is consumed on-site by baseload operations and 30% is available for on-demand grid support. In all cases, the analyses showed a benefit-to-cost ratio greater than unity implying a positive net present value for all configurations. However, the traditional CHP showed the most economic benefit. These results are sensitive to several factors, many of which are not fully known and may vary over time. Thus site owners must be convinced that taking up the increased costs and risks from flexible CHP would be worth implementing. As the grid in California and across the country transition to incorporate larger renewable energy generation, flexible CHP can provide much needed operating reserves and dispatchability. Alternative fuel options, such as hydrogen blending and biofuels, may also lower carbon intensities of CHP. Flexible CHP should be examined in the evolving market to understand innovative business models, changes market rules and services, and new technologies.

20 FOSSIL-FUELED POWER PLANTS↗

Waste Management 2016 300-296 Soil Remediation Project. Developing Innovative Solutions to Overcome Design Challenges - 16229

The 324 Building is a non-reactor, Hazard Category 2, Nuclear Facility located in the 300 Area of the U.S. Department of Energy (DOE) Hanford Site, located near Richland, Washington. The building is undergoing deactivation, decommissioning, decontamination, and demolition by Washington Closure Hanford (WCH) under the River Corridor Closure Contract. During the Cold War Era, the facility was used for chemical and radionuclide processing associated with nuclear weapons production. Historical records indicate that in October 1986, approximately 516 L of a concentrated liquid waste stream containing cesium-137 and strontium-90 was spilled onto the floor of B-Cell. B-Cell is located in the Radiochemical Engineering Complex (REC) of the 324 Building. It is estimated that this spill contained approximately 1.3 million curies of radioactivity. Some fraction of the spill was recovered; however, an unknown quantity was released into the soil beneath the 324 Building through an undetected breach in the B-Cell floor sump. Unknown quantities of water were used after the spill to wash items contained in B-Cell. When B-Cell was taken out of service, wastes being removed from B-Cell were placed in Grout Containers (GCs) and stabilized using a particulate grout. In the course of grouting activities, grout was spilled on the floor of B-Cell, eventually filling the sump. The primary scope of this project is to design, test, and implement a process capable of removing and isolating contaminated soil below B-Cell. This remediation effort has been divided into two removal zones identified as the primary and secondary removal zones. Based on current assumptions and estimates, the primary phase of this cleanup effort will remove roughly 156.45 m{sup 3} of highly contaminated materials. B-Cell debris, particulate grout, and the floor slab and liner comprise about 21.24 m{sup 3} of the total. The remaining 135.21 m3 will be contaminated soil. All of this material must be disposed of within the existing 324 Facility or packaged for disposal at the Hanford site. The objective of this project is to remove the B-Cell floor and highly contaminated underlying soils from beneath B-Cell using remote equipment to reduce the radiation levels and allow open-air excavation for the remaining contaminated soil. The challenges and subsequent technological solutions encountered from the Conceptual Design phase to the 100% Design Issued For Fabrication/Issued For Construction (IFF/IFC) consisted in part of the following: Design an efficient remote cleanup strategy for highly contaminated Low Level Waste (LLW) given the unknowns. Maintain contamination control down to 18 feet below B-Cell in a highly radioactive environment (12,870 R/Hr Cs-137 and Sr-90). Perform facility upgrades to enable remediation process implementation while maintaining integrity of pre-existing facility structure and license. Designing first-of-a-kind remote equipment for use in high radiation areas. Developing first-of-a-kind operations sequences for remote equipment while minimizing usage of original facility equipment (i.e. cranes, manipulators, etc.). Conducting time-motion studies of operations sequences to maximize efficiency while keeping dose As Low As Reasonably Achievable (ALARA) in a high dose environment. Construction of a full scale mockup to conduct performance testing in a clean environment and train the work force to operate the equipment. Overcoming scope, budget and schedule constraints associated with a fast-track DOE project. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Collaborative Proposal: Improving understanding of the internal structure and dynamics of deep convection using ARM observations and large eddy simulations

Recent observational and large eddy simulation (LES) modeling studies have nearly unanimously supported the view of deep cumulus convection being composed of a series of quasi-spherical bubbles of buoyant air, known as moist thermals. Despite the prevalence of moist thermals in deep convection, a comprehensive theory for the dynamics of these structures is lacking. Most current conceptual models for cumulus convection are based on canonical scaling theories for dry thermals or plumes; however, there is considerable evidence that the behavior of moist thermals differs markedly from these theories. Furthermore, the theoretical basis for most cumulus parameterizations originates from the plume conceptual model, and therefore these parameterizations are inconsistent with the real structure of moist convection. Motivated by the aforementioned knowledge gaps, this “end-to-end” research effort use theory, observations, numerical simulations, and direct improvements to the Zhang-McFarlane (ZM) convection scheme in the global climate Community Atmosphere Model (CAM) to address the following research questions: What key environmental parameters determine whether or not shallow convection will transition into deep convection, in the context of thermal-like updrafts? What factors regulate the size of thermals within cumulus updrafts? How does vertical wind shear influence thermal behavior, and as a consequence, vertical velocity and mass flux profiles and the shallow-to-deep convective transition? What are the critical processes that determine updraft vertical velocities and their connection to the vertical mass flux profile for thermal-like updrafts? Idealized LES modeling will be used in conjunction with theoretical models for the core properties of thermal-like updrafts to better understand key processes that regulate thermal ascent rates and entrainment properties. Thermal-tracking procedures will be used to characterize the behavior of thermals within the LES, and recently developed direct measures of entrainment and detrainment will be used to quantify entrainment/detrainment rates. Building from these results, we will analyze the structure of moist thermals from hemispheric range-height indicator scans taken during the Atmospheric Radiation Measurement Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign, and from “real case” LES of CACTI events. This combined modeling and observational analysis will provide essential validation for the existing body of research on moist thermal dynamics, which is based primarily on modeling studies. With the insight gained from the aforementioned activities, we will modify the Zhang-McFarlane convection scheme to improve its representation of updraft vertical velocity and entrainment rate profiles. These process-level changes will be tested in the Community Atmosphere Model to assess the impact on global climate simulations.

54 ENVIRONMENTAL SCIENCES↗

Sorption Modeling and Verification for Off-Gas Treatment

The project has made progress toward developing a comprehensive modeling capability for the capture of target species in off gas evolved during the reprocessing of nuclear fuel. The effort has integrated experimentation, model development, and computer code development for adsorption and absorption processes. For adsorption, a modeling library has been initiated to include (a) equilibrium models for uptake of off-gas components by adsorbents, (b) mass transfer models to describe mass transfer to a particle, diffusion through the pores of the particle and adsorption on the active sites of the particle, and (c) interconnection of these models to fixed bed adsorption modeling which includes advection through the bed. For single-component equilibria, a Generalized Statistical Thermodynamic Adsorption (GSTA) code was developed to represent experimental data from a broad range of isotherm types; this is equivalent to a Langmuir isotherm in the two-parameter case, and was demonstrated for Kr on INL-engineered sorbent HZ PAN, water sorption on molecular sieve A sorbent material (MS3A), and Kr and Xe capture on metal-organic framework (MOF) materials. The GSTA isotherm was extended to multicomponent systems through application of a modified spreading pressure surface activity model and generalized predictive adsorbed solution theory; the result is the capability to estimate multicomponent adsorption equilibria from single-component isotherms. This advance, which enhances the capability to simulate systems related to off-gas treatment, has been demonstrated for a range of real-gas systems in the literature and is ready for testing with data currently being collected for multicomponent systems of interest, including iodine and water on MS3A. A diffusion kinetic model for sorbent pellets involving pore and surface diffusion as well as external mass transfer has been established, and a methodology was developed for determining unknown diffusivity parameters from transient uptake data. Two parallel approaches have been explored for integrating the kernels described above into a mass-transport model for adsorption in fixed beds. In one, the GSTA isotherm kernel has been incorporated into the MOOSE framework; in the other approach, a focused finite-difference framework and PDE kernels have been developed. Issues, including oscillatory behavior in MOOSE solutions to advection-diffusion problems, and opportunities have been identified for each approach, and a path forward has been identified toward developing a stronger modeling platform. Experimental systems were established for collection of microscopic kinetics and equilibria data for single and multicomponent uptake of gaseous species on solid sorbents. The systems, which can operate at ambient temperature to 250°C and dew points from -69 to 17°C, are useful for collecting data needed for modeling performance of sorbents of interest. Experiments were conducted to determine applicable models and parameters for isotherms and mass transfer for water and/or iodine adsorption on MS3A. Validation experiments were also conducted for water adsorption on fixed beds of MS3A. For absorption, work involved modeling with supportive experimentation. A dynamic model was developed to simulate CO 2 absorption with chemical reaction using high alkaline content water solutions. A computer code was developed to implement the model based upon transient mass and energy balances. Experiments were conducted in a laboratory-scale column to determine model parameters. The influence of geometric parameters and operating variables on CO 2 absorption was studied over a wide range of conditions. This project has resulted in 7 publications, with 3 manuscripts in preparation. Also, 15 presentations were given at national meetings of ANS and AIChE and at Material Recovery and Waste Forms Campaign Working Group meetings.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Concepts and Tests for the Remote-Controlled Dismantling of the Biological Shield and Form work of the KNK Reactor - 13425

The compact sodium-cooled nuclear reactor facility Karlsruhe (KNK), a prototype Fast Breeder, is currently in an advanced stage of dismantling. Complete dismantling is based on 10 partial licensing steps. In the frame of the 9. decommissioning permit, which is currently ongoing, the dismantling of the biological shield is foreseen. The biological shield consists of heavy reinforced concrete with built-in steel fitments, such as form-work of the reactor tank, pipe sleeves, ventilation channels, and measuring devices. Due to the activation of the inner part of the biological shield, dismantling has to be done remote-controlled. During a comprehensive basic design phase a practical dismantling strategy was developed. Necessary equipment and tools were defined. Preliminary tests revealed that hot wire plasma cutting is the most favorable cutting technology due to the geometrical boundary conditions, the varying distance between cutter and material, and the heavy concrete behind the steel form-work. The cutting devices will be operated remotely via a carrier system with an industrial manipulator. The carrier system has expandable claws to adjust to the varying diameter of the reactor shaft during dismantling progress. For design approval of this prototype development, interaction between manipulator and hot wire plasma cutting was tested in a real configuration. For the demolition of the concrete structure, an excavator with appropriate tools, such as a hydraulic hammer, was selected. Other mechanical cutting devices, such as a grinder or rope saw, were eliminated because of concrete containing steel spheres added to increase the shielding factor of the heavy concrete. Dismantling of the biological shield will be done in a ring-wise manner due to static reasons. During the demolition process, the excavator is positioned on its tripod in three concrete recesses made prior to the dismantling of the separate concrete rings. The excavator and the manipulator carrier system will be operated alternately. Main boundary condition for all the newly designed equipment is the decommissioning housing of limited space within the reactor building containment. To allow for a continuous removal of the concrete rubble, an additional opening on the lowest level of the reactor shaft will be made. All equipment and the interaction of the tools have to be tested before use in the controlled area. Therefore a full-scale model of the biological shield will be provided in a mock-up. The tests will be performed in early 2014. The dismantling of the biological shield is scheduled for 2015. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Surface Meteorology at Teller Mile 47 Watershed, Seward Peninsula, Alaska, Ongoing from 2018

Meteorological data are currently being collected at one location at the Teller Mile 47 (TL_MM47) Research Basin Site, Seward Peninsula (N64 58' 36.918", W166 12' 32.67", 67 meters above sea level). The site was installed and initial measurements started in September 2018 and it has operated continuously since then. The meteorological station is co-located with a continuous snow depth sensor and two soil pits for subsurface temperature and moisture measurements. These data are being collected to better understand the energy dynamics above the active layer and permafrost. They complement in-situ snow and soil measurements also at this location. The data could also be used as supporting measurements for other research and modeling activities. There are 35 comma separated value format (*.csv) files provided, where each file contains the full data for an individual parameter (e.g. air temperature at 1.5 meters above the ground surface (teller_m47_air_temperature_150cm_ags_Avg.csv) or soil temperature 20 centimeters below ground surface (teller_m47_dry_soil_pit_temperature_20cmbgs_Avg.csv)) plus the time in Universal Coordinated Time (UTC) and Alaska Standard Time (UTC time minus nine hours). The site was installed and initial measurements started in September 2018. It has been operated continuously since. Primary data gaps are due to battery failure or sensor failure. These data are being collected to better understand the surface energy dynamics above the active layer and permafrost. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 10-year research effort (2012-2022) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy?s Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy?s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

THERMAL MODELING ANALYSIS OF CST MEDIA IN THE SMALL COLUMN ION EXCHANGE PROJECT

Models have been developed to simulate the thermal characteristics of Crystalline Silicotitanate (CST) ion exchange media fully loaded with radioactive cesium in a column configuration and distributed within a waste storage tank. This work was conducted to support the Small Column Ion Exchange (SCIX) program which is focused on processing dissolved, high-sodium salt waste for the removal of specific radionuclides (including Cs-137, Sr-90, and actinides) within a High Level Waste (HLW) storage tank at the Savannah River Site. The SCIX design includes CST columns inserted and supported in the tank top risers for cesium removal. Temperature distributions and maximum temperatures across the column were calculated with a focus on process upset conditions. A two-dimensional computational modeling approach for the in-column ion-exchange domain was taken to include conservative, bounding estimates for key parameters such that the results would provide the maximum centerline temperatures achievable under the design configurations using a feed composition known to promote high cesium loading on CST. One salt processing scenario includes the transport of the loaded (and possibly ground) CST media to the treatment tank floor. Therefore, additional thermal modeling calculations were conducted using a three-dimensional approach to evaluate temperature distributions for the entire in-tank domain including distribution of the spent CST media either as a mound or a flat layer on the tank floor. These calculations included mixtures of CST with HLW sludge or loaded Monosodium Titanate (MST) media used for strontium/actinide sorption. The current full-scale design for the CST column includes one central cooling pipe and four outer cooling tubes. Most calculations assumed that the fluid within the column was stagnant (i.e. no buoyancy-induced flow) for a conservative estimate. A primary objective of these calculations was to estimate temperature distributions across packed CST beds immersed in waste supernate or filled with dry air under various accident scenarios. Accident scenarios evaluated included loss of salt solution flow through the bed (a primary heat transfer mechanism), inadvertent column drainage, and loss of active cooling in the column. The calculation results showed that for a wet CST column with active cooling through one central and four outer tubes and 35 C ambient external air, the peak temperature for the fully-loaded column is about 63 C under the loss of fluid flow accident, which is well below the supernate boiling point. The peak temperature for the naturally-cooled (no active, engineered cooling) wet column is 156 C under fully-loaded conditions, exceeding the 130 C boiling point. Under these conditions, supernate boiling would maintain the column temperature near 130 C until all supernate was vaporized. Without active engineered cooling and assuming a dry column suspended in unventilated air at 35 C, the fully-loaded column is expected to rise to a maximum of about 258 C due to the combined loss-of coolant and column drainage accidents. The modeling results demonstrate that the baseline design using one central and four outer cooling tubes provides a highly efficient cooling mechanism for reducing the maximum column temperature. Results for the in-tank modeling calculations clearly indicate that when realistic heat transfer boundary conditions are imposed on the bottom surface of the tank wall, as much as 450 gallons of ground CST (a volume equivalent to two ion exchange processing cycles) in an ideal hemispherical shape (the most conservative geometry) can be placed in the tank without exceeding the 100 C wall temperature limit. Furthermore, in the case of an evenly-distributed flat layer, the tank wall reaches the temperature limit after the ground CST material reaches a height of approximately 8 inches.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Expansion of Michigan EOR Operations Using Advanced Amine Technology at a 600 MW Project Wolverine Carbon Capture and Storage Project

Wolverine Power Supply Cooperative Inc, a member owned cooperative utility based in Cadillac Michigan, proposes to demonstrate the capture, beneficial utilization and storage of CO{sub 2} in the expansion of existing Enhanced Oil Recovery operations. This project is being proposed in response to the US Department of Energy Solicitation DE-FOA-0000015 Section III D, 'Large Scale Industrial CCS projects from Industrial Sources' Technology Area 1. The project will remove 1,000 metric tons per day of CO{sub 2} from the Wolverine Clean Energy Venture 600 MW CFB power plant owned and operated by WPC. CO{sub 2} from the flue gas will be captured using Hitachi's CO{sub 2} capture system and advanced amine technology. The capture system with the advanced amine-based solvent supplied by Hitachi is expected to significantly reduce the cost and energy requirements of CO{sub 2} capture compared to current technologies. The captured CO{sub 2} will be compressed and transported for Enhanced Oil Recovery and CO{sub 2} storage purposes. Enhanced Oil Recovery is a proven concept, widely used to recover otherwise inaccessible petroleum reserves. While post-combustion CO{sub 2} capture technologies have been tested at the pilot scale on coal power plant flue gas, they have not yet been demonstrated at a commercial scale and integrated with EOR and storage operations. Amine-based CO{sub 2} capture is the leading technology expected to be available commercially within this decade to enable CCS for utility and industrial facilities firing coal and waste fuels such as petroleum coke. However, traditional CO{sub 2} capture process utilizing commercial amine solvents is very energy intensive for regeneration and is also susceptible to solvent degradation by oxygen as well as SOx and NO{sub 2} in the flue gas, resulting in large operating costs. The large volume of combustion flue gas with its low CO{sub 2} concentration requires large equipment sizes, which together with the highly corrosive nature of the typical amine-based separation process leads to high plant capital investment. According to recent DOE-NETL studies, MEA-based CCS will increase the cost of electricity of a new pulverized coal plant by 80-85% and reduce the net plant efficiency by about 30%. Non-power industrial facilities will incur similar production output and efficiency penalties when implementing conventional carbon capture systems. The proposed large scale demonstration project combining advanced amine CO{sub 2} capture integrated with commercial EOR operations significantly advances post-combustion technology development toward the DOE objectives of reducing the cost of energy production and improving the efficiency of CO{sub 2} Capture technologies. WPC has assembled a strong multidisciplinary team to meet the objectives of this project. WPC will provide the host site and Hitachi will provide the carbon capture technology and advanced solvent. Burns and Roe bring expertise in overall engineering integration and plant design to the team. Core Energy, an active EOR producer/operator in the State of Michigan, is committed to support the detailed design, construction and operation of the CO{sub 2} pipeline and storage component of the project. This team has developed a Front End Engineering Design and Cost Estimate as part of Phase 1 of DOE Award DE-FE0002477.

01 COAL, LIGNITE, AND PEAT↗

Ocean Energy: Markets - Currency - Impact. Dimension of & Choices in the Technology Development Space: Preprint

This paper presents considerations of the employment of ocean wave energy to support different energy demand side applications. The key aspect in these considerations is the wave energy supported achievable positive impact and associated tangible contribution in service of common societal good and of the natural commons. The level of impact that can be delivered is dependent on both, the level of contribution of the supported energy use application, and the compatibility and unique suitability of the wave energy resource and its characteristics with the needs of the application. Thus, a variety of ocean wave energy markets, the key value indicators or "currency' in which these markets trade the value delivered and the achievable positive impact, are reflected upon. Ocean wave energy supported acquisition of high quality ocean system data across a wide spectrum of system properties is identified as a highly impactful application enabling and/or improving a comprehensive range of impactful ocean system activities. The technology development process towards these markets and desired impacts requires relevant technology development progress guidance and metrics. Going beyond technology readiness levels and technology performance levels, the notion of further technology development progress scales towards high impact and high contribution are proposed. These scales and the associated technology properties can be regarded as additional technology development dimensions to span-up the technology development space in which desired system capability and functional requirement choices and subsequent ideation, innovation, research and technology development decisions can and are to be made.

data market↗

Gaseous time projection chambers for rare event detection: results from the T-REX project. II. Dark matter

As part of the T-REX project, a number of R and D and prototyping activities have been carried out during the last years to explore the applicability of gaseous Time Projection Chambers (TPCs) with Micromesh Gas Structures (Micromegas) in rare event searches like double beta decay, axion research and low-mass WIMP searches. While in the companion paper we focus on double beta decay, in this paper we focus on the results regarding the search for dark matter candidates, both axions and WIMPs. Small (few cm wide) ultra-low background Micromegas detectors are used to image the axion-induced x-ray signal expected in axion helioscopes like the CERN Axion Solar Telescope (CAST) experiment. Background levels as low as 0.8 × 10{sup −6} counts keV{sup −1} cm{sup −2} s{sup −1} have already been achieved in CAST while values down to ∼10{sup −7} counts keV{sup −1} cm{sup −2} s{sup −1} have been obtained in a test bench placed underground in the Laboratorio Subterráneo de Canfranc (LSC). Prospects to consolidate and further reduce these values down to ∼10{sup −8} counts keV{sup −1} cm{sup −2} s{sup −1} will be described. Such detectors, placed at the focal point of x-ray telescopes in the future International Axion Observatory (IAXO), would allow for 10{sup 5} better signal-to-noise ratio than CAST, and search for solar axions with g{sub a}γ down to few 10{sup 12} GeV{sup −1}, well into unexplored axion parameter space. In addition, a scaled-up version of these TPCs, properly shielded and placed underground, can be competitive in the search for low-mass WIMPs. The TREX-DM prototype, with ∼ 0.300 kg of Ar at 10 bar, or alternatively ∼ 0.160 kg of Ne at 10 bar, and energy threshold well below 1 keV, has been built to test this concept. We will describe the main technical solutions developed, as well as the results from the commissioning phase on surface. The anticipated sensitivity of this technique might reach ∼10{sup −44} cm{sup 2} for low mass (<10 GeV) WIMPs, well beyond current experimental limits in this mass range.

79 ASTRONOMY AND ASTROPHYSICS↗

Towards Energy-Positive Buildings through a Quality-Matched Energy Flow Strategy

Current strategies for net-zero buildings favor envelopes with minimized aperture ratios and limiting of solar gains through reduced glazing transmittance and emissivity. This load-reduction approach precludes strategies that maximize on-site collection of solar energy, which could increase opportunities for net-zero electricity projects. To better leverage solar resources, a whole-building strategy is proposed, referred to as “Quality-Matched Energy Flows” (or Q-MEF): capturing, transforming, buffering, and transferring irradiance on a building’s envelope—and energy derived from it—into distributed end-uses. A mid-scale commercial building was modeled in three climates with a novel Building-Integrated, Transparent, Concentrating Photovoltaic and Thermal fenestration technology (BITCoPT), thermal storage and circulation at three temperature ranges, adsorption chillers, and auxiliary heat pumps. BITCoPT generated electricity and collected thermal energy at high efficiencies while transmitting diffuse light and mitigating excess gains and illuminance. The balance of systems satisfied cooling and heating demands. Relative to baselines with similar glazing ratios, net electricity use decreased 71% in a continental climate and 100% or more in hot-arid and subtropical-moderate climates. Total EUI decreased 35%, 83%, and 52%, and peak purchased electrical demands decreased up to 6%, 32%, and 20%, respectively (with no provisions for on-site electrical storage). Decreases in utility services costs were also noted. These results suggest that with further development of electrification the Q-MEF strategy could contribute to energy-positive behavior for projects with similar typology and climate profiles.

54 ENVIRONMENTAL SCIENCES↗

International Linear Collider Physics and Detectors (2011 Status Report)

The studies of physics and detectors for the International Linear Collider are an important parallel element to the effort for the ILC Technical Design Report. The studies comprise the physics opportunities, detector requirements, and detector development to achieve the challenging high performance demanded by the physics, as well as integration of detectors into the accelerator. The current phase of this effort began with a call for Letters of Intent (LOIs) in 2007 and will lead to the submission of Detailed Baseline Design (DBD) report together with the ILC Technical Design Report at the end of 2012. Here we summarise the current status of this process, review what it has accomplished and identify the work that still needs to be completed. This report, titled International Linear Collider Physics and Detectors: 2011 Status Report, does just this. This report begins with a discussion of the outstanding issues in physics that motivate the construction of the ILC. It describes the organisation of the LOI process, the validation of the LOIs by the International Detector Advisory Group, and the results of R&D carried out to support the detector designs. The details of the concept detectors have already been published in the LOIs, which were completed in 2009. This report will, in a complementary way, describe the status of the detector R&D for each individual detector component and the status of the physics simulation infrastructure that has been built for the detector design process. Much of this work is carried out in cooperation between the two detector concept groups. This report describes the five common task groups and two working groups that have organised these cooperative activities. Many members of the detector concept groups and the common task groups have contributed to this report. Many more people have carried out the actual work that is reviewed. The complete list of members of each detector concept group can be found from the author lists of the published LOIs. The members of the ILC physics and detector organisation are listed at the end of this document. As we are now nearing the completion of the DBD phase, we are also entering a new stage of our preparation process. The experiments at the Large Hadron Collider at CERN, Switzerland, are accumulating data and are extending our knowledge of the physics of the teraelectronvolt energy scale. The LHC results may confirm the standard model of electroweak symmetry breaking or they may deliver something completely new. In either case, we believe, the ILC will be critical to resolve the questions that the LHC programme will bring forward. In any scenario, we will need very high-quality detectors and excellent technical and simulation capabilities. This report describes the status of our work in pursuit of that goal.

Brau, James E.↗

A Proposal for a Ton Scale Bubble Chamber for Dark Matter Detection

The nature of non-baryonic dark matter is one of the most intriguing questions for particle physics at the start of the 21st century. There is ample evidence for its existence, but almost nothing is known of its properties. WIMPs are a very appealing candidate particle and several experimental campaigns are underway around the world to search for these particles via the nuclear recoils that they should induce. The COUPP series of bubble chambers has played a significant role in the WIMP search. Through a sequence of detectors of increasing size, a number of R&D issues have arisen and been solved, and the technology has now been advanced to the point where the construction of large chambers requires a modest research effort, some development, but mostly just engineering. It is within this context that we propose to build the next COUPP detector - COUPP-500, a ton scale device to be built over the next three years at Fermilab and then deployed deep underground at SNOLAB. The primary advantages of the COUPP approach over other technologies are: (1) The ability to reject electron and gamma backgrounds by arranging the chamber thermodynamics such that these particles do not even trigger the detector. (2) The ability to suppress neutron backgrounds by having the radioactively impure detection elements far from the active volume and by using the self-shielding of a large device and the high granularity to identify multiple bubbles. (3) The ability to build large chambers cheaply and with a choice of target fluids. (4) The ability to increase the size of the chambers without changing the size or complexity of the data acquisition. (5) Sensitivity to spin-dependent and spin-independent WIMP couplings. These key advantages should enable the goal of one background event in a ton-year of exposure to be achieved. The conceptual design of COUPP-500 is scaled from the preceding devices. In many cases all that is needed is a simple scaling up of components previously used. Calibration and R&D are still needed on some aspects of the system. We know we have the ability to distinguish alpha-induced events from nuclear recoils, but we do not yet know whether the combination of material purity and rejection are good enough to run for a year with no alpha background. We also need to have more detailed measurements of the detector threshold and a better understanding of its high gamma rejection. In addition, there are important checks to make on the longevity of the detector components in the hydraulic fluid and on the chemistry of the active fluid. The 2009 PASAG report explicitly supported the construction of the COUPP-500 device in all funding scenarios. The NSF has shown similar enthusiasm. It awarded one of its DUSEL S4 grants to assist in the engineering needed to build COUPP-500. The currently estimated cost of COUPP-500 is $8M, about half the $15M-$20M price tag expected by the PASAG report for a next generation dark matter search experiment. The COUPP-500 device will have a spin independent WIMP-nucleus cross-section sensitivity of 6 x 10{sup -47} cm{sup 2} after a background-free year of running. This device should then provide the benchmark against which all other WIMP searches are measured.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

International Low Level Waste Disposal Practices and Facilities

The safe management of nuclear waste arising from nuclear activities is an issue of great importance for the protection of human health and the environment now and in the future. The primary goal of this report is to identify the current situation and practices being utilized across the globe to manage and store low and intermediate level radioactive waste. The countries included in this report were selected based on their nuclear power capabilities and involvement in the nuclear fuel cycle. This report highlights the nuclear waste management laws and regulations, current disposal practices, and future plans for facilities of the selected international nuclear countries. For each country presented, background information and the history of nuclear facilities are also summarized to frame the country's nuclear activities and set stage for the management practices employed. The production of nuclear energy, including all the steps in the nuclear fuel cycle, results in the generation of radioactive waste. However, radioactive waste may also be generated by other activities such as medical, laboratory, research institution, or industrial use of radioisotopes and sealed radiation sources, defense and weapons programs, and processing (mostly large scale) of mineral ores or other materials containing naturally occurring radionuclides. Radioactive waste also arises from intervention activities, which are necessary after accidents or to remediate areas affected by past practices. The radioactive waste generated arises in a wide range of physical, chemical, and radiological forms. It may be solid, liquid, or gaseous. Levels of activity concentration can vary from extremely high, such as levels associated with spent fuel and residues from fuel reprocessing, to very low, for instance those associated with radioisotope applications. Equally broad is the spectrum of half-lives of the radionuclides contained in the waste. These differences result in an equally wide variety of options for the management of radioactive waste. There is a variety of alternatives for processing waste and for short term or long term storage prior to disposal. Likewise, there are various alternatives currently in use across the globe for the safe disposal of waste, ranging from near surface to geological disposal, depending on the specific classification of the waste. At present, there appears to be a clear and unequivocal understanding that each country is ethically and legally responsible for its own wastes, in accordance with the provisions of the Joint Convention on the Safety of Spent Fuel Management and on the Safety of Radioactive Waste Management. Therefore the default position is that all nuclear wastes will be disposed of in each of the 40 or so countries concerned with nuclear power generation or part of the fuel cycle. To illustrate the global distribution of radioactive waste now and in the near future, Table 1 provides the regional breakdown, based on the UN classification of the world in regions illustrated in Figure 1, of nuclear power reactors in operation and under construction worldwide. In summary, 31 countries operate 433 plants, with a total capacity of more than 365 gigawatts of electrical energy (GW[e]). A further 65 units, totaling nearly 63 GW(e), are under construction across 15 of these nations. In addition, 65 countries are expressing new interest in, considering, or actively planning for nuclear power to help address growing energy demands to fuel economic growth and development, climate change concerns, and volatile fossil fuel prices. Of these 65 new countries, 21 are in Asia and the Pacific region, 21 are from the Africa region, 12 are in Europe (mostly Eastern Europe), and 11 in Central and South America. However, 31 of these 65 are not currently planning to build reactors, and 17 of those 31 have grids of less than 5 GW, which is said to be too small to accommodate most of the reactor designs available. For the remaining 34 countries actively planning reactors, as of September 2010: 14 indicate a strong intention to precede with introduction of nuclear power; 7 are preparing but haven't made a final decision, 10 have made a decision and are preparing infrastructure, 2 have ordered a new nuclear power plant, and 1 has a plant under construction. In all countries interested in pursuing nuclear power, it is necessary for the governments to create an environment for investment and advancement of nuclear power, including development of a professional and independent regulatory framework and regime, knowledge and refinement of skills in nuclear safety and control, definition of policies on nuclear waste management and decommissioning, and participation in international non-proliferation measures. Specifically related to radioactive waste management, nuclear facilities and industries that utilize radioactive material work to well-established safety standards for the management of their waste.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Arctic Shrub Expansion, Plant Functional Trait Variation, and Effects on Belowground Carbon Cycling (Final Technical Report)

Terrestrial ecosystems are undergoing dramatic changes in response to climate warming, and these changes are expected to feedback to the atmosphere, potentially altering the trajectory of future climate change. Feedbacks from Arctic ecosystems are a major concern because the Arctic is projected to warm significantly in the 21 st century and because >50% of global belowground organic carbon is stored in permafrost and overlying soils. Warming-driven release of this carbon could drastically increase atmospheric greenhouse gas concentrations and accelerate climate warming. Plant communities are also responding to warming, as evidenced by the widely documented increase in woody-shrub growth and “greening” across much of the Arctic tundra biome. This vegetation shift may offset or amplify warming by altering carbon cycling. The direction and magnitude of shrub effects remain highly uncertain, however, due to limited understanding of the consequences of shrub expansion for belowground carbon cycling and simplification of these relationships in models. The major shrubs expanding in the Arctic (Betula, Salix, and Alnus) vary widely with respect to aboveground and belowground traits (e.g., tissue production and chemistry, rooting depth, microbial symbionts), and may also exhibit substantial intraspecific variation in these traits in response to environmental conditions. Such variation is likely to have profound implications for soil carbon cycling. The overarching goal of this project was to improve process-based understanding of the influence of shrub expansion on carbon cycling to enable improved representation of carbon dynamics in ecosystem and Earth system models. We investigated how plant functional traits vary among shrub genera, respond to environmental conditions, and affect belowground carbon and nutrient cycling by quantifying relationships among functional traits and biogeochemical cycling along edaphic gradients nested within a climate gradient in the Alaskan tundra. We found consistent differences in leaf and root traits among shrub genera and between shrubs and a widespread sedge species, indicating diverse nutrient acquisition strategies and belowground impacts among different arctic shrubs. We also found striking differences in trait values among individuals within the same species or genera within sites. Soil parameters were more important than climate parameters for predicting size and leaf trait variation, and root trait responses were less dependent on climate overall. For all but one root trait, including parameters representing aboveground traits improved the predictive ability of models. These results demonstrate that tundra shrub traits vary considerably at local scales and soil factors drive this variation, especially belowground. Furthermore, leveraging information about aboveground traits and soil conditions can improve predictions of how belowground traits will respond to climate change. Despite these differences, soil carbon and nitrogen pools in the active layer did not vary among plots dominated by different shrub or sedge genera. Instead, pool sizes generally decreased from warmer to colder sites, consistent with a productivity gradient. Patterns of isotopic N composition indicate that shrubs tighten nitrogen cycling via nitrogen resorption or immobilization of shrub litter. Overall, these results suggest that further identifying the specific shrub genera in the tundra landscape will ultimately provide better predictions of belowground dynamics across the changing arctic. We also performed simulation experiments with the Terrestrial Ecosystem Model (TEM) incorporated in the Predictive Ecosystem Analyzer (PEcAn) framework, treats model parameters as probability distributions, estimates parameters based on a synthesis of available field data, and then quantifies both model sensitivity and uncertainty to a given parameter or suite of parameters. We performed simulations across different types of tundra, including shrub tundra. One key finding was that both model sensitivity and uncertainty to a given parameter could vary within the same type of tundra, but in a different geographical location, such as over the climate gradient of shrub tundra described above. We organized a special session at the annual meeting of the Ecological Society of America in August 2019 to disseminate our results, refine recommendations for model improvement, and initiate collaborations to implement these recommendations in existing models of tundra carbon dynamics at ecosystem to Earth system scales. Our results support DOE near-term priorities by providing mechanistic insights into the role of vegetation change in the terrestrial carbon cycle in a region that is inadequately represented in Earth system models. Current models reduce the complexity of Arctic vegetation to a small number of plant functional types (PFTs). This approach implicitly assumes that each PFT represents the average ecological function of its constituent species, thus ignoring the effects of trait variation on biogeochemical cycling and potentially leading to large uncertainty in the sign and magnitude of ecosystem feedbacks to climate. By quantifying variation of plant functional traits across broad gradients of climatic and edaphic conditions and elucidating the linkages of such variation with carbon and nutrient cycling, our results illustrate the need and create a foundation for further developing trait-based modeling approaches that allow the traits of PFTs to vary as a function of environmental conditions. These approaches should improve the capacity of simulation models to offer insights into ecosystem carbon dynamics associated with novel plant communities in a rapidly changing Arctic.

54 ENVIRONMENTAL SCIENCES↗

Atomic-scale Imaging of PGM-free Catalyst Active Sites by 30 keV 4D-STEM

Platinum group metal (PGM)-free catalysts have attracted a large amount of attention due to their potential for enabling low-cost, commercially viable hydrogen fuel cells and electrolyzers [1]. Degradation of cell performance remains a significant challenge, however, currently limiting implementation of devices that utilize PGM-free materials [2]. Controlling degradation in these materials requires a better understanding of the atomic structure of active sites, thought to be FeN4 structures within a graphitic carbon lattice, which would enable more accurate prediction of the associated degradation pathways. The exact structural arrangement of active sites in these materials is still debated since a range of structures have been computationally predicted and methods to directly validate these models are still needed [1,3-5].While scanning transmission electron microscopy (STEM) has provided initial glimpses into the nature of the proposed active sites, detailed evaluation of the structure of these sites is challenging since they involve defects, edges, and nitrogen dopants in the graphitic lattice, which are susceptible to beam damage [6,7]. Conventional STEM imaging and spectroscopy methods exacerbate this problem with dose-inefficiency or nonideal contrast characteristics for imaging light and heavy elements simultaneously. A method that minimizes damage while generating dose-efficient, easily-interpretable contrast for both light and heavy elements is therefore needed to facilitate imaging of sensitive active site atomic structure.Here, we demonstrate direct atomic-scale imaging of PGM-free catalyst active sites by low-voltage four-dimensional (4D)-STEM. To accomplish this, we pair a 30 keV aberration-corrected probe, which minimizes knock-on damage, with a fast pixelated detector that has optimal performance at low beam energies [8]. We show how this setup enables relatively simple center-of-mass (CoM) techniques [9,10] to produce images with an increased signal-to-noise ratio (SNR) and light-element contrast over conventional imaging modes, allowing the entire active site structure to be imaged at the atomic scale. Moreover, we show how electron ptychography [11,12] enables images with further improved characteristics to be obtained, for example by minimizing residual aberrations, which provides a more accurate structural representation. The increased understanding that these low-voltage 4D-STEM techniques will provide about the atomic structure of PGM-free active sites and their associated degradation pathways will facilitate rational design of next-generation materials, promoting development of low-cost hydrogen fuel cells, electrolyzers, and other energy conversion devices [13]. References:[1] U Martinez et al., Adv. Mater. 31 (2019), p. 1806545.[2] Y Shao et al., Adv. Mater. 31 (2019), p. 1807615.[3] J Kneebone et al., J. Phys. Chem. C 121, (2017), p.16283.[4] T Mineva et al., ACS Catal. 9 (2019), p. 9359.[5] J Li et al., Nat. Catal. 4 (2021), p. 10.[6] T Susi et al., ACS Nano 6 (2012), p. 8837.[7] P Zelenay and DJ Myers, US Department of Energy Hydrogen and Fuel Cells Program 2017 Annual Merit Review and Peer Evaluation Meeting, Washington, DC (2017).[8] H Ryll et al., J. Inst. 11 (2016), p. P04006.[9] K Müller et al., Nat. Commun. 5 (2014), p. 5653.[10] I Lazic et al., Ultramicroscopy 160 (2016), p. 265.[11] H Yang et al., Nat. Commun. 7 (2016), p. 12532.[12] Y Jiang et al., Nature 559 (2018), p. 343. [13] Research sponsored by the Hydrogen and Fuel Cell Technologies Office, Office of Energy Efficiency and Renewable Energy, US Department of Energy (DOE). Research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility.

Zachman, Michael↗

Research and Technology Development Activities to Address the DOE-EM Environmental Mercury Challenge

Human activities have altered trace metal distributions globally. This is especially true for the trace metal mercury (Hg), a pervasive global pollutant that can be methylated to form highly toxic methylmercury (MeHg), which bioaccumulates in aquatic food webs, endangering humans and other biota. Currently there are more than 3,000 mercury-contaminated sites identified worldwide and the United Nations Environment Programme has recently highlighted the risk of this contamination to human health [1, 2]. The Oak Ridge Reservation (ORR) represents an example of one of these mercury-contaminated sites. Unlike other contaminants metals, radionuclides, and organic solvents that impact the Department of Energy Office of Environmental Management (DOE-EM) cleanup program at the ORR and other DOE sites, mercury has several unique characteristics that make environmental remediation of the Y-12 National Security Complex one of the most formidable challenges ever encountered. These distinctive physicochemical properties for mercury include the following: it is a liquid at ambient temperature and pressure; it is the only metal that biomagnifies; and it is the only contaminant transported as a cation, as a dissolved or gaseous elemental metal (similar to an organic solvent), or as both a cation and a dissolved or gaseous elemental metal under environmental conditions. Because of these complexities, implementing cost effective and sustainable solutions that reduce mercury flux from various primary and secondary contamination sources will require linking basic science understanding and applied research advancements into Oak Ridge Office of Environmental Management s (OREM) cleanup process. Currently, DOE is investing in mercury-related research through a variety of programs, including the Office of Science sponsored Critical Interfaces Science Focus Area, EM headquarters sponsored Applied Field Research Initiative, OREM-sponsored Lower East Fork Poplar Creek (LEFPC) Mercury Technology Development Program, Small Business Innovative Research (SBIR), and EM s Minority Serving Institutions Partnership Program. Collectively, these multi-institutional and multidisciplinary programs are generating new tools, knowledge, and remediation approaches that will enable efficient cleanup of mercury contaminated systems locally and globally. In this talk we will highlight the progress made to date in addressing key knowledge gaps required to solve this watershed-scale conundrum.

Pierce, Eric M↗