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Developing Residential Energy Usage Baselines and Energy Efficiency Options

FCPC has been a leader in energy conservation not only in the State of Wisconsin, but nationally, as well. In 2016, the Environmental Protection Agency (EPA) ranked FCPC 11th in its Top 30 Local Government List as a result of the extensive measures the Tribe has taken toward its goal of achieving 100% carbon-neutral energy independence. Some of these efforts include the reduction of the Tribal government workweek to four days instead of five, the purchase of renewable energy certificates to more than offset the Tribe’s annual energy consumption, the installation of solar photovoltaic systems, and the completion of energy audits of Tribal government facilities. Until now, FCPC has focused on energy efficiency options for government and enterprise buildings, but it is now time to broaden the scope of energy efficiency to include the Tribe’s residential community. The Tribe’s Energy Working Group has identified the completion of home energy audits as one of its more imminent goals, as formal energy evaluations have yet to be completed on residential dwellings on the FCPC reservation. Tribal leadership is already looking ahead to the anticipated outcome of these energy audits and has taken steps to develop a cost sharing program that will assist Tribal homeowners to implement identified efficiency options as a result of this project.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Multilevel Analysis, Design, and Modeling of Coupling Advanced Nuclear Reactors and Thermal Energy Storage in an Integrated Energy System

This report discusses the different options for coupling thermal energy storage (TES) systems to advanced nuclear power plants (A-NPPs) in order to enable flexible and hybrid plant operation. An advanced light-water reactor (A LWR), a high-temperature gas-cooled reactor (HTGR) and a liquid-metal fast reactor (LMFR) were selected as the initial use cases for demonstrating a thermally balanced energy storage coupling design for thermal power extraction. The models presented herein showcase several design considerations, focusing on optimal deployment methodologies for achieving steady-state and transient-state operation with minimum disruption to the nuclear power cycle. This first part of the study presents steady-state models developed using Aspen HYSYS®, with the thermal energy bypass for NPP-TES coupling being varied at up to 50%. The various components were sized using the Aspen Process Economic Analyzer (APEA) and Aspen Exchanger Design and Rating (EDR), when applicable. Cost functions from these models were developed using the latest publicly available data obtained from APEA V11. The TES-coupled A-NPP steady-state models and cost functions then provided a baseline for dynamic operation and process optimization by using Idaho National Laboratory (INL)’s Framework for Optimization of Resources and Economics (FORCE) tools. A stochastic optimization of the various energy storage systems coupled to the A-NPPs was then performed using the Risk Analysis Virtual Environment (RAVEN) and its dispatch optimization plugin, the Holistic Energy Resource Optimization Network (HERON). The signal processing and synthetic history capabilities of RAVEN were used to account for the unpredictable behavior of electricity markets. An autoregressive moving average (ARMA) model was used to analyze price signals from the Pennsylvania-New Jersey-Maryland (PJM) market and were applied to the HERON analysis in order to optimize a system with the best economics. Transient modeling evaluation was then performed using Modelica models within the HYBRID repository, which was developed at INL for the Department of Energy Integrated Energy Systems program for the characterization of dynamic integrated system behavior and feedback. This includes evaluation of the TES-coupled A-LWR systems’ impact on physical and thermal system response during imposed system demands. Additional TES-coupled reactor types, coupling approaches, markets, and TES technologies will be evaluated in future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

2022 GETEM Geothermal Drilling Cost Curve Update

The Geothermal Electricity Technology Evaluation Model (GETEM) is an essential tool for the U.S. Department of Energy's (DOE) Geothermal Technologies Office (GTO) to understand the performance and cost of technologies it is seeking to improve. This detailed model is used for supply curve analyses, assessing the current economic feasibility and levelized cost of energy (LCOE) of hydrothermal geothermal systems and enhanced geothermal systems (EGS), and evaluating the potential impact of advanced geothermal technologies. GETEM can be used to estimate the performance and costs of currently available U.S. geothermal power systems. It is also used to estimate the costs of technologies 5 to 20 years in the future, given the direction of potential research, development, and demonstration (RD&D) projects. The model is intended to help GTO determine which proposed RD&D programs and projects might offer the most efficient improvement when using taxpayer funding. The model requires annual updates as well as revisions to reflect the current state of the art. Drilling costs are a significant portion of total geothermal development costs. The current GETEM drilling cost inputs rely on drilling data from 2009 and require an updated analysis of more recent data to ensure they remain representative of current technologies. An updated, more accurate understanding of costs could help the geothermal industry secure project development financing and investment funding and better allow the oil and gas (O&G) industry (both operators and service companies) to weigh potential geothermal market participation and customization. This report details recent drilling improvements from the Utah Frontier Observatory for Research in Geothermal Energy (FORGE) and the O&G sector, comparing drilling performance and costs with values in GETEM, particularly the baseline drilling cost curves. Although drilling performance at FORGE has improved significantly, we did not find associated cost decreases that would justify lowering the GETEM baseline cost curves at this time.

API↗

CCQE-like $\nu_{e}$ Selection in SBND using Convolutional Visual Network

Neutrinos from the Booster Neutrino Beam (BNB) at Fermilab interact with argon in a Liquid Argon Time Projection Chamber (LArTPC) differently based on their flavour. By examining the particles produced in a charged-current interaction, both the interaction type and the neutrino flavour can be inferred. The Short Baseline Near Detector has the largest neutrino-argon cross section data to date, motivating in-depth studies of various cross-section channels and topologies. This project aims to select electron neutrino quasi-elastic-like (QE-like) interactions in SBND using Convolutional Visual Network (CVN) scores. The CVN is a neural network that processes visual information from an event and assigns scores corresponding to its likelihood of being each interaction type. An inclusive study of electron neutrino charged current interactions using CVN has already been conducted. This analysis aims to build on this study, further utilizing CVN scores to isolate electron neutrino QE-like interactions characterized by the presence of an electron and one or more protons ($N > 0$) in the final state. The project s goal is to contribute to the overall cross-section measurement efforts within the SBN program at Fermilab.

Breen, Genevieve [Mt. Holyoke Coll.]↗

Sister Rod Destructive Examinations (FY22) Appendix F2: Evaluation of Fuel Rod Fatigue During Spent Fuel Transportation

This report documents work performed under the Spent Fuel and Waste Disposition’s Spent Fuel and Waste Science and Technology program for the US Department of Energy (DOE) Office of Nuclear Energy (NE). This work was performed to fulfill Level 2 Milestone M2SF-23OR010201024, “FY22 Report on ORNL Sibling Rod Testing Results,” within work package SF-23OR01020102 and is an update to the work reported in M2SF-22OR010201047, M2SF-21OR010201032, M2SF-19ORO010201026, and M2SF- 19OR010201028. As a part of DOE NE High Burnup Spent Fuel Data Project, Oak Ridge National Laboratory (ORNL) is performing destructive examinations (DEs) of high burnup (HBU) (>45 GWd/MTU) spent nuclear fuel (SNF) rods from the North Anna Nuclear Power Station operated by Dominion Energy. The SNF rods, called sister rods or sibling rods, are all HBU and include four different kinds of fuel rod cladding: standard Zircaloy-4 (Zirc-4), low-tin (LT) Zirc-4, ZIRLO, and M5. The DEs are being conducted to obtain a baseline of the HBU rods’ condition before dry storage and are focused on understanding overall SNF rod strength and durability. Composite fuel and defueled cladding will be tested to derive material properties. Although the data generated can be used for multiple purposes, one primary goal for obtaining the post-irradiation examination data and the associated measured mechanical properties is to support SNF dry storage licensing and relicensing activities by (1) addressing identified knowledge gaps and (2) enhancing the technical basis for post-storage transportation, handling, and subsequent disposition. This appendix documents an evaluation of the fatigue data to enhance the technical basis for post-storage transportation, handling, and subsequent disposition and to identify future testing needs for Phase 2 of the project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Preliminary Analysis of Advanced Reactor Spent Nuclear Fuel Storage, Transportation, and Disposal

Due to increased interest in advanced reactor deployment and their associated potential new fuel cycles, the U.S. Department of Energy (DOE) Spent Fuel and Waste Science and Technology (SFWST) program has begun to evaluate the possible implications of long term management and final disposition of the spent nuclear fuel (SNF) generated. Safely managing and dispositioning this SNF, along with any other associated radioactive waste, is the primary focus of this initial preliminary assessment. This paper summarizes efforts to evaluate the characteristics and packaging options for three types of advanced reactor SNF forms: (1) tristructural isotropic (TRISO), (2) metallic, and (3) irradiated fuel salt presented in the report titled “Storage, Transportation, and Disposal of Advanced Reactor Spent Nuclear Fuel and High-Level Waste”. TRISO and metallic SNF and their associated waste streams were emphasized because of the near-term anticipated demonstrations of X-energy’s Xe-100 and TerraPower and GE Hitachi’s Natrium advanced reactors. Preliminary information on spent fuel salts discharged from molten-salt reactors (MSRs) was also examined to provide a baseline for future efforts. All calculations and assumptions were based on publicly available information. This paper identifies several different reactors that produce either TRISO or metallic SNF as well as a few of the reactor and fuel characteristics used for the assessments. Based on these characteristics, calculations were performed to determine the applicability of packaging SNF into existing canister designs. The evaluations included geometric (e.g., dimension, volume) and mass/weight considerations, known operational approaches and loading procedures, physical and chemical considerations/conditions for storage environments, and as-loaded radiation, thermal, and criticality analyses to identify constraints on storage, transportation, and disposal. Gaps in publicly available data pertaining to reactor operation and/or fuel composition provide increased uncertainty in some evaluations. Additionally, uncertainty in packaging and SNF management operations provide additional uncertainty. However, preliminary conclusions can still be assessed through this work and are presented in this paper.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Preparation and evaporation of Hanford Waste treatment plant direct feed low activity waste effluent management facility simulant

The Hanford Waste Treatment and Immobilization Plant (WTP) Low Activity Waste (LAW) vitrification facility will generate an aqueous condensate recycle stream (LAW Melter Off-Gas Condensate, LMOGC) from the off-gas system. The baseline plan for disposition of this stream during full WTP operations is to send it to the WTP Pretreatment Facility, where it will be blended with LAW, concentrated by evaporation, and recycled to the LAW vitrification facility. However, during the Direct Feed LAW (DFLAW) scenario, planned disposition of this stream involves concentrating the condensate in a new evaporator at the Effluent Management Facility (EMF) and returning it to the LAW melter. The LMOGC stream will contain components, e.g. halides and sulfates, that are volatile at melter temperatures, have limited solubility in glass waste forms, and present a material corrosion concern. Because this stream will recycle within WTP, these components are expected to accumulate in the LMOGC stream, exacerbating their impact on the number of LAW glass containers that must be produced. Diverting the stream reduces the halides and sulfates in the glass and is a key objective of this program. In order to determine the disposition path, it is key to experimentally determine the fate of contaminants. To do this, testing is needed to account for the buffering chemistry of the components, determine the achievable evaporation end point, identify insoluble solids that form, determine the formation and distribution of key regulatoryimpacting constituents, and generate an aqueous stream that can be used in testing of the subsequent immobilization step. This overall program examines the potential treatment and immobilization of the LMOGC stream to enable alternative disposal. The objective of this task was to (1) prepare a simulant of the LAW Melter Off-gas Condensate expected during DFLAW operations, (2) demonstrate evaporation in order to predict the final composition of the effluents from the EMF evaporator to aid in planning for their disposition, and (3) generate concentrated evaporator bottoms for use in immobilization testing.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Semi-Annual Report for Modular Integrated Gas High Temperature Reactor Development during Performance Period October 2021 - March 2022

Modular Integrated Gas High Temperature Reactor (MIGHTR) is being designed by a multidisciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed MIGHTR in 3 years and support its commercialization as a safe and low-cost HTGR. Argonne National Laboratory is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. Work performed by Argonne also includes the thermal hydraulics analysis of the primary heat transport system including reactor pressure vessel (RPV) internals for normal operation, shutdown, and accident conditions. This first semi-annual report summarizes the progress made at Argonne on the two tasks since the start of the project. For the RCCS design task, high-level design work was performed including identification of design requirements for the conceptual MIGHTR RCCS and initial design calculations. The baseline dimensions of the MIGHTR RCCS were derived from scoping analysis results and preliminary steady state performance was estimated. At the initial stage of the primary system analysis task, the primary system thermal fluids model for the MIGHTR core was outlined to use a simplified two-dimensional model to predict the temperature distribution and coolant pressure losses in the fuel assembly blocks.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Comparison of the Baseline USL Calculation Methods for Loosely-Coupled and Novel Neutronic Systems [Slides]

Current work includes reconstructing 187-group ENDF B/VII.1 covariance matrix for comparison study to 44-group ENDF B/VII.1 matrix to determine how covariance matrix structures affect the USL calculations and investigating the exact domination mechanism of region-wise sensitivities in a loosely-coupled system. Future work will involve seeking to understand how bias distributions change with reactivity and how to calculate propagate distribution error into USL calculations, as well as how cross section perturbation studies can be extended to other types of calculations, such as shielding calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Value of Regression Models in Determining Industrial Energy Savings

Determination of industrial facility energy savings is commonly undertaken to comply with legal requirements, meet sustainability goals, and quantify greenhouse gas emissions, cost savings, and as one way to demonstrate energy performance improvement per the requirements of an energy management system standard, such as ISO 50001. At their most basic level, energy savings are determined through a process of accounting for baseline and reporting period energy consumption followed by a calculation of energy savings as the difference in the levels of energy consumption between the two periods. The determination of industrial facility-wide energy savings can be undertaken in a wide variety of ways and in relation to energy performance improvement, energy savings can be expressed as any number of energy performance indicators (EnPIs). Energy savings values will vary depending upon if an absolute, intensity, or regression basis of calculation is selected for use. The use of one of the three basis of energy savings calculation will alter the relevance, meaning, and comparability of the resulting energy savings values To increase consistency in the determination of energy savings values, standards such as the International Performance Measurement and Verification Protocol (IPMVP), ISO 17747 – Determination of Energy Savings in Organization, and the U.S. Department of Energy (U.S. DOE) Superior Energy Performance (SEP) program Measurement and Verification Protocol (SEP M&V Protocol) have been published. Industrial facilities in the United States, Mexico, and Canada are certified to the U.S. DOE SEP program after becoming ISO 50001 certified and verification by a third party of calculated energy savings per the SEP M&V Protocol. This paper discusses some of the different meanings energy savings values will have when calculated by using the three different bases. Additionally, data from five SEP certified industrial facilities are used to calculate energy savings values using the three bases and compared as energy performance improvement percentage (EPI %) values. Discussion of why a large degree in variation in EPI % values are seen for any given set of data is provided. Ultimately, while each energy saving calculation basis has merit and can be used appropriately in its own context, the regression basis is shown to best translates energy savings values into contextualized energy performance improvement values by conveying comparable information regarding operational and behavioural improvements not otherwise observable with the absolute or intensity bases.

Therkelsen, Peter↗

PIP-II Project Overview and Status

The Proton Improvement Plan II (PIP-II) project is an essential upgrade to Fermilab’s particle accelerator complex to enable the world’s most intense neutrino beam for LBNF/DUNE and a broad particle physics program for many decades to come. PIP-II will deliver 1.2 MW of proton beam power from the Main Injector, upgradeable to multi-MW capability. The central element of PIP-II is an 800 MeV superconducting radio frequency (SRF) linac, which comprises a room temperature front end followed by an SRF section. The SRF section consists of five different flavors of cavities/cryomodules, including Half Wave Resonators (HWR), Single Spoke and elliptical resonators operating at, or above, state-of-the-art parameters. The first two PIP-II cryomodules, Half Wave Resonator (HWR) and Single Spoke Resonator 1 (SSR1) were installed in the PIP-II Injector Test facility (PIP2IT) and have accelerated beam to above 17 MeV. PIP-II is the first U.S. accelerator project that will be constructed with significant contributions from international partners, including India, Italy, France, United Kingdom and Poland. The project was baselined in April 2022, and the construction phase is underway.

43 PARTICLE ACCELERATORS↗

Phase Equilibria and Thermochemistry of Advanced Fuels: Modeling Burnup Behavior (Final Report)

Achieving the goal of developing advanced fuel concepts that meet the DOE objectives of being robust, demonstrating high performance, and are more tolerant of accident conditions than current fuel systems will require a thorough understanding of the thermophysical and thermochemical properties of the constituent materials. Non-oxide fuel systems are being explored under the Advanced Fuels Program that hold significant promise for improved performance and accident tolerance, including the uranium silicide-based system considered in the current work. Prospective cladding materials currently considered that contribute to improved accident tolerance include silicon carbide composites and ferritic alloys (Fe-Cr-Al base compositions). Thus, the effort developed thermochemical models and values, supported with targeted experiments, to evaluate the ferritic alloy and silicon carbide composite cladding systems in contrast to current zirconium alloy cladding. The developed detailed understanding will serve to aid in relatively early screening of candidate systems to avoid wasted effort, guide development of new fuel forms, and to provide a basis for predicting and modeling fuel performance. Major deliverables for the project included: Thermochemical assessment and models of phases in the U-Si and U-Si-N systems; thermochemical evaluation supported by experimental measurements of fuel-cladding interactions of silicide fuel with baseline zirconium, ceramic composite, and ferritic alloy cladding; thermochemical assessment and models of phases supported by experimental measurements for silicide fuel with key fission products provided in a dataset and reported in refereed publications. Within the project a significantly refined U-Si phase diagram was developed and reported that now includes homogeneity ranges for key phases, such at the U 3 Si 2 proposed fuel phase, and settles issues with regard to uncertainty in the stability of some phases. Computational efforts together with key experiments has determined phase formation in interactions between U 3 Si 2 and Zircaloy-4 cladding material, a ferritic FeCrAlY alloy of interest as an advanced cladding material, and silicon carbide, also of interest as a fiber-reinforced composite cladding. As expected, very significant reactions occur between U3Si2 and Zircaloy-4, with much less interaction at higher temperatures for the ferritic alloy, and finally interactions with SiC only in the region of contact. A potentially major issue is the stability of U 3 Si 2 fuel that has undergone significant burnup. The result is the loss of the uranium metal, liberating silicon, and the formation of concomitant fission product elements that either dissolve in the U 3 Si 2 phase or form independent, and possibly silicide phases. A combination of experimental determinations of phase formation of U 3 Si 2 reacted with representative fission products yttrium, gadolinium, cerium, zirconium, and molybdenum and first principles calculations has helped understand the fuel chemistry. The behavior of the U 3 Si 2 phase and the partitioning of silicon to possible fission product phases with burnup was thus determined, with significant dissolution in U 3 Si 2 of cerium, gadolinium, zirconium, and plutonium predicted along with independent phase formation of a U-Mo-Si ternary phase, yttrium silicide, and elemental selenium. It can be concluded that at significant burnup there will be a very minor amount of the U 3 Si 2 fuel phase that will decompose to a lower silicide or a uranium alloy as silicon preferentially forms a secondary phase.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Induced Magnetic Fields in LBNF Horns and DUNE-PRISM Off-Axis Neutrinos

Deep Underground Neutrino Experiment (DUNE) is a next-generation, long-baseline neutrino oscillation experiment that will utilize an intense neutrino beam from Fermilab to measure neutrino oscillation parameters with unprecedented precision. The DUNE-PRISM near detector concept employs an off-axis measurement strategy to mitigate neutrino-nucleus interaction uncertainties; however, this approach relies critically on the accurate characterization of the neutrino flux. As statistical uncertainties are suppressed in the high-intensity Long Baseline Neutrino Facility (LBNF) beam, beamline focusing uncertainties, specifically those arising from focusing horn geometry, become an important systematic uncertainty source. This work presents Geant4 LBNF beam simulations quantifying one of the most important systematic uncertainties for off-axis fluxes: the impact of manufacturing tolerances in the LBNF horns. The focusing horns consist of coaxial inner and outer conductors. Ideally, the region inside the inner conductor is field-free, while the region between the inner and outer conductors serves as the focusing region, where the magnetic field follows a nominal $1/r$ dependence. However, inner conductor deformations such as eccentricity and ellipticity introduce asymmetry, inducing unintended magnetic fields inside the field-free region. Crucially, while the on-axis neutrino flux remains largely unaffected by these induced fields, the resulting flux fractional shifts become pronounced over a particular range of off-axis positions where the DUNE-PRISM program will perform measurements. Consequently, these inner conductor deformations can impact the precision of flux predictions, which could potentially degrade the sensitivity to oscillation parameters. Possible mitigation strategies for these effects will also be presented.

Bae, Yuri [U. Minnesota, Minneapolis (main)] (ORCI↗

A Comparative Assessment of Economic Model Predictive Control Strategies for Fuel Economy Optimization of Heavy-Duty Trucks

This paper provides a comparative assessment of three control strategies that fuse a global, offline dynamic programming (DP) optimization with online model predictive control (MPC) in an effort to minimize fuel consumption for a heavy-duty truck. The online MPC optimization, which is local in nature, makes refinements to a coarsely (but globally, subject to grid resolution) optimized target velocity profile from the DP optimization. Three candidate economic MPC formulations are evaluated: a time-based formulation that directly penalizes predicted fuel consumption, a simplified time-based formulation that penalizes braking effort in place of fuel consumption, and a distance-based convex formulation that maintains a tradeoff between energy expenditure and tracking of the coarsely optimized velocity based on DP. The performance of each approach is presented for three representative route profiles, using a medium-fidelity proprietary Volvo model of the heavy-duty truck’s longitudinal dynamics. Results demonstrate 4-7% fuel economy improvement across all three formulations, when compared to a baseline strategy. Furthermore, we present a detailed analysis of energy usage by “type” (aerodynamic losses, braking losses, and comparison of brake-specific fuel consumption), under each candidate control approach.

33 ADVANCED PROPULSION SYSTEMS↗

Hanford site asbestos management lessons learned - 15183

The U.S. Department of Energy (DOE) is responsible for the environmental cleanup of the Hanford Site central plateau. As part of this responsibility, DOE contractors conduct deactivation, decommissioning, decontamination, and demolition (D4) of retired/inactive facilities, including very large chemical processing facilities. To date, DOE contractors have demolished hundreds of facilities, reducing baseline site maintenance costs and reducing the environmental threats and hazards that the degrading buildings present. Many of these Hanford facilities include asbestos-containing materials (as well as other hazardous components), which must be managed in compliance with applicable regulations and standards. In most cases, the facilities are demolished as Comprehensive Environmental Response, Compensation and Liability Act (CERCLA) removal or remedial actions. In an effort to streamline cleanup operations and to utilize site cleanup funding more efficiently, while still being protective of personnel and the environment, agreements were reached between the US Environmental Protection Agency (EPA) Hanford Project Office, the Washington Department of Ecology (Ecology), the Benton Clean Air Agency (BCAA) and the US Department of Energy Richland Operations Office (DOE-RL) on approaches to be utilized for demolition. One of these approaches would involve leaving cement asbestos board siding (e.g. transite), an EPA National Emissions Standards for Hazardous Air Pollutants (NESHAP) Category II non-friable asbestos-containing material, in place during demolition using heavy equipment, employing a set of controls that would maintain protection of personnel and the environment. This agreement was documented in a number of formal communications, including Notices of Intent issued as required by the asbestos NESHAP regulation, letters between the various agencies, CERCLA work plans, and the approved contractor baselines. A large number of buildings were demolished with transite siding in place, using the agreed upon controls and approaches. Personnel breathing zone and work area perimeter monitoring verified that the controls employed were protective in that there were no exceedances of permissible exposure limits during or after the demolition operations. EPA later reconsidered their previous concurrence with demolishing transite materials in place and issued a joint letter with Ecology revoking concurrence on any of the aforementioned CERCLA decision documents and associated work plans. DOE and their contractors took action to comply with the approach to demolition preferred by EPA for future demolitions, and initiated a series of actions to modify asbestos management practices in their operations accordingly. This paper will discuss both the actions taken to address EPA concerns with sites where transite materials were left in place for demolition and actions taken to ensure that the central plateau D4 program complies with the 40 CFR 61 Subpart M, National Emission Standard for Asbestos, (Asbestos NESHAP) methods for asbestos management. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

First Principles Nonadiabatic Excited-State Molecular Dynamics in NWChem

Computational simulation of non-adiabatic molecular dynamics is an indispensable tool for understanding complex photoinduced processes such as internal conversion, energy transfer, charge separation, and spatial localization of excitons, to name a few. Here, we report an implementation of the fewest-switches surface hopping algorithm in the NWChem computational chemistry program. Here the surface hopping method is combined with linear-response time-dependent density functional theory calculations of adiabatic excited state potential energy surfaces. To treat quantum transitions between arbitrary electronic Born{Oppenheimer states, we have implemented both numerical and analytical differentiation schemes for derivative non-adiabatic couplings. A numerical approach for the time-derivative non-adiabatic couplings together with an analytical method for calculating non-adiabatic coupling vectors is an efficient combination for surface hopping approaches. Additionally, electronic decoherence schemes and a state reassigned unavoided crossings algorithm are also implemented to improve the accuracy of the simulated dynamics and to handle trivial unavoided crossings. We apply our code to study the ultrafast decay of photoexcited benzene, including a detailed analysis of the potential energy surface, population decay time scales, and vibrational coordinates coupled to the excitation dynamics. The development presented in this work is a baseline for future implementations of more sophisticated frameworks for simulating of non-adiabatic molecular dynamics in NWChem.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comprehensive Compressor Calorimeter Testing of Lower-GWP Alternative Refrigerants for Heat Pump and Medium Temperature Refrigeration Applications

In response to environmental concerns raised by the use of refrigerants with high Global Warming Potential (GWP), the Air-Conditioning, Heating, and Refrigeration Institute (AHRI) has launched an industry-wide cooperative research program, referred to as the Low-GWP Alternative Refrigerants Evaluation Program (AREP), to identify and evaluate promising alternative refrigerants for major product categories. This paper reports one of the Oak Ridge National Laboratory (ORNL) contributions to AREP. It compares performance of alternative refrigerants to that of R-410A and R-404A for heat pump and medium temperature applications, respectively. The alternatives reported in this paper are: R-32, DR-5, and L-41a for R-410A and ARM-31a, D2Y-65, L-40, and a mixture of R-32 and R-134a for R-404A. All performance comparison tests were conducted using scroll compressors of ~1.85 tons (6.5 kW) cooling capacity. Tests were conducted over a range of combinations of saturation suction and saturation discharge temperatures for both compressors. The tests showed that, in general, energy efficiency ratio (EER) and cooling capacity of R-410A alternative refrigerants were slightly lower than that of the baseline refrigerant with a moderate increases in discharge temperature. On the other hand, R-404A alternative refrigerants showed relative performance dependence on saturation suction and saturation discharge temperatures and larger increases in discharge temperature than for the R-410A alternatives. This paper summarizes the relative performance of all alternative refrigerants compared to their respective baseline.

Alternative Refrigerants↗

Geophysical monitoring using active seismic techniques at the Citronelle Alabama CO 2 storage demonstration site

Between August 2012 and September 2014, about 114,000 metric tonnes of CO 2 was captured from the coal-fired Plant Barry Power Station at Bucks Alabama and injected into the Paluxy Formation above the oil pool in the southeast unit of the Citronelle Oilfield. Various monitoring methods were deployed at land surface and in project wells to measure system performance, comply with permit requirements and test new and innovative monitoring tools. The monitoring program relied heavily on active seismic methods for subsurface imaging of geologic structure and time-lapse seismic techniques to track the CO 2 migration in the injection interval. Both conventional geophone/hydrophone and fiber-optic based Distributed Acoustic Sensing (DAS) arrays were deployed and tested, allowing a side by side comparison of the equipment and techniques. Geophysical imaging of the subsurface was successful using DAS in the offset vertical seismic profile (OVSP) survey configuration. A high resolution OVSP image of the subsurface was obtained in 2014 with DAS, which exceeded project expectations in comparison to a lower resolution image obtained in 2012 using a conventional 80-level geophone array. A time-lapse image of the redistribution of CO 2 after injection ended in September 2014 was obtained with two DAS OVSP surveys from June 2014 and December 2015, thus successfully demonstrating its proof-of-concept. Unfortunately, a pre-injection baseline survey with DAS, which was in its initial stage of technology development in 2012, did not have sufficient quality for use, making it difficult to interpret the acquired DAS time-lapse difference. Additional research in this area has since demonstrated the utility of time-lapse DAS OVSP. DAS data were also acquired during a cross-well seismic survey conducted in 2014. Unfortunately, the DAS technique was not success in the cross-well survey configuration because the system noise level was too high in the crosswell frequency output range (100–1200 Hz) of the piezoelectric source (increasing by a factor of ten compared to VSP frequency band). Additionally, the cross-well geometry causes sub-horizontal (broadside) incidence on the vertical DAS fiber cable, which is known to be problematic. Current research is focused on improving the DAS cable response to broadside acoustic energy. Time-lapse seismic surveys using commercially available conventional arrays were also acquired. In contrast to the DAS acquired data, the cross-well seismic results obtained with the conventional array was highly successful and clearly showed the CO 2 remained in zone at the end of injection. Time-lapse differencing of the OSVP surveys acquired with the conventional arrays proved to be inconclusive. Finally, changes in wellbore conditions between surveys and unavoidable changes in equipment (the array used for the baseline survey was retired) affected data quality, making it difficult to interpret the OVSP results.

58 GEOSCIENCES↗