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DOE OSTI2025

Harnessing the Quantum Zeno Effect in superconducting qubits for particle detection

Superconducting qubits, originally developed for quantum computing, are emerging as a potentially powerful tool for detecting low-energy particle interactions, such as dark matter and neutrinos. These devices can register energy deposits as small as a few meV, dramatically lowering the detection threshold compared to conventional sensors. However, their deployment in rare-event searches is hampered by a critical and unresolved background: Two-Level Systems (TLSes). TLSes are material defects that can scramble qubit frequencies and coherence times in a way that resembles particle energy deposits. Such false signals can critically limit the sensitivity and extend experimental runtimes for qubit-based sensors by years. This talk introduces a novel method to eliminate TLSes as a background source in superconducting qubit-based detectors. By harnessing the Quantum Zeno Effect (QZE), a well-established quantum phenomenon where frequent observation inhibits system evolution, I will discuss the possibility of “freezing” these TLS defects in place. This effectively suppresses their interference, stabilizes qubit behavior, and opens the door to using TLSes themselves as auxiliary sensors. I have already identified target TLSes and observed early signs of QZE-like dynamics in Fermilab-fabricated devices. The method builds on my existing collaborations at Fermilab’s Quantum Information Testbed (QUIET), with access to low muon flux cryogenic facilities 100 meters underground, control electronics, and expert mentors across multiple institutions. By removing a key bottleneck to superconducting sensor deployment, this research targets advancing the development of a general-purpose technique to enhance sensitivity, reduce false positives, and accelerate discovery in searches for dark matter, neutrinos, and other rare phenomena.

Seidel, Olivia [Texas U., Arlington]↗

DOE OSTI2023

Design and Contruction of a Longitudinally Polarized Solid Nuclear Target for CLAS12

A new polarized nuclear target has been developed, constructed, and deployed at Jefferson Laboratory in Newport News, VA for use with the upgraded 12 GeV CEBAF (Continuous Electron Beam Accelerator Facility) accelerator and the Hall B CLAS12 (12 GeV CEBAF Large Acceptance Spectrometer) detector array. This ?APOLLO? (Ammonia PO-Larized LOngitudinally) target is a longitudinally polarized, solid ammonia, nuclear target which employs DNP (Dynamic Nuclear Polarization) to induce a net polarization in samples of protons (NH3) and deuterons (ND3) cooled to 1 K via helium evaporation, held in a 5 T polarizing field supplied by the CLAS12 spectrometer, and irradiated with 140 GHz microwave radiation. It was utilized in the RGC (Run Group C) experiment suite through a collaboration of the JLab Target Group, Old Dominion University, Christopher Newport University, the University of Virginia, and the CLAS Collaboration. RGC comprised six experiments which measured multiple spin-dependent observables across a wide kinematic phase space for use in nucleon spin studies. The dimensional constraints necessary for the incorporation of APOLLO into CLAS12, as well as the considerations necessary to utilize the CLAS12 solenoid, introduced unique challenges to the target design. This document presents the innovative solutions developed for these challenges including a novel material transport system, superconducting magnetic correction coils, and an all new bespoke NMR (Nuclear Magnetic Resonance) system. In addition to a detailed description of the complete target system and an initial report of the RGC experimental run, it will also present a study of Quark-Hadron Duality in the g1 spin structure function based on Hall B EG1b data and pQCD fits from the JAM (Jefferson Lab Angular Momentum) Collaboration.

Lagerquist, Victoria Lagerquist↗

DOE OSTI2026

Influence of Transition Metal Ion Contaminants on the Performance of Amine-Based Solid Sorbents in Direct Air Capture

Amine-functionalized solid sorbents are a class of sorbent materials proposed for direct air capture (DAC) of CO 2 , yet their long-term performance is susceptible to degradation under realistic operating conditions. Many amines are not thermodynamically stable in air, and amine sorbents oxidize while in use during DAC temperature swing adsorption processes. In this study, we investigate the role of transition metal ion contaminants, specifically Cu 2+ , Fe 2+ , and Ni 2+ , on the oxidative degradation of poly(ethylenimine) (PEI)-impregnated SBA-15 sorbents. By introducing metal ions via different modes mimicking both synthesis-related impurities and impurities derived from environmental exposure, we systematically evaluate sorbent stability after exposure to dry air at an elevated temperature. Thermogravimetric CO 2 uptake measurements reveal that even trace levels of Cu and Fe (as low as ∼4 ppm) can lead to measurable sorbent deactivation after oxidative aging, despite negligible loss in the performance of the control samples. In situ infrared, UV–vis, and X-ray photoelectron spectroscopies indicate that these metals catalyze radical-driven oxidation pathways, altering the chemical structure of the sorbent and accelerating degradation. Our findings underscore the need to account for trace metal contamination during DAC sorbent synthesis and deployment and highlight the importance of environmental contamination pathways.

CO2 capture↗

DOE OSTI2023

A Materials Perspective on Direct Recycling of Lithium-Ion Batteries: Principles, Challenges and Opportunities

As the dominant means of energy storage technology today, the widespread deployment of lithium-ion batteries (LIBs) would inevitably generate countless spent batteries at their end of life. From the perspectives of environmental protection and resource sustainability, recycling is a necessary strategy to manage end-of-life LIBs. Compared with traditional hydrometallurgical and pyrometallurgical recycling methods, the emerging direct recycling technology, rejuvenating spent electrode materials via a non-destructive way, has attracted rising attention due to its energy efficient processes along with increased economic return and reduced CO 2 footprint. This review investigates the state-of-the-art direct recycling technologies based on effective relithiation through solid-state, aqueous, eutectic solution and ionic liquid mediums and thoroughly discusses the underlying regeneration mechanism of each method regarding different battery chemistries. It is concluded that direct regeneration can be a more energy-efficient, cost-effective, and sustainable way to recycle spent LIBs compared with traditional approaches. Additionally, it is also identified that the direct recycling technology is still in its infancy with several fundamental and technological hurdles such as efficient separation, binder removal and electrolyte recovery. Finally, in addressing these remaining challenges, this review proposes an outlook on potential technical avenues to accelerate the development of direct recycling toward industrial applications.

25 ENERGY STORAGE↗

DOE OSTI2025

3D printing of architected sulfur cathodes with dual-site atomic catalysts for accelerated polysulfide kinetics and Li-ion transport in high areal-loading lithium–sulfur batteries

The practical deployment of lithium–sulfur batteries (LSBs) is hindered by fundamental limitations in conventional slurry-cast cathodes, including poor sulfur utilization, sluggish ion transport, and low areal capacity, particularly in thick electrodes required for high energy density. To address these challenges, we present direct ink writing (DIW) as an additive manufacturing strategy to fabricate advanced current-collector-free, 3D-printed sulfur cathodes (3DP S@CoNi-DSACs/NC) with hierarchically porous architectures that enhance lithium-ion diffusion, promote electrolyte penetration, and reduce interfacial resistance. The synergistic effects of Co/Ni dual-atom sites accelerate redox kinetics and mitigate polysulfide shuttling. As a result, the optimized 3DP cathode with a sulfur loading of 5.4 mg cm −2 demonstrated excellent rate capability, delivering a high reversible capacity of 1041.4 mAh g −1 at 1C with 85.5% capacity retention after 1000 cycles, significantly outperforming its cast counterpart. Remarkably, even at a higher sulfur loading of 8.1 mg cm −2 , the 3DP cathode maintains outstanding performance, achieving a discharge capacity of 1538.4 mAh g −1 and an areal capacity of 12.5 mAh cm −2 at 0.1C. This study not only demonstrates the functional integration of catalytically active materials into 3D printable sulfur cathode architectures but also offers a scalable and transformative platform for building high-performance LSBs beyond conventional electrode manufacturing methods.

3D electrode↗

DOE OSTI2016

Implementation of Enhanced Attenuation at the DOE Mound Site OU-1 Landfill: Accelerating Progress and Reducing Costs - 16270

A field demonstration of enhanced attenuation (EA) was initiated in 2014 to expedite the remediation of industrial solvents in the groundwater impacted by the former landfill Operable Unit 1 (OU-1) at the US Department of Energy (DOE) Mound, Ohio, Site. EA uses active engineering solutions to alter the target site so that the contaminant plume will passively stabilize and shrink. For OU-1, the EA was implemented by targeted injection of an electron donor (vegetable oil) to create 'structured geochemical zones'. Volatile organic compounds (VOCs) in the altered subsurface system encounter alternating anaerobic and aerobic environments along the plume flow path. The effect of these structured geochemical zones is effective and rapid degradation of parent compounds such as trichloroethene (TCE) and tetrachloroethene (PCE), and daughter compounds such as cis-1,2-dichloroethene and vinyl chloride. EA at Mound OU-1 provides a transition to natural attenuation and is an alternative to the baseline pump-and-treat (P and T) system. Industrial solvents (primarily TCE) and other VOCs that originated from the former solid-waste landfill contaminated the groundwater in the Buried Valley Aquifer beneath the Mound site. A groundwater P and T system was initiated in 1996 to control the plume, and a soil vapor extraction system was installed and operated from 1997 to 2003 to remove the bulk of the VOC sources from the vadose zone. Physical removal of the landfill waste and contaminated soil was performed between 2006 and 2010. Approximately 76,100 cubic meters (99,500 cubic yards) of material were removed from the OU-1 landfill area. Operation of the groundwater P and T system continued throughout this period. The principles and technical basis of the ongoing EA field demonstration were developed by the Interstate Technology and Regulatory Council. The goal of the EA implementation is to provide a bridge between active groundwater treatments and monitored natural attenuation. EA relies on understanding and manipulating the contaminant mass balance. Technologies are applied to sustainably reduce the contaminant loading from the source and/or increase the rate of natural attenuation processes within the plume. In 2014, a core team that included DOE, the US Environmental Protection Agency (EPA), the Ohio EPA, and technical support organizations evaluated remedial options for OU-1. During the 2014 evaluation, the team projected a cleanup time frame for the baseline P and T system of 26 additional years and a cleanup time frame for the EA remedy of 13 years. On the basis of that evaluation, EPA approved the implementation of the EA remedy that required the shutdown of the P and T system. The combination of technologies implemented for OU-1 EA included (a) neat vegetable oil in the vadose zone in the former landfill and (b) emulsified vegetable oil within the footprint of the groundwater plume. In the first part of the deployment, neat oil spreads laterally and forms a thin layer on the water table beneath residual soil sources to intercept and reduce future VOC loading and to reduce oxygen inputs to the local groundwater. In the second part of the deployment, emulsified oil forms active bioremediation anaerobic treatment zones within the plume footprint to degrade existing groundwater contaminants (via reductive dechlorination, co-metabolism, or both) and stimulates long-term attenuation capacity in the down-gradient aerobic plume (via co-metabolism). The results from the first year of the field demonstration indicate that the dissolved TCE and PCE plumes have decreased in size and mass. Statistical tests indicate that the VOC concentrations in the majority of the source-area wells are decreasing. The VOC concentrations throughout the plume are projected to be below the target maximum contaminant level of 2 to 5 μg/L within 5 to 10 years-sooner than the design projection of 13 years. The biogeochemistry and microbial community within the structured geochemical zones are consistent with the design and appear to be stable. At Mound OU-1, EA has accelerated progress toward the remedial action objectives and reduced costs. Ongoing monitoring will determine whether the EA remedy has transitioned the site into monitored natural attenuation status and whether the EA will continue to be effective, timely, and sustainable. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

Neutron and Photon Background Measurements at the Spallation Neutron Source Facility - Paper 67

The Spallation Neutron Source facility is a short-pulsed spallation source for condensed matter research using slow neutron scattering. Neutron beams with useful energies ranging from 0.1 meV to 10 eV are brought from a target-moderator-reflector assembly down neutron beamlines to scatter from a variety of materials under study. As of early 2014, SNS routinely provides 1.4 MW (time-averaged) proton power at around 940 MeV to a mercury spallation target at 60 Hz in sub-microsecond pulses. In nearly all cases, the pulsed nature of the neutron source is used, via time-of-flight techniques, to precisely identify the energy of each neutron detected. These neutrons are frequently of such low energy, and consequent slow velocity, that they are not detected until several additional accelerator pulses have taken place. A time-dependent background feature, commonly called the 'prompt pulse,' can contaminate the recorded data. This prompt pulse arises in part from fast and high-energy neutrons and photons produced during the various source reactions, and appears at the same apparent time as the proton pulse striking the target (that is, with negligible time-of-flight delay), often obscuring the data of interest in the individual experiment. We describe here measurements of the fast and high-energy neutron and photon background around the SNS neutron scattering instruments appearing in time with the SNS accelerator pulse structure. Our measurements to date indicate that the liquid scintillator array we have deployed can satisfactorily function in the SNS environment and provide neutron-photon discriminated time/energy spectra of background sources contribution to observed, problematic SNS scattering instrument backgrounds. We will continue measurements and analysis to provide unfolded neutron energy spectra, and through longitudinal studies correlate observed changes in those spectra to external changes at SNS. (authors)

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Feasible Actuator Range Modifier (FARM), a Tool Aiding the Solution of Unit Dispatch Problems for Advanced Energy Systems

Integrated energy systems (IESs) seek to minimize power generating costs in future power grids through the coupling of different energy technologies. To accommodate fluctuations in load demand due to the penetration of renewable energy sources, flexible operation capabilities must be fully exploited, and even power plants that are traditionally considered as base-load units need to be operated according to unconventional paradigms. Thermomechanical loads induced by frequent power adjustments can accelerate the wear and tear. If a unit is flexibly operated without respecting limits on materials, the risk of failures of expensive components will eventually increase, nullifying the additional profits ensured by flexible operation. In addition to the bounds on power variations (explicit constraints),the solution of the unit dispatch problem needs to meet the limits on the variation of key process variables, including temperature, pressure and flow rate (implicit constraints).The FARM (Feasible Actuator Range Modifier) module was developed to enable existing optimization algorithms to identify solutions to the unit dispatch problem that are both economically favorable and technologically sustainable. Thanks to the iterative dispatcher–validator scheme, FARM permits addressing all the imposed constraints without excessively increasing the computational costs. In this work, the algorithms constituting the module are described, and the performance was assessed by solving the unit dispatch problem for an IES composed of three units, i.e., balance of plant, gas turbine, and high-temperature steam electrolysis. Finally, the FARM module provides dedicated tools for visualizing the response of the constrained variables of interest during operational transients and a tool aiding the operator at making decisions. These techniques might represent the first step towards the deployment of an ecological interface design (EID) for IES units.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Photonuclear Physics in SCALE

Radiation shielding modeling involves a wide range of applications, such as power reactors, critical experiments, portable sources, linear accelerators, and fusion systems. Particle energy ranges vary from thermal energies to fast energy spectra. MAVRIC, as the radiation shielding sequence of the SCALE code system [1] developed and maintained by Oak Ridge National Laboratory, is capable of modeling both neutron and photon interactions in matter and is widely used by the US Nuclear Regulatory Commission, Department of Energy, the National Nuclear Security Administration, and radiation shielding practitioners all around the world. Although most applications don’t involve highly energetic photons that can cause photonuclear reactions and create coupled chains of high energy, ionized electrons and bremsstrahlung radiation within a material medium, when present, these reactions can have a significant impact upon the downstream particle fluxes from incident photons above 20 MeV. For example, linear accelerators used for medical isotope production are examples of applications in which high-energetic photons are generated and used for driving or controlling other components of a complex facility. Radiation shielding analyses of such a facility would require accounting for any and all significant sources of radiation. Unfortunately, MAVRIC included no data and methods to model either photonuclear reactions or the bremsstrahlung photons until this work, which enabled accounting for both. Photonuclear reaction cross sections were imported from the Evaluated Nuclear Data File libraries, and corresponding methods were implemented in the SCALE code system; see Section 2 for how the nuclear data are imported and used. Bremsstrahlung photons were modeled by assuming thick-target approximation whereby all generated electrons and positrons due to photon interactions are assumed to be absorbed within the same material in which they were born, yielding a quick particle transport simulation method by using fast lookup tables for generating subsequent gammas; see Section 4 for details. A suite of verification models was used to test implemented methods and associated data. Tests yielded satisfactory results for the new features. Enhancements will be released as part of the next major SCALE release (v7.0), which is anticipated to be deployed in 2025, with beta releases available in the interim.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Uncertainty Quantification of Fatigue Behavior of Rough AM Surfaces and Microstructures to Enable Hydrogen Gas Turbine Combustion

Modification of fossil-fueled industrial gas turbines to accept no/low carbon fuels (Hydrogen, H2/natural gas blends) is a significant undertaking. Successful deployment of this technology sits at the intersection of three design criteria (1) new functional fuel injectors that can burn these fuels, (2) manufacturability to meet cost and time-to-market targets, and (3) durability in the harsh environment of an operating turbine. Additive manufacturing (AM) provides accelerated product development. However, uncertainty remains around the durability of parts with rough AM surfaces. A fully experimental approach towards quantifying fatigue performance of rough AM microstructures is costly and laborious. Instead, Solar Turbines Incorporated (Solar) proposes the use of a crystal plasticity finite element (CPFE) model to quantify the factors that drive AM surface fatigue behavior. Solar will use the CPFE results, along with targeted experimental data, to train a computationally efficient surrogate model that can be incorporated into existing turbine part lifing methods.

08 HYDROGEN↗

DOE OSTI2021

Life cycle energy demand and carbon emissions of scalable single-junction and tandem perovskite PV

Perovskite photovoltaics reached record efficiencies in the laboratory and, if sustainably commercialized, they would accelerate a green energy transition. Here, this article presents the development of life-cycle inventory material and energy databases of most promising four single-junction and three tandem scalable perovskite systems with assumptions regarding scalable production validated by industry experts. We conducted comprehensive “ex ante” Life Cycle Analysis (LCA) and Net Energy Analysis, analyzing their cumulative energy demand, global warming potential profiles, energy payback times and energy return on investment (EROI). LCA contribution analysis elucidates the most impactful material and process choices. It shows that solution-based perovskite manufacturing would have lower environmental impact than vapor-based methods, and that roll-to-roll (RtR) printing offers the lowest impact. Among material choices, MoOx/Al has lower impact than Ag, and fluorine-tin-oxide lower than indium-tin-oxide. Furthermore, we compare perovskites with commercial crystalline-silicon and thin-film PV, accounting for the most recent developments in crystalline-Si wafer production and differences in life expectancies and efficiencies. It is shown that perovskite systems produced with RtR manufacturing could reach in only 12 years of life the same EROI as that of single-crystalline-Si PV lasting 30-years. This work lays a foundation for sustainability investigations of perovskite large-scale deployment.

14 SOLAR ENERGY↗

DOE OSTI2018

Concept of Operations: National Technology Test Bed Network for Water Resource Recovery

There is an urgency to advancing wastewater technologies due to aging water infrastructure and emerging regulations. A crosscutting working group proposes a conceptual design for a test bed network to understand and evaluate wastewater technologies to drive acceptance and deployment of new technologies to enhance performance. The working group includes contributors from the U.S. Department of Energy, the U.S. Environmental Protection Agency, the U.S. National Science Foundation, and the Water Research Foundation (formerly known as the Water Environment & Reuse Foundation). Upgrading today's aging wastewater treatment infrastructure to a new generation of water resource recovery facilities (WRRFs) requires the development and deployment of innovative technologies. The path to technology adoption depends on expensive, time consuming, and often repetitive cycles of testing and validation. Existing water resource recovery technology testing facilities (e.g., test beds) are underutilized and cannot, by themselves, broaden technology uptake. It has been proposed that technology adoption could be accelerated by a network linking these test facilities with innovators, manufacturers, utilities, regulators, policymakers, and educators. This document proposes a structure for a National Test bed Network (TBN) for water resource recovery. The concepts for its operation are explored herein. This document identifies drivers to launch a TBN and critical needs for successful implementation of the network. An important driver to technology implementation at WRRFs is the relationship between local utilities and state regulators. The TBN could provide access to validated performance data and facilitate deployment. To link the stakeholders and accelerate deployment, the TBN will require standards for methods, data quality, data management, and data security. These standards will enable validation of performance and will expand the “toolbox” that utilities and regulators could consider. Design, set up, and launch of this toolbox is beyond the scope of operations of utilities and regulators and will likely require external support to achieve full operation. Herein, a pathway is proposed to achieve this full operation. This document defines the function of a WRRF TBN. It also proposes a structure for the TBN to achieve its stated goals and mission. Finally, this document summarizes findings from several sources, including a series of workshops about the TBN concept, operators of test beds in ancillary industries, and discussions with regulators and permitting agencies. A description of this work was published in the peer-reviewed literature (Mihelcic 2017).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS2008

NASA Tech Briefs, December 2008

Topics covered include: Crew Activity Analyzer; Distributing Data to Hand-Held Devices in a Wireless Network; Reducing Surface Clutter in Cloud Profiling Radar Data; MODIS Atmospheric Data Handler; Multibeam Altimeter Navigation Update Using Faceted Shape Model; Spaceborne Hybrid-FPGA System for Processing FTIR Data; FPGA Coprocessor for Accelerated Classification of Images; SiC JFET Transistor Circuit Model for Extreme Temperature Range; TDR Using Autocorrelation and Varying-Duration Pulses; Update on Development of SiC Multi-Chip Power Modules; Radio Ranging System for Guidance of Approaching Spacecraft; Electromagnetically Clean Solar Arrays; Improved Short-Circuit Protection for Power Cells in Series; Electromagnetically Clean Solar Arrays; Logic Gates Made of N-Channel JFETs and Epitaxial Resistors; Improved Short-Circuit Protection for Power Cells in Series; Communication Limits Due to Photon-Detector Jitter; System for Removing Pollutants from Incinerator Exhaust; Sealing and External Sterilization of a Sample Container; Converting EOS Data from HDF-EOS to netCDF; HDF-EOS 2 and HDF-EOS 5 Compatibility Library; HDF-EOS Web Server; HDF-EOS 5 Validator; XML DTD and Schemas for HDF-EOS; Converting from XML to HDF-EOS; Simulating Attitudes and Trajectories of Multiple Spacecraft; Specialized Color Function for Display of Signed Data; Delivering Alert Messages to Members of a Work Force; Delivering Images for Mars Rover Science Planning; Oxide Fiber Cathode Materials for Rechargeable Lithium Cells; Electrocatalytic Reduction of Carbon Dioxide to Methane; Heterogeneous Superconducting Low-Noise Sensing Coils; Progress toward Making Epoxy/Carbon-Nanotube Composites; Predicting Properties of Unidirectional-Nanofiber Composites; Deployable Crew Quarters; Nonventing, Regenerable, Lightweight Heat Absorber; Miniature High-Force, Long-Stroke SMA Linear Actuators; "Bootstrap" Configuration for Multistage Pulse-Tube Coolers; Reducing Liquid Loss during Ullage Venting in Microgravity; Ka-Band Transponder for Deep-Space Radio Science; Replication of Space-Shuttle Computers in FPGAs and ASICs; Demisable Reaction-Wheel Assembly; Spatial and Temporal Low-Dimensional Models for Fluid Flow; Advanced Land Imager Assessment System; Range Imaging without Moving Parts.

Source record↗

DOE OSTI2017

Basic Research Needs for Catalysis Science to Transform Energy Technologies: Report from the U.S. Department of Energy, Office of Basic Energy Sciences Workshop May 8–10, 2017, in Gaithersburg, Maryland

Energy technologies affect virtually every aspect of life in modern societies—including transportation, utilities, agriculture, medicine, and the availability of a myriad of consumer products—and depend on human ability to accelerate and to guide chemical transformations. Controlling these transformations, which occur in the microscopic world of atoms and molecules, forms the basis of countless technologies such as production of fuels, fertilizers, plastics, pharmaceuticals and much more. At the very core of these chemical transformations are catalysts—specialized and often highly complex types of matter that allow chemical reactions to occur rapidly and produce specific products. Catalysts also have the remarkable ability to perform their tasks millions of times without themselves being consumed. The discovery of inexpensive and widely-deployable energy and chemical technologies, and their underpinning catalysis science, is critical to ensure the economic viability of U.S. energy and chemical industries. Over the past decade, remarkable new tools have been discovered that allow the observation of catalytic transformations in exquisite detail, and assembly of novel and elaborate catalytic architectures with atomic precision. Furthermore, increasingly sophisticated theoretical and computational tools allow understanding of the essential details of the catalytic processes, and this overall progress has led to the discovery of catalysts with superior performance and the associated economic benefit. In the next decade and beyond, science promises to revolutionize how catalysts and catalytic processes are designed, to enable the introduction of new energy resources, to provide routes to sustainable synthesis of chemicals and other valuable materials, and to create novel approaches to chemical energy storage. This report is the result of the Basic Energy Sciences Workshop on Basic Research Needs for Catalysis Science to Transform Energy Technologies that was held in May 2017, and was attended by more than 100 leading national and international scientific experts. The attendees were organized into four panels: 1. Diversified Energy Feedstocks and Carriers, 2. Novel Approaches to Energy Transformations, 3. Advanced Chemical Conversion Approaches, and 4. Crosscutting Capabilities and Challenges: Synthesis, Theory, and Characterization. The workshop identified five priority research directions (PRDs) that are aimed at harnessing complexity in catalysis to create next-generation energy technologies and realizing efficient catalytic processes to increase the diversity of resources for production of chemicals and energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Removal of High Specific Activity Fission Products from Uranyl Sulfate Waste Solutions

The Savannah River National Laboratory (SRNL) is currently providing support to SHINE Medical Technologies (SHINE) which plans to deploy a low energy, accelerator-based neutron source to fission low enriched U in a uranyl sulfate target solution for 99 Mo production. The 99 Mo is initially separated from the fission products and target solution by an extraction column. Subsequent washing of the column will generate waste solutions containing residual U and fission product activity. A small number of high specific activity fission products (e.g., 90 Sr, 137 Cs, and 144 Ce) in these streams will likely control the classification of the low level waste (LLW). If a sufficient amount of the high specific activity isotopes are separated from the SHINE waste streams and concentrated into a waste form, it would be possible to treat a majority of the wash solutions from the column operations as a lower class of LLW (Class A versus Class B or C or Class B versus Class C). The high specific activity fission product elements could then be dispositioned as a much smaller volume of waste rather than requiring the disposal of the entire waste stream at the higher waste classification. The Savannah River Site (SRS) has experience with using monosodium titanate (MST) and crystalline silicotitanate (CST) to remove Cs and Sr from high salt content waste solutions generated during the reprocessing of nuclear fuels and targets. Both of these materials have worked very well for their intended purposes at the SRS where the fission product elements are removed from highly alkaline waste. On the other hand, SHINE waste streams from the extraction column contain H 2 SO 4 which makes the solution acidic. Additionally, the SRS waste streams do not contain other fission product elements such as transition metals or lanthanides because they precipitate upon neutralization of the SRS waste and are not present in the supernate which is dispositioned as LLW following treatment. As such, there are inherent differences between SHINE and SRS waste treatment strategies. Savannah River National Laboratory was tasked with performing scoping studies to see if MST and CST would remove Sr, Cs, and Ce from an acidic mixed metal simulant solution. Batch contact experiments were performed using MST and two CST type materials. The MST material is a 15 wt % powder in 0.15 M NaOH slurry. The MST showed low adsorption for elements of interest from acidic solution. Furthermore, the powder size makes MST non-ideal for column operations. A CST IE-911 ion exchange material had high Cs adsorption, moderate Sr, and marginal Ce adsorption. Based on adsorption of all species, the ion exchange capacity was found to be 0.032 meq/mL. A bench-top column experiment to measure elemental breakthrough curves was performed using CST IE-911 where chromatographic separations of the mixed simulant were expected to occur. While most elements behaved as expected, the lanthanide series, containing Ce, broke though the column earlier than expected. The second CST material, CST R9120, displayed high adsorption for all elements in the acidic mixed simulant solutions in a batch contact study, and had a calculated loading capacity of 0.091 meq/mL. Future studies to develop a waste treatment flowsheet should focus on CST R9120 to treat SHINE waste solutions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Fuel Fabrication Capability Assessment in Support of Advanced Reactor Deployments

More than 30 U.S. companies are designing a variety of advanced reactor concepts, and several companies are planning to demonstrate their reactor designs in the mid-2020s to late 2030s time frame. In 2020, the U.S. Department of Energy (DOE) announced a series of awards under the Advanced Reactor Demonstration Program (ARDP) to accelerate the successful deployment of 10 of these reactors under three pathways. TerraPower and X-energy were awarded grants under the Advanced Reactor Demonstration Program to deploy their respective Natrium reactor and Xe-100 reactor designs in the next 7–10 years. These demonstrations are in addition to several parallel programs, including the U.S. Department of Defense’s (DoD’s) interest in the development of microreactors, and interest of the National Aeronautics and Space Administration in space nuclear power and propulsion. The National Reactor Innovation Center’s (NRIC’s) mission is to accelerate the demonstration and deployment of advanced reactors; NRIC is partnering with several reactor developers and harnessing the world-class capabilities of the U.S. National Laboratory system to deliver on its mission. Several of these reactor designs will require advanced fuel forms that are not commercially available today, including metal fuel, molten salt fuel, TRi-structural ISOtropic (TRISO) particle fuel, and uranium nitride fuel. Recognizing that there may be potential gaps in the laboratory-scale process development and pilot-scale first-of-a-kind (FOAK) production of these fuel forms leading to delivery of the FOAK cores, NRIC commissioned this study to look at the challenges that need to be overcome for successful deliveries, including the evaluation of existing facilities and the potential need for a new fuel fabrication facility.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing (AM): Expedited Powder Development and Additive Manufacturing Deployment in the Area of Aluminum Powder Alloys

The overall Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing (AM): Expedited Powder Development (“X-P4AM”) project objective is to drastically reduce the time-to-market barriers for new additive alloys of interest in automotive and aerospace applications, through computational alloy design with rapid screening and down- selection via synthesis of candidate alloys with rapid solidification. The project will also refine the technology in high pressure gas atomization to improve the production of commercial quantities of selected powders with high powder yields and enhanced powder quality. A new aluminum (Al) alloy based on high entropy composition, enhanced powder production, and optimized AM build parameterization provided a critical step in widespread adoption of AM technology for automotive applications, in this case. The individual backgrounds and capabilities of the Parties are ideally suited to the successful execution of this work. The included work enhanced the Contractors’ AM capabilities, a core competency of the Contractors, and develop a close working relationship with the Participant in the area of aluminum powder alloys and their end use.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Evaluating algorithmic bias on biomarker classification of breast cancer pathology reports

Objectives: This work evaluated algorithmic bias in biomarkers classification using electronic pathology reports from female breast cancer cases. Bias was assessed across 5 subgroups: cancer registry, race, Hispanic ethnicity, age at diagnosis, and socioeconomic status. Materials and Methods: We utilized 594 875 electronic pathology reports from 178 121 tumors diagnosed in Kentucky, Louisiana, New Jersey, New Mexico, Seattle, and Utah to train 2 deep-learning algorithms to classify breast cancer patients using their biomarkers test results. We used balanced error rate (BER), demographic parity (DP), equalized odds (EOD), and equal opportunity (EOP) to assess bias. Results: We found differences in predictive accuracy between registries, with the highest accuracy in the registry that contributed the most data (Seattle Registry, BER ratios for all registries >1.25). BER showed no significant algorithmic bias in extracting biomarkers (estrogen receptor, progesterone receptor, human epidermal growth factor receptor 2) for race, Hispanic ethnicity, age at diagnosis, or socioeconomic subgroups (BER ratio <1.25). DP, EOD, and EOP all showed insignificant results. Discussion: We observed significant differences in BER by registry, but no significant bias using the DP, EOD, and EOP metrics for socio-demographic or racial categories. This highlights the importance of employing a diverse set of metrics for a comprehensive evaluation of model fairness. Conclusion: A thorough evaluation of algorithmic biases that may affect equality in clinical care is a critical step before deploying algorithms in the real world. We found little evidence of algorithmic bias in our biomarker classification tool. Artificial intelligence tools to expedite information extraction from clinical records could accelerate clinical trial matching and improve care.

60 APPLIED LIFE SCIENCES↗