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At least 433 records · Page 24

Mechanisms of electromagnetic field control on mineral scaling in brackish water reverse osmosis: Combined homogenous and heterogeneous nucleation

Electromagnetic field (EMF) treatment has emerged as a promising approach for scaling control due to its cost-effectiveness, simplicity, and low energy consumption. However, there is a limited understanding of the mechanisms by which applied EMF impacts mineral scaling in reverse osmosis (RO) systems. This has led to inconclusive and varied results and uncertainties regarding its effectiveness. This study elucidates the impacts of EMF on homogenous and heterogeneous nucleation and membrane performance during RO desalination of different feedwaters. Our results reveal that EMF exhibits greater efficacy in treating near-saturated water (SI∼0), especially when coupled with extended hydraulic flushing (HF). For saturated brackish water desalination, heterogeneous scaling predominantly occurs on membrane surfaces, with the effectiveness of EMF in inhibiting scaling primarily attributed to the hydration effect. In supersaturated solutions, EMF promotes bulk precipitation due to the magnetohydrodynamic effect, quickly blocking membrane pores. Thus, when the saturation reaches a certain high level during RO desalination, magnetohydrodynamic EMF effects can accelerate flux decline caused by homogeneous scaling. In conclusion, this work provides an efficient method for predicting EMF efficiency, emphasizing the importance of saturation conditions and HF cleaning duration in determining membrane performance, suggesting these show promise for improving undersaturated or near-saturated feedwater desalination via RO.

42 ENGINEERING↗

Advancing Nuclear Energy to Support Economy-wide Net-zero Solutions: Challenges and Opportunities

Governments and private industry around the world have established aggressive goals to achieve net-zero emissions for the power, industrial, and transportation sectors by 2050. These aggressive goals demand immediate action if we are to be successful, and they require us to think more holistically about our clean energy options. Programs within the U.S. Department of Energy (DOE) are addressing these holistic solutions. Traditionally, electricity generation and management and meeting energy demands for industry and transportation are considered independently. As we seek to achieve net-zero, we need to reassess energy demands. When we consider overall energy use, only one-third is in the form of electricity. Additional energy demands are in the form of heat or steam for industrial processes, as well as transportation. These sectors are much harder to abate, and electrification may not be the best option. Reducing environmental emissions at an affordable cost, while maintaining grid reliability and resilience, will require us to use all of the clean energy resources that we have available. That means coordinating the use of nuclear, renewables, and fossil fuels with carbon capture to meet growing demands for electricity, industrial applications, and mobility. The DOE Office of Nuclear Energy (DOE-NE) program on Integrated Energy Systems (IES) is led by researchers at Idaho National Laboratory (INL) and work is conducted in partnership with an array of other DOE laboratories, industry, and academia. The primary focus of IES research is to assess the technical and economic potential of IES to enhance the flexibility and utilization of nuclear reactors working alongside renewable generators to meet an array of energy demands—thereby maximizing the utilization of clean energy resources across all energy sectors. Various energy applications and product streams beyond electricity are being evaluated, ranging from generation of potable water to production of hydrogen, fertilizers, synthetic fuels, and chemicals. The DOE-NE program additionally partners with the Hydrogen and Fuel Cell Technologies Office under the DOE Office of Energy Efficiency and Renewable Energy to jointly fund the development of analysis tools, technologies, and nuclear-integrated hydrogen demonstration projects. This presentation highlights the wide array of R&D being conducted across multiple DOE-funded programs to develop and deploy nuclear-based IES that will be key to achieving our net-zero goals. By working with key collaborators in the nuclear industry, analytical studies are now becoming a reality in demonstration projects. The presentation specifically focuses on motivations for the paradigm shift in how nuclear energy is deployed and used, opportunities for nuclear energy to support an array of non-electric application, integration options, computational tools and experimental systems to support evaluation and to accelerate deployment, and industry partnerships.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Sparsely Dispersed CeO x ‑Stabilized Pt Nanoparticles Overcome Pt Loading–Durability Trade-Off for Highly Durable Heavy-Duty Fuel Cells

Proton-exchange-membrane fuel cells (PEMFCs) are clean and sustainable mobile power sources for transportation. Recently, their deployment in heavy-duty vehicles (HDVs) has attracted growing interest owing to their high energy scalability and lower infrastructure requirements. However, to meet the stringent requirements for efficiency and long-term durability for HDV applications, PEMFCs typically employ a relatively high platinum group metal (PGM) loading (>0.2 mg PGM /cm 2 ). This elevated PGM loading significantly increases the stack and system costs, surpassing the U.S. Department of Energy (DOE) target of $\$ 60$/kW for commercial viability. Reducing PGM loading while maintaining performance and durability remains a central challenge for HDV fuel cells. Here we exploit metal oxide–Pt interactions and utilize the strong CeO x –Pt interaction to design a CeO x @Pt catalyst structure with exceptional durability. At a low total PGM loading (0.1 mg PGM /cm 2 ), the CeO x @Pt/C catalyst demonstrates high fuel cell performance (8.8 kW/g PGM ) and stability (power retention >90%) after the challenging HDV durability testing (90,000 accelerated-stress-test cycles). With the CeO x @Pt/C catalyst, we showcase over 70% reduction in Pt cost from the M2FCT target (to $\$ 9$/kW), highlighting its promising potential for enabling stable and cost-effective fuel cell systems for heavy-duty applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

AL-CRADA-2025-01 Final Report: American-Made Wind Turbine Materials Recycling Prize Accelerate! Phase 2

This report summarizes the Phase 2 achievements of the Wind Turbine Materials Recycling Prize project led by Critical Materials Recycling (CMR) in partnership with Ames National Laboratory. The team demonstrated the technical feasibility and economic viability of recovering and reusing rare-earth Nd-Fe-B magnets from end-of-life (EOL) wind turbine generators. Through mechanical disassembly, demagnetization, and precision processing, magnets were harvested and characterized to assess structural, compositional, and magnetic properties. Results showed that recovered magnets performed on par with commercial-grade counterparts, enabling their integration into actuator and motor prototypes without redesign. System-level modeling and finite-element simulations validated operational performance, while Life Cycle Cost (LCC) analysis revealed up to 20% material cost savings and 2–3% reductions in overall motor system costs. Life Cycle Assessment (LCA) further confirmed substantial environmental benefits, including a ~94% reduction in global warming potential relative to virgin magnet production. The project’s success was enabled by a tightly integrated partnership between industry and national lab experts, illustrating a viable path for domestic magnet-to-magnet recycling. These findings support a scalable, circular solution for rare-earth material recovery, reducing dependence on imported critical minerals and advancing sustainable clean energy technologies.

Lograsso, Thomas [Ames Laboratory (AMES), Ames, IA↗

High pressure rinse simulations for PIP-II SRF cavities

The implementation of High Pressure Rinse (HPR) not only ensures thorough cleaning of the inner high purity niobium surface of Superconducting Radio Frequency (SRF) cavities but also unlocks their full potential for achieving peak performance. By effectively removing contaminants and impurities, HPR sets the stage for enhanced superconducting properties, improved energy efficiency, and superior operational stability. A simulation tool has been developed, facilitating the accurate prediction of both the quality and effectiveness of the rinsing process before its execution in the cleanroom. This tool, the focus of this paper, stands as a pivotal advancement in optimizing Superconducting Radio Frequency (SRF) cavity preparation. Furthermore, our paper will also present correlations with cavity cold testing results, demonstrating the practical applicability and reliability of the simulation predictions in real-world scenarios.

43 PARTICLE ACCELERATORS↗

Effective Yukawa couplings and flavor-changing Higgs boson decays at linear colliders

We analyze the advantages of a linear-collider program for testing a recent theoretical proposal where the Higgs boson Yukawa couplings are radiatively generated, keeping unchanged the standard-model mechanism for electroweak-gauge-symmetry breaking. Fermion masses arise at a large energy scale through an unknown mechanism, and the standard model at the electroweak scale is regarded as an effective field theory. In this scenario, Higgs boson decays into photons and electroweak gauge-boson pairs are considerably enhanced for a light Higgs boson, which makes a signal observation at the LHC straightforward. On the other hand, the clean environment of a linear collider is required to directly probe the radiative fermionic sector of the Higgs boson couplings. Also, we show that the flavor-changing Higgs boson decays are dramatically enhanced with respect to the standard model. In particular, we find a measurable branching ratio in the range (10{sup -4}-10{sup -3}) for the decay H{yields}bs for a Higgs boson lighter than 140 GeV, depending on the high-energy scale where Yukawa couplings vanish. We present a detailed analysis of the Higgs boson production cross sections at linear colliders for interesting decay signatures, as well as branching-ratio correlations for different flavor-conserving/nonconserving fermionic decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Computational Capabilities for Predictions of Interactions at the Grain Boundary of Refractory Alloys

New high performance refractory alloys are critically required for improving efficiency and decreasing CO 2 emissions of fossil energy systems. The development of these materials remains slow because it is driven by a trial-and-error experimental approach and lacks a rational design approach. Atomistic Molecular Dynamic (MD) design has the potential to accelerate this development through the prediction of mechanical properties and corrosion resistance of new materials. The success of MD simulations depends critically on the fidelity of interatomic potentials. This project, in collaboration with Penn State, has focused on developing and validating high quality quantum mechanics based reactive potentials, ReaxFF, for Ni-Fe-Al-Cr-O-S system. A larger number of accurate density functional theory (DFT) calculations were performed to generate data for parameterizing the ReaxFF potentials. These potentials were then used in molecular dynamics (MD) and molecular dynamics-Monte Carlo (MD-MC) for much larger system to study for which DFT calculation would be prohibitively expensive, and to understand a number of chemical phenomena Ni-Fe-Al-Cr-O-S based alloy systems . These include catalytic oxidation of butane on clean Cr 2 O 3 and pyrite/Cr 2 O 3 , interfacial reaction between Cr 2 O 3 (refractory material) and Al 2 O 3 (slag), cohesive strength of at the grain boundary of S-enriched Cr compared to bulk Cr and Ssegregation study in Al, Al 2 O 3 , Cr and Cr 2 O 3 with a grain structure. The developed quantum based ReaxFF potential are available from the authors upon request. During this project, a number of papers were published in peer-reviewed journals. In addition, several conference presentations were made.

01 COAL, LIGNITE, AND PEAT↗

Computational Capabilities for Predictions of Interactions at the Grain Boundary of Refractory Alloys

New high performance refractory alloys are critically required for improving efficiency and decreasing CO 2 emissions of fossil energy systems. The development of these materials remains slow because it is driven by a trial-and-error experimental approach and lacks a rational design approach. Atomistic Molecular Dynamic (MD) design has the potential to accelerate this development through the prediction of mechanical properties and corrosion resistance of new materials. The success of MD simulations depends critically on the fidelity of interatomic potentials. This project, in collaboration with Penn State, has focused on developing and validating high quality quantum mechanics based reactive potentials, ReaxFF, for Ni-Fe-Al-Cr-O-S system. A larger number of accurate density functional theory (DFT) calculations were performed to generate data for parameterizing the ReaxFF potentials. These potentials were then used in molecular dynamics (MD) and molecular dynamics-Monte Carlo (MD-MC) for much larger system to study for which DFT calculation would be prohibitively expensive, and to understand a number of chemical phenomena Ni-Fe-Al-Cr-O-S based alloy systems . These include catalytic oxidation of butane on clean Cr 2 O 3 and pyrite/Cr 2 O 3 , interfacial reaction between Cr 2 O 3 (refractory material) and Al 2 O 3 (slag), cohesive strength of at the grain boundary of S-enriched Cr compared to bulk Cr and Ssegregation study in Al, Al 2 O 3 , Cr and Cr 2 O 3 with a grain structure. The developed quantum based ReaxFF potential are available from the authors upon request. During this project, a number of papers were published in peer-reviewed journals. In addition, several conference presentations were made.

36 MATERIALS SCIENCE↗

Longitudinal Wakefield Study in SLAC Rotatable Collimator Design for the LHC Phase II Upgrade

SLAC proposed a rotatable collimator design for the LHC Phase II collimation upgrade. There are 20 facet faces on each cylindrical jaw surface and two jaws are rotatable in order to introduce a clean surface in case of a beam hitting a jaw during operation. When the beam crosses the collimator, it will excite broad-band and narrow-band modes. The longitudinal modes can contribute to beam energy loss and power dissipation on the vacuum chamber wall. In this paper, the parallel finite element eigensolver Omega3P is used to search for all the longitudinal trapped modes in the SLAC collimator design. The power dissipation generated by the beam in collimators with different vacuum chamber and RF contact designs is discussed. It is found that a wider RF foil connecting the jaw and the vacuum flange can reduce efficiently the beam heating caused by the longitudinal modes.

43 PARTICLE ACCELERATORS↗

R&D Status for In-Situ Plasma Surface Cleaning of SRF Cavities at Spallation Neutron Source

The SNS SCL is reliably operating at 0.93 GeV output energy with an energy reserve of 10MeV with high availability. Most of the cavities exhibit field emission, which directly or indirectly (through heating of end groups) limits the gradients achievable in the high beta cavities in normal operation with the beam. One of the field emission sources would be surface contaminations during surface processing for which mild surface cleaning, if any, will help in reducing field emission. An R&D effort is in progress to develop in-situ surface processing for the cryomodules in the tunnel without disassembly. As the first attempt, in-situ plasma processing has been applied to the CM12 in the SNS SRF facility after the repair work with a promising result. This paper will report the R&D status of plasma processing in the SNS.

43 PARTICLE ACCELERATORS↗

Seeing the Light (LBNL Science at the Theater)

Berkeley Lab's Science at the Theater event "Seeing the Light" took place on Sept 12, 2011, at Berkeley Repertory's Roda Theatre. Learn how the Advanced Light Source is improving medicine, paving the way for clean energy, changing the future of computers, and much more. Featured speakers are Berkeley Lab's Roger Falcone, Rachel Segalman, Andrew Westphal, and Stanford University's Axel Brunger. Rachel Segalman: The future of clean energy technology relies on a better understanding of materials at the nanoscale. Berkeley Lab's Rachel Segalman uses the ALS to conduct this research, which could lead to improved photovoltaics and fuel cells. Axel Brunger: Improved treatment for human diseases hinges on understanding molecular-scale processes. Stanford University's Axel Brunger will discuss a new melanoma drug that was developed by a local company, Plexxikon, using the ALS for X-ray data collection. Andrew Westphal: What's comet dust made of? Andrew Westphal of UC Berkeley's Space Sciences Laboratory uses the ALS to study comet dust and interplanetary space dust collected by a NASA spacecraft. Moderated by Roger Falcone, Division Director of the Advanced Light Source

36 MATERIALS SCIENCE↗

High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions

Abstract Quantitative chemical reaction data, including activation energies and reaction rates, are crucial for developing detailed kinetic mechanisms and accurately predicting reaction outcomes. However, such data are often difficult to find, and high-quality datasets are especially rare. Here, we use CCSD(T)-F12a/cc-pVDZ-F12// ω B97X-D3/def2-TZVP to obtain high-quality single point calculations for nearly 22,000 unique stable species and transition states. We report the results from these quantum chemistry calculations and extract the barrier heights and reaction enthalpies to create a kinetics dataset of nearly 12,000 gas-phase reactions. These reactions involve H, C, N, and O, contain up to seven heavy atoms, and have cleaned atom-mapped SMILES. Our higher-accuracy coupled-cluster barrier heights differ significantly (RMSE of ∼5 kcal mol −1 ) relative to those calculated at ω B97X-D3/def2-TZVP. We also report accurate transition state theory rate coefficients $${k}_{\infty }(T)$$ k ∞ ( T ) between 300 K and 2000 K and the corresponding Arrhenius parameters for a subset of rigid reactions. We believe this data will accelerate development of automated and reliable methods for quantitative reaction prediction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Deep Vadose Zone-Applied Field Research Initiative Fiscal Year 2011 Annual Report

This annual report describes the background of the Deep Vadose Zone-Applied Field Research Initiative, and some of the programmatic approaches and transformational technologies in groundwater and deep vadose zone remediation developed during fiscal year 2011. The Department of Energy (DOE) Office of Technology Innovation and Development's (OTID) mission is to transform science into viable solutions for environmental cleanup. In 2010, OTID developed the Impact Plan, Science and Technology to Reduce the Life Cycle Cost of Closure to outline the benefits of research and development of the lifecycle cost of cleanup across the DOE complex. This plan outlines OTID's ability to reduce by $50 billion, the $200 billion life-cycle cost in waste processing, groundwater and soil, nuclear materials, and deactivation and decommissioning. The projected life-cycle costs and return on investment are based on actual savings realized from technology innovation, development, and insertion into remedial strategies and schedules at the Fernald, Mound, and Ashtabula sites. To achieve our goals, OTID developed Applied Field Research Initiatives to facilitate and accelerate collaborative development and implementation of new tools and approaches that reduce risk, cost and time for site closure. The primary mission of the Deep Vadose Zone-Applied Field Research Initiative (DVZ-AFRI) is to protect our nation's water resources, keeping them clean and safe for future generations. The DVZ-AFRI was established for the DOE to develop effective, science-based solutions for remediating, characterizing, monitoring, and predicting the behavior and fate of deep vadose zone contamination. Subsurface contaminants include radionuclides, metals, organics, and liquid waste that originated from various sources, including legacy waste from the nation's nuclear weapons complexes. The DVZ-AFRI project team is translating strategy into action by working to solve these complex challenges in a collaborative environment that leverages technology and scientific expertise from DOE, Pacific Northwest National Laboratory, CH2M HILL Plateau Remediation Company, and the broad scientific research community. As project manager for the DVZ-AFRI, I have had the privilege this past year to team with creative, talented members of the scientific community nationwide to develop effective long-term solutions to address deep vadose zone contamination. This report highlights how the DVZ-AFRI project team is delivering results by achieving significant programmatic accomplishments, and developing and field-testing transformational technologies to address the nation's most pressing groundwater and vadose zone contamination problems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Midwest Nuclear-based Net-Zero Carbon Steelmaking Demonstration

Globally, the iron and steel industry accounts for around a quarter of GHG emissions from the manufacturing sector , which is about 7% of the 33 gigatonnes (Gt) of global CO 2 emissions . Thus, globally, the steel industry is a 2-3 Gt CO 2 per year emissions challenge. The steel industry is important to the U.S. economy with output equal to $0.5 trillion and domestic production capacity is critical to national defense, infrastructure, energy production, and transportation. President Biden’s executive order on climate identifies actions and policies to put the Nation on a path to achieve net-zero carbon emissions, economy-wide, by no later than 2050. To achieve this, deep carbon reductions in the power, transportation, buildings and capital-intensive industrial manufacturing segments such as steel, cement and chemicals need to be addressed. In its recent “Accelerating Decarbonization of the U.S. Energy System” report , the National Academy of Sciences (NAS) stated that, “while technology exists to decarbonize all parts of the energy system, some sectors remain at precommercial or first-of-a-kind demonstration stages and require significant improvement in cost and performance to become commercially viable.” The NAS goes on to state that these hard to decarbonize sectors include “aviation, shipping, and industrial subsectors such as steel, cement, and chemicals manufacturing .” The Administration has proposed a timeline to decarbonize energy, transportation and then industry and manufacturing. From a life-cycle approach, decarbonizing steel and other large industrial inputs are necessary to decarbonize transformations in energy and transportation. DOE’s TRI-Lab Consortium’s Integrated Energy Systems (IES) program is a collaboration amongst DOE’s three applied energy laboratories: the National Energy Technology Laboratory; National Renewable Energy Laboratory and Idaho National Laboratory. The IES approach looks at more tightly integrating low-carbon nuclear energy, renewable electricity, energy storage, load/demand balancing, and biomass (including plastics and other wastes) with one or more industrial processes that utilize heat and/or power from these clean and waste energy sources to produce a low-carbon commodity-scale product.

08 HYDROGEN↗

Performance and Durability of Proton Exchange Membrane Vapor-Fed Unitized Regenerative Fuel Cells

With a growing demand for electricity, clean hydrogen production and usage can be an asset not only to mitigate emissions but for long-term energy storage as well. Hydrogen gas, a high-density energy carrier, can be made through electrolysis in charging mode and generate electricity via a fuel cell in discharging mode in a unitized regenerative fuel cell (URFC). While URFCs reduce cost by combining the charging and discharging modes into a singular device, switching between modes becomes burdensome, and water management is a major challenge. One way to mitigate these issues is to operate the entire system in the vapor phase. Vapor-phase operation simplifies the physics of the system but will introduce losses within the system, primarily ohmic and mass transport during the charging mode. In this study, we explore the performance of a Proton-Exchange-Membrane (PEM)-URFC under vapor-phase conditions and the impact of different PEMs, feed gases, and relative humidity on the performance and durability. By tailoring operating conditions and membrane, the vapor-URFC achieves a roundtrip efficiency of 42% and a lifetime of 50,000 accelerated stress test cycles for fully humidified feeds. Discussion of vapor-URFC for energy storage and extensions to look at various applications shows the promise of this technology.

25 ENERGY STORAGE↗

Tonopah Test Range Air Monitoring: CY2018 Meteorological, Radiological, and Wind Transported Particulate Observations

In 1963, the U.S. Department of Energy (DOE) (formerly the Atomic Energy Commission [AEC]), implemented Operation Roller Coaster on the Tonopah Test Range (TTR) and an adjacent area of the Nevada Test and Training Range (NTTR) (formerly the Nellis Air Force Range). This operation resulted in radionuclide-contaminated soils at the Double Tracks site and Clean Slate I, II, and III sites. This report documents observations made during ongoing monitoring of radiological, meteorological, and dust conditions at stations installed adjacent to the Clean Slate sites and at the TTR Sandia National Laboratories (SNL) Range Operations Center (ROC). The primary objective of the monitoring effort is to support the DOE Environmental Management Nevada Program (EM NV) in the safe remediation of the environmental legacy of nuclear device development and testing by determining if wind blowing across the Clean Slate sites is transporting particles of radionuclide-contaminated soil beyond the physical and administrative boundaries of the sites, and to provide information for designing long-term monitoring of the sites. The monitoring program in 2018 included five stations. Station 400, located within TTR Area 3 and near the ROC, monitors conditions near the local workforce center. Stations 401 and 403 are located on the northern and southeastern perimeter fence lines, respectively, of the Clean Slate III site. Stations 404 and 405 are along the northern and eastern boundary fence, respectively, at Clean Slate II. The stations are generally downwind of the contaminated areas during either northwesterly or southerly winds, which are the predominant wind directions. The stations—which are similar in design to the Community Environmental Monitoring Program (CEMP) stations operating at locations surrounding the Nevada National Security Site and TTR—include meteorological instruments and continuous-flow, low-volume air samplers. Three pressurized ionization chambers for measuring gamma energy are in use at Stations 400, 401, and 403. Saltation sensors and saltation traps are deployed at the stations adjacent to the Clean Slate sites. Detailed meteorological data are recorded on data loggers, with periodic uploads via a satellite system to the Western Regional Climate Center (WRCC) at Desert Research Institute (DRI), to monitor instrument and site conditions. Air filter samples are collected every two weeks and the deposits in the saltation traps are collected when a sufficient sample mass for analysis has accumulated (generally a six- to eight-month interval). Monitoring at TTR in calendar year (CY) 2018 provided surveillance of both ambient conditions, and ground disturbance associated with remediation activities at Clean Slate II and III. The first half of CY2018 data from Stations 404 and 405 at Clean Slate II were collected during remediation activities at that site, and data collected during the final third of the year at Stations 401 and 403 at Clean Slate III coincided with remediation work at the site. Ambient conditions prevailed at Station 400 throughout the year. Dust transport by suspension and saltation is strongly dependent on wind speed. Concentrations of PM 10 (particulate matter of aerodynamic diameter ≤10 micrometers [μm], a size fraction of small particles that are suspended in the air and can be easily inhaled) remain low until winds exceed approximately 32 kilometers per hour (km/hr) (20 miles per hour [mph]). Saltation particle counts also increase above the same general threshold wind speed. Wind speeds in excess of 32 km/hr (20 mph) occur less than three percent of the time at the sites. Ground disturbing remediation activities were carried out at Clean Slate II from October 31, 2017, until July 26, 2018. Station 404 is located closest to the remediation area and is downwind of the area when winds are from the south. By late November, analysis of dust from the air sampler at Station 404 registered increases in plutonium-239+240 ( 239+240 Pu) concentrations. Peak plutonium concentrations, accompanied by elevated gross alpha concentrations and the detection of americium-241 ( 241 Am) by gamma spectroscopy, occurred between March and May 2018. During spring and early summer of 2018, elevated radionuclide concentrations were also measured in dust collected from the air sampler at Station 405, which is more than twice the distance from the remediation activity as Station 404. A minor but sustained increase in gross alpha concentration of suspended dust collected at Stations 400, 401, and 403 was also observed starting in May 2018 and continuing into August. Stations 401 and 403 are approximately 4.8 to 6.4 km (three to four miles) from Clean Slate II and Station 400 is approximately 13 km (eight miles) from that site. The radionuclide content of material that saltated into the passive Big Spring Number Eight (BSNE) traps during the Clean Slate II remediation period increased in both the traps facing toward and away from the fenced contamination area at Station 404, with the largest increases in concentration (almost five times the previous 239+240 Pu concentration) observed in the traps facing the fenced area. The radionuclide concentration in material in the trap facing away from the fence more than doubled from that measured in 2017. A similar increase was observed for the saltation trap facing away from the fenced area at Station 405, although no increase was observed for material captured in the trap facing the fenced area. Particles ranging in size from 50 to 500 µm generally move by saltation processes and are not expected to significantly contribute to dose for someone breathing in the standard respiratory zone for adult humans (1.5 to 1.7 m [4.9 to 5.6 ft] above ground level) because they are too large to be entrained in the air as suspended dust. Remediation activities at Clean Slate III began on September 5, 2018, and continued until a brief hiatus started on December 20, 2018. Although Station 401 is much closer to the remediation area than Station 403, the first increase in gross alpha and 239+240 Pu concentrations was noted in dust from filters collected at Station 403 in early November 2018. The highest radionuclide concentrations of 2018 at the Clean Slate III stations were recorded in air samples taken from Stations 401 and 403 in late December 2018 and these concentrations were comparable between the two station locations. Gamma rate data measured by the PICs was slightly higher than the annual average at Stations 401 and 403 after remediation activities began, but no single measurement was outside of the range observed in 2018 prior to remediation activities. No increase in radionuclide concentration was observed for the Clean Slate III remediation time period on air filters collected from the other stations. Radiological monitoring at Station 400—which is located at the ROC, and therefore the closest regularly staffed work location to the Clean Slate sites—recorded a higher mean gross alpha activity from dust collected on air sampler filters than in previous years. The individual biweekly air filters yielded measurements of gross alpha that were at or below the mean plus one standard deviation measured in CY2017, except for the period from April 25, 2018, through September 12, 2018. Nonetheless, gamma spectroscopy of all air filters from Station 400 identified only naturally occurring radionuclides, with no detection of americium-241 ( 241 Am) (which is used as an indicator of plutonium-241[ 241 Pu]). Alpha spectroscopy of selected air filters collected at Station 400 did not detect plutonium-238 ( 238 Pu) or 239+240 Pu above the analytical detection limit. Gross beta and gamma exposure rate data were comparable to data from regional CEMP stations. No saltation traps are deployed at Station 400. Considering the ambient monitoring periods during CY2018, the monitoring stations adjacent to the Clean Slate sites recorded above-background 238 Pu and 239+240 Pu concentrations (SNL, 1998; Turner et al., 2003) in samples collected by passive saltation traps and on selected air filters. These observations were consistent with previous years and indicated that radionuclide movement occurred under ambient conditions by processes of both saltation and suspension. The presence of radionuclides in all saltation traps, both upwind and downwind of the fenced contamination areas, was consistent with previous radiological survey results (EG&G, 1979) that show lower concentration radiologically contaminated material dispersed outside the fenced area. Although 239+240 Pu concentrations in the air filter samples were sometimes orders of magnitude higher than background, the concentrations were below risk-based action levels defined for an industrial area worker scenario (U.S. DOE, 2014). The interception of airborne dust with above-background radionuclide concentrations demonstrates that dispersal processes are continuing. Strong winds are the driver for both suspension and saltation of dust and soil. The recorded wind speed and PM10 during remediation activities at Clean Slate II and III identified discrete wind events lasting approximately five to eight hours each, which accounted for the greatest PM 10 concentrations at the monitoring stations. These events captured the effect of winds from the northwest and from the south. The observed differences in dust loading and radionuclide concentrations for the monitoring stations when they were either upwind or downwind of the contamination area identify the remediation area as a source of plutonium contaminated dust. The increase in concentration of radionuclides in airborne dust during the remediation activities, compared with measurements under previous ambient conditions (mean 239+240 Pu concentrations during remediation activities are approximately nine to 40 times higher compared to pre-remediation concentrations, depending on monitoring station), highlights the impact of land disturbance on wind-borne contaminant transport from the Clean Slate test areas. The meteorological and particulate matter monitoring indicated that conditions for wind-borne contaminant movement exist at the Clean Slate sites, and that transport of radionuclide-contaminated soil by both suspension and saltation occurred under ambient conditions and accelerated when the sites were disturbed. The 239+240 Pu alpha spectroscopy results indicated that airborne concentrations during remediation activities ranged from 2 × 10-16 to 380 × 10-16 µCi/ml. These results can be compared to the derived air concentration limit for 239 Pu of 6 × 10-11 µCi/ml for occupational workers contained in Code of Federal Regulations 10 CFR 835, Occupational Radiation Protection. Even though the air sampling results document an increase in concentration during remediation activities, the observed concentrations are less than 0.06 percent of the occupational limit. The Corrective Action Unit (CAU) closure strategy uses a risk-based approach, whereby acceptable contaminant concentrations are determined as a function of anticipated human exposure.

54 ENVIRONMENTAL SCIENCES↗

Application of Machine Learning and Data Augmentation Algorithms in the Discovery of Metal Hydrides for Hydrogen Storage

The development of efficient and sustainable hydrogen storage materials is a key challenge for realizing hydrogen as a clean and flexible energy carrier. Among various options, metal hydrides offer high volumetric storage density and operational safety, yet their application is limited by thermodynamic, kinetic, and compositional constraints. In this work, we investigate the potential of machine learning (ML) to predict key thermodynamic properties—equilibrium plateau pressure, enthalpy, and entropy of hydride formation—based solely on alloy composition using Magpie-generated descriptors. We significantly expand an existing experimental dataset from ~400 to 806 entries and assess the impact of dataset size and data augmentation, using the PADRE algorithm, on model performance. Models including Support Vector Machines and Gradient Boosted Random Forests were trained and optimized via grid search and cross-validation. Results show a marked improvement in predictive accuracy with increased dataset size, while data augmentation benefits are limited to smaller datasets and do not improve accuracy in underrepresented pressure regimes. Furthermore, clustering and cross-validation analyses highlight the limited generalizability of models across different material classes, though high accuracy is achieved when training and testing within a single hydride family (e.g., AB2). The study demonstrates the viability and limitations of ML for accelerating hydride discovery, emphasizing the importance of dataset diversity and representation for robust property prediction.

augmentation↗

Tungsten oxide nanostructures and nanocomposites for photoelectrochemical water splitting

Hydrogen production from photoelectrochemical (PEC) water splitting using semiconductor photocatalysts has attracted great attention to realize clean and renewable energy from solar energy. The visible light response of WO 3 with a long hole diffusion length (~150 nm) and good electron mobility (~12 cm 2 V –1 s –1 ) makes it suitable as the photoanode. Yet, WO 3 suffers from issues including rapid recombination of photoexcited electron–hole pairs, photo-corrosion during the photocatalytic process due to the formation of peroxo-species, sluggish kinetics of photogenerated holes, and slow charge transfer at the semiconductor/electrolyte interface. Our report highlights the approaches to overcome these drawbacks of WO 3 photoanodes, including: (i) the manipulation of nanostructured WO 3 photoanodes to decrease the nanoparticle size to promote hole migration to the WO 3 /electrolyte interface which benefits the charge separation; (ii) doping or introducing oxygen vacancies to improve electrical conductivity; exposing high energy crystal surfaces to promote the consumption of photogenerated holes on the high-active crystal face, thereby suppressing the recombination of photogenerated electrons and holes; (iii) decorating with co-catalysts to reduce the overpotential which inhibits the formation of peroxo-species; (iv) other methods such as coupling with narrow band semiconductors to accelerate the charge separation and controlling the crystal phase via annealing to reduce defects. These methods are reviewed with detailed examples.

08 HYDROGEN↗