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At least 1,369 records · Page 76

Transformative Impacts of Laser-Induced Breakdown Spectroscopy on Environmental and Biological Research at Oak Ridge National Laboratory

This manuscript will present an advancement of transformative research that has been conducted at Oak Ridge National Laboratory (ORNL) over a 25-year period (2000–2025) on a variety of environmental and biological matrices. These investigations derived a fundamental understanding of how elemental detection and analysis of these matrices led to the knowledge and discovery of natural processes in plants and the environment. Each project led to the initiation of a new research area which unearthed awesome and novel breakthroughs. Highlights are listed below: 1. The preliminary research at ORNL centered on the detection of aerosols utilizing Laser-induced Breakdown Spectroscopy (LIBS) technology. The Clean Air Act Amendment (CAAA) of 1990 highlighted the importance of identifying hazardous air pollutants (HAPs) due to their impact on environmental and human health, thereby underscoring the need to detect various toxic elements. Research in aerosol chemistry aimed to identify these harmful elements released by factories during periods of increased emissions in their manufacturing processes. LIBS emerged as the most effective method for real-time, in situ measurements of metal species in both gaseous and aerosol phases. 2. An understanding of the presence of total carbon in soils gives perspective on how to develop carbon sequestration strategies. The recognition that carbon sinks can evolve back to carbon sources to emit back to the atmosphere was an important consideration. Also, the concentration of carbon in soil indicates the health of land areas for growing crops successfully. 3. The direct detection of most of the elements in a wood sample in a single emission spectrum, without sample preparation, encouraged the research to use the LIBS technique for preservative treated wood coupled with use of multivariate statistical methodology. Additionally, it encouraged the researchers to try to differentiate natural woods from different parts of the country, and it was successfully demonstrated that LIBS coupled with MVA analysis could differentiate wood of different species from each other and of similar species grown in different environments based on their elemental spectra. This was a breakthrough since it revealed a systematic approach to connect elemental scarcity and abundance to either drought or typical rainfall conditions for the hardwood trees grown in specific areas. 4. Furthermore, the research progressed to reveal physiological and developmental processes contributing to biomass production such that the variation in leaf elemental composition increases our understanding of terrestrial nutrient cycles, as well as tracking the transfer of toxic elements from soils to living organisms. 5. Recently another breakthrough viz., ionomics initiated the correlation of elements to specific genes, uncovering the function that the element performed in the plant. More recently, this has been extended from plants to fungi as well as fungi growing in symbiotic relations with plants.

09 BIOMASS FUELS↗

Scalable and Quench-Free Processing of Metal Halide Perovskites in Ambient Conditions

With the rise of global warming and the growing energy crisis, scientists have pivoted from typical resources to look for new materials and technologies. Perovskite materials hold the potential for making high-efficiency, low-cost solar cells through solution processing of Earth-abundant materials; however, scalability, stability, and durability remain key challenges. In order to transition from small-scale processing in inert environments to higher throughput processing in ambient conditions, the fundamentals of perovskite crystallization must be understood. Classical nucleation theory, the LaMer relation, and nonclassical crystallization considerations are discussed to provide a mechanism by which a gellan gum (GG) additive—a nontoxic polymeric saccharide—has enabled researchers to produce quality halide perovskite thin-film blade coated in ambient conditions without a quench step. Furthermore, we report on the improved stability and durability properties inherent to these films, which feature improved morphologies and optoelectronic properties compared to films spin-coated in a glovebox with antisolvent. We tune the amount of GG in the perovskite precursor and study the interplay between GG concentration and processability, morphological control, and increased stability under humidity, heat, and mechanical testing. The simplicity of this approach and insensitivity to environmental conditions enable a wide process window for the production of low-defect, mechanically robust, and operationally stable perovskites with fracture energies among the highest obtained for perovskites.

14 SOLAR ENERGY↗

Direct Recycling R&D at the ReCell Center

The expected rapid growth in electric vehicle deployment will inevitably be followed by a corresponding rise in the supply of end-of-life vehicles and their lithium-ion batteries (LIBs). The batteries may be reused, but will eventually be spent and provide a potential domestic resource that can help supply materials for future battery production. However, commercial recycling processes depend on profits from recovery of cobalt, use of which is being reduced in new cathode chemistries. The U.S. Department of Energy, therefore, established the ReCell Center in early 2019 to develop robust LIB recycling technology that would be economical even for batteries that contain no cobalt. The central feature of the technology is recovery of the cathode material with its unique crystalline cathode morphology intact in order to retain its value and functionality. Other materials are recovered as well in order to maximize revenues and minimize waste-handling costs. Analysis and modeling serve to evaluate and compare process options so that we can identify those that will be most economical while still minimizing energy use and environmental impacts. This paper provides background and describes highlights of the center’s first 2 years of operation.

Gaines, Linda (ORCID:0000000237263387)↗

A Synthetic Pathway for Producing Carbon Dots for Detecting Iron Ions Using a Fiber Optic Spectrometer

Iron detection is of growing importance in the critical minerals sector, where unwanted iron ions are typically removed during the processing of target critical metals. The ideal sensor should utilize inexpensive, scalable materials along with a low-cost, robust, and easy-to-use analysis platform. Here, we demonstrate a simple acid–base synthesis of luminescent iron-responsive carbon dots by reacting ethanolamine, phosphoric acid, and m-phenylenediamine. The carbon dots exhibit selective, iron-specific emission quenching, with the ability to detect part-per-billion levels of iron ions even in 0.1 M HCl. After benchmarking the purified materials using a commercial spectrometer, a “low-cost” process is demonstrated in which carbon dots with minimal purification are coupled with a portable fiber-optic spectrometer for analyzing iron content. Carbon dot-coated paper strips are also evaluated as another convenient platform for iron analysis. Taken together, the sensing material and platforms demonstrated here are well-suited for detecting trace quantities of iron in environmentally relevant conditions, with potential applications in tracking iron removal processes during critical mineral production as one exciting area of interest.

acid mine draining↗

Contribution of Secondary Neutrinos from Line-of-sight Cosmic-Ray Interactions to the IceCube Diffuse Astrophysical Flux

In 10 years of observations, the IceCube neutrino observatory has revealed a neutrino sky in tension with previous expectations for neutrino point-source emissions. Astrophysical objects associated with hadronic processes might act as production sites for neutrinos, observed as point sources at Earth. Instead, a nearly isotropic flux of astrophysical neutrinos is observed up to PeV energies, prompting a reassessment of the assumed transport and production physics. This work applies a new physical explanation for neutrino production from populations of active galactic nuclei and starburst galaxies to three years of public IceCube point-source data. Specifically, cosmic rays produced at such sources might interact with extragalactic background light and gas along the line of sight, generating a secondary neutrino flux. Furthermore, this model is tested alongside a number of typical flux weighting schemes, in all cases the all-sky flux contribution being constrained to percent levels of the reported IceCube diffuse astrophysical flux.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Cleaning and dewatering fine coal

Fine coal is cleaned of its mineral matter impurities and dewatered by mixing the aqueous slurry containing both with a hydrophobic liquid, subjecting the mixture to a phase separation. The resulting hydrophobic liquid phase contains coal particles free of surface moisture and droplets of water stabilized by coal particles, while the aqueous phase contains the mineral matter. By separating the entrained water droplets from the coal particles mechanically, a clean coal product of substantially reduced mineral matter and moisture contents is obtained. The spent hydrophobic liquid is separated from the clean coal product and recycled. The process can also be used to separate one type of hydrophilic particles from another by selectively hydrophobizing one.

01 COAL, LIGNITE, AND PEAT↗

Hail tower for gas-vapor separations

A device and process for removing vapors from a gas is disclosed. A tower is provided. Sub-cooled pellets are distributed by the solids distributor across a horizontal cross-section of the tower. A process gas, comprising a product vapor, passes through the gas inlet. The product vapor and the sub-cooled pellets comprise the same material. The product vapor and the sub-cooled pellets agglomerate as the product vapor desublimates onto the sub-cooled pellets, forming product pellets and a vapor-depleted gas. A crushing device, a screening device, and a solids heat exchanger are provided. A portion of the product pellets are recycled as sub-cooled pellets to the solids distributor by crushing and screening the portion of the product pellets to the size distribution of the sub-cooled pellets and cooling the portion of the product pellets to produce the sub-cooled pellets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

BETO 2021 Peer Review - Biochemical Process Modeling and Simulation (BPMS)

The Biochemical Process Modeling and Simulation project aims to reduce the cost and time of research by applying theory, modeling, and simulation to the most relevant bottlenecks in the biochemical process. We use molecular modeling, quantum mechanics, metabolic modeling, fluid dynamics, and reaction-diffusion methods in close collaboration with pretreatment, hydrolysis, upgrading, and TEA. The project's outcomes are increased yields and efficiency of the biochemical process, added value to products, and reduced price of fuels by specifically targeting catalytic efficiency, reactor design, enzyme efficiency, and microbial design.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Removal of water vapor from streams containing carbon dioxide and/or carbon monoxide

Methods and systems for removing water vapor from a feed gas prior to further processing the feed gas according to a downstream PSA process are described. The feed gas can include CO2 and/or CO and/or H2 and the PSA process can be used to separate components of the feed gas from one another, for instance, for CO2 capture. Light product off of the PSA process is utilized to regenerate desiccant of a dryer used in the water vapor removal process that is carried out prior to the feed gas entering the PSA process. The water vapor removal process can be heated by providing thermal energy directly to the dryer and/or to a regenerating stream that regenerates the desiccant of the dryer. The thermal energy can be low cost energy—for instance, waste heat off of a system that provides the feed gas.

Ritter, James A.↗

System Modeling of the HTTR and Economic Dispatch Model of the Secondary System

High Temperature Gas-cooled Reactors (HTGRs) can be used for the generation of electricity and their process heat can be used to improve the efficiency of chemical processes such as hydrogen production. The JAEA-operated High-Temperature engineering Test Reactor (HTTR-GT/H2) is exploring using the reactor for electricity and hydrogen production. A RELAP5-3D model of the HTTR-GT/H2 secondary system has been developed using design information. The various components and heat exchangers in the secondary system were modeled and results were compared to the design conditions. The results for the sole-power generation mode were shown to fit the design conditions very well. The largest temperature difference was on the order of 7 K, and the largest pressure difference was on the order of 0.05 MPa. The results for the hydrogen cogeneration mode did not match the design conditions nearly as well. The largest temperature difference was about 39 K and the largest pressure difference was about 0.27 MPa at the compressor outlet. The larger differences for the hydrogen cogeneration mode are attributed to the various complex components and the flow being split in the secondary loop. A transient reduction in heat removal capability of the secondary system was investigated. Reactor temperatures are anticipated to rise as a result. The core reactivity response due to this increase in temperature is investigated and is expected to add negative reactivity to the reactor. An economic dispatch model was developed for a nuclear-driven iodine-sulfur cycle system to determine hydrogen sale prices that would make such a system profitable. The study focuses on the development of the economic model and the role that input data plays on final calculated values. It was found that the input electricity prices, whether using historical data or a host of synthetic time histories, produce significantly different breakeven hydrogen sale prices. As such, great care should be used in these economic dispatch analyses to select reasonable input assumptions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Accomplishments and Year-End Performance Report; Wind Energy Program: Fiscal Year 2021

The National Wind Technology Center (NWTC), located at the U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL) Flatirons Campus, has been a driving force in advancing wind energy technology research worldwide since its designation as a DOE national research center in 1992. Enabled by the Flatirons Campus's world-class facilities, scientists, engineers, analysts, and researchers are pushing the frontiers of science to pursue wind energy innovation. In Fiscal Year (FY) 2021, NREL continued to provide the technical expertise, research capabilities, and industry understanding to support DOE's ambitious climate action and research goals by advancing technology, addressing market and deployment barriers, and driving down costs with more efficient, reliable, and predictable wind energy systems. One of several highlights, NREL received an R&D 100 Special Recognition Award for its Thermoplastic Resin System for Wind Turbine Blades. This breakthrough in the wind turbine manufacturing process will enable the production of recyclable blades that are stronger, longer, and less expensive, while increasing energy capture, decreasing energy and transportation costs, and increasing blade reliability. In a year when the entire U.S. economy struggled to address workforce gaps, an NREL study compared wind industry needs, training programs, and hiring practices with perspectives from students and recent college graduates. Researchers hope that, by pinpointing areas of disconnect, the expectations of employers who have difficulty filling entry-level jobs can better align with the preparation of the potential applicants who find it hard to break into the field. The lab also made numerous new data and modeling resources available in FY 2021. Recent NREL releases include a modeling tool for predicting the power performance and structural loads of wind turbines within a wind farm (FAST.Farm), a computational framework for modeling golden eagle behavior near wind farms, and 20 years of offshore wind data. Updates were also made to the widely used Wind Plant Integrated Systems Design and Engineering Model (WISDEM), which couples engineering and cost models to examine system-level trade-offs. Now, bolstered by a renewed national commitment to tackle climate change and revitalize the U.S. economy through increased investment in clean energy - particularly in offshore wind energy - NREL stands poised to lead the way to a sustainable future that powers the United States with significant levels of reliable, low-cost, accessible wind energy. This report provides an overview of the achievements NREL made on behalf of DOE's Wind Energy Technologies Office (WETO) and other partners during FY 2021 (between Oct. 1, 2020, and Sept. 30, 2021).

Flatirons Campus↗

Deep Dive Topic: Analysis

This section focuses on analysis of I/O behavior and the feedback resulting from that analysis. We define analysis of I/O behavior as interpreting and deriving meaning from I/O instrumentation data. We define feedback as the product of the analysis process. Feedback can be thought of as the link between analysis and the subsequent response to that analysis, such as I/O tuning or policy decisions (see Section 4.4).Analysis and feedback may be consumed by either human stakeholders or machine algorithms. If it is to be consumed by human stakeholders, then the analysis process will likely emphasize understandable language and visualization techniques. If it is to be consumed by machine algorithms, then it will likely emphasize the use of machine-parsable, consistent formats that are suitable for ingestion by policy engines and data-mining tools.

Snyder, Shane↗

DUNE Software and High Performance Computing

DUNE, like other HEP experiments, faces a challenge related to matching execution patterns of our production simulation and data processing software to the limitations imposed by modern high-performance computing facilities. In order to efficiently exploit these new architectures, particularly those with high CPU core counts and GPU accelerators, our existing software execution models require adaptation. In addition, the large size of individual units of raw data from the far detector modules pose an additional challenge somewhat unique to DUNE. Here we describe some of these problems and how we begin to solve them today with existing software frameworks and toolkits. We also describe ways we may leverage these existing software architectures to attack remaining problems going forward. This whitepaper is a contribution to the Computational Frontier of Snowmass21.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Elevated-Temperature Cyclic Properties of Powder Metallurgy-Hot Isostatic Pressed 316H and 316L Stainless Steel

Section III, Division 5 of the American Society of Mechanical Engineers Boiler and Pressure Vessel Code covers construction rules for elevated-temperature nuclear components. Microreactor developers have expressed a need for advanced manufacturing processes to fabricate microreactor components to reduce manufacturing costs. Components fabricated using manufacturing processes other than conventional techniques are not currently qualified in Section III, Division 5. An expeditious approach to qualifying an advanced manufacturing process for alloys whose wrought-product form is already qualified in Division 5 is to demonstrate the resultant properties from the advanced manufacturing process are equivalent or superior to the wrought-product form. Powder metallurgy-hot isostatic pressing (PM-HIP) is a mature technology that offers many advantages that are attractive to the microreactor industry. Preliminary data show that the elevated-temperature creep-fatigue properties of PM-HIP 316H stainless steel (SS) are reduced compared to the Wrought 316H SS, which is qualified in Section III, Division 5. Work is ongoing to identify the mechanisms responsible for the reduced creep-fatigue properties and to establish acceptance criteria to confirm the adequacy of the component for service.

316H stainless steel↗

High-Fidelity Arc-Discharge Model for Hydrogen-Plasma-Smelting-Reduction of Iron Ore

Electrification and use of renewable hydrogen is currently a necessity for decarbonizing the iron-and-steel industry. In this regard, hydrogen plasma smelting reduction (HPSR) is a novel pathway that is being explored for reduction of iron ore. HPSR provides several decarbonization merits compared to conventional blast furnaces. Firstly, the use of renewable hydrogen drastically reduces the CO2 emissions compared to the use of coke. Secondly, renewable electricity in the form of a thermal plasma for making reactive hydrogen species (radicals, ions) are more efficient at reducing iron ore compared to neutral H2. Thirdly, a molten product compatible with downstream processes is obtained from the intense heat transfer from the plasma. However, the scale-up of this technology requires fundamental exploration of hydrogen plasma dynamics and its interaction with complex solid material that include phase changing iron-ore and slag. In this work, we present a first principles continuum scale model for thermal plasmas in Ar/H2 gas mixtures typically used for HPSR. The thermal plasma governing equations for mass, momentum and energy with Lorentz force and Joule heating source terms are solved along with electromagnetic equations for electrostatic and magnetic vector potential. Our solver will be based on Pele, a suite of reacting flow solvers designed for advanced scientific computing architectures (Henry De Frahan et al., Proceedings of SIAM Parallel Processing, 13-25, 2024), and will utilize adaptive mesh generation for enhanced resolutions at locations of intense physicochemical interactions. This study will present the impact of Ar to H2 ratios on excited/dissociated hydrogen species concentrations, plasma temperature and conductivity along with the impact of outgassed species (water, metal vapor, O, OH radicals) from ore surface on gas phase chemistry. Furthermore, the heat and species flux to the surface will be quantified as a function of applied voltages in a transferred arc configuration.

hydrogen plasma↗

Geothermal well testing pressure prediction by using a hybrid transformer model system: FORGE well use case

Geothermal has huge potential to become an indispensable component in achieving the goal of sustainable energy economy, given its capability to provide consistent baseload power to the electric grid. Injection tests are crucial in geothermal energy system as they naturally help to evaluate reservoir properties, understand fluid flow and even enhance reservoir performance. In this research, we developed a hybrid model system that integrates machine learning (ML) regression, a physics-based mathematical model, and transformer deep learning. Trained and validated using FORGE injection test dataset, this system can forecast the pressure variations both upward and downward over time. The pressure prediction achieved prediction accuracy within 3-6% variance of true pressure values. The system can significantly save time and reduce costs by testing only a few cycles and then using model predictions for further analysis, instead of conducting additional real injection cycle tests. The developed model system also holds promise for designing injection test processes and maintaining well production in geothermal energy. Presented at the IMAGE ‘25 Conference led by Shell.

FORGE↗

Arctic Cloud‐Base Ice Precipitation Properties Retrieved Using Bayesian Inference

Abstract Cloud‐climate feedbacks are still the greatest source of uncertainty in current climate projections. Arctic clouds, which are predominantly stratiform and supercooled, often long‐lived, and nearly continuously precipitate ice particles, contribute roughly 10% of the uncertainty attributed to the global cloud feedback. This Arctic cloud uncertainty is driven by incomplete observational and theoretical knowledge required to estimate and explain the state and active processes occurring in those clouds. A focus on ice precipitation properties at Arctic cloud base rather than the surface deconfounds the product of cloud condensate sink processes from the influence of the atmospheric thermodynamic state below cloud base, rendering cloud‐base properties a more appealing target for inference and evaluation of model simulations. Here I describe an inverse model for the estimation of cloud base ice precipitation properties over Utqiagvik, North Slope of Alaska, using the synthesis of ground‐based radar and lidar measurements. By leveraging a Markov Chain Monte Carlo algorithm as the core of the inverse model, a wide range of particle size distributions are sampled, and different combinations of ice habit models are examined, both of which are typically fixed in other retrieval methods. Results show intriguing links between different cloud base thermodynamic and ice precipitation properties. Apparent ice number concentration enhancements at temperatures of −5 and −15°C suggest possible secondary ice production (SIP). The analysis alludes to an overestimation of SIP occurrence and intensity, especially in studies relying only on radar or lidar measurements. Finally, reflectivity‐dependent ice precipitation rate and ice water content parameterizations are presented.

54 ENVIRONMENTAL SCIENCES↗

Sustainable Critical Minerals: Mining, Production, and Legacy

Critical minerals (CMs) are required in renewable energy systems, electric vehicles, electronics, and national defense. Global demand has increased rapidly due to energy and digital transitions, and the United States has become increasingly reliant on vulnerable supply chains. Geological scarcity, trade barriers, environmental hurdles, and processing challenges impede domestic CM production growth. Emerging strategies, including circular economy practices and advanced sustainable mining and processing techniques, can mitigate supply chain and economic risks. To advance these approaches, consistent research priorities, policy revisions, and technology investments are required to develop a resilient CM supply. Doing so with a focus on sustainability goals can simultaneously advance domestic economic and technological goals while limiting environmental impacts and supporting global environmental goals.

biomining↗