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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Introducing a risk aggregation rationale for mapping risks to aquifers from point- and diffuse-sources–proof-of-concept using contamination data from industrial lagoons

Highlights: • Aquifer risk mapping is introduced for contaminants acting as point/diffuse-sources. • Innovations are framed by risk cells based on Source-Pathway-Receptor-Source (SPRC). • Point-source (Risk Cell 1) and diffuse-source (Risk Cell 2) use sets of algorithms. • Algorithms include MODPATH, DRASTIC, GWPI and are integrated on a modular basis. • Risk Cells 1/2 are aggregated giving fit-for-purpose results as proof-of-concept. - Abstract: Proof-of-concept for a methodology is presented on mapping risks to aquifers impacted from point- and diffuse-sources, where mapping or indexing refers to relative but not absolute values. The methodology is generic but tested by investigating impacts of a risk exposure from industrial wastewater lagoons. The methodology is innovative for using the qualitative Source-Pathways-Receptors-Consequences (SPRC) framework to aggregate risks from both point-sources and diffuse-sources through breaking down a study area into SPRC risk cells. In this paper, two risk cells are required as: (i) Cell 1 is directly impacted from a point-source; and (ii) Cell 2 is impacted by diffuse-sources to slowly contaminate the aquifer by infiltration over a large area. Indexing both types of risk cells generically comprise three tiered processes: (i) binary indexing establishes if a grid cell is at a potential risk or not; (ii) graded indexing measures the strength of the risk pathways from source to receptors; and (iii) local indexing measures intrinsic potentials at the grid cell to propagate the risk. These three processes apply to both point- and diffuse-sources but with different mathematical formulations. The proof-of-concept for the methodology of risk aggregation using the SPRC framework is supported by results of a study area, in which a set of performance metrics are used by comparing with the measurements. The results are found to be fit-for-purpose for serving as proactive management tools and to provide a deeper insight into potential impacts of adverse effects.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Improved Instrumentation for Solar Resource Measurements and Forecasting: Cooperative Research and Development Final Report, CRADA Number CRD-09-349

Under this Agreement, NREL will work with Participant to improve the instrumentation and measurement systems available for measuring and monitoring solar radiation elements needed by the electric utilities and solar power system integrators to adequately characterize the spatial and temporal variations of the renewable energy resources. This work includes, but is not limited to, research and development for making cost effective radiometers, solar trackers, and related instrumentation for solar resource measurements and forecasting. Cooperative R&D is proposed in three areas: Improved radiometric systems for cost effective irradiance measurements (direct normal, global, diffuse and plane-of-array); evaluation of innovative disruptive technology approaches for deriving the constituent solar energy components utilizing new fast-response thermopile measurement technologies, coupled with innovative shading geometry and tracker motion control; and low-cost solutions for sky imaging needed for resource forecasting. This work will be conducted at NREL and Participant facilities.

14 SOLAR ENERGY↗
DOE OSTI2023

Adaptations for gas exchange enabled the elongation of lepidopteran proboscises

The extensive biodiversification of butterflies and moths (Lepidoptera) is partly attributed to their unique mouthparts (proboscis [Pr]) that can span in length from less than 1 mm to over 280mm in Darwin's sphinx moths. Lepi-doptera, similar to other insects, are believed to inhale and exhale respiratory gases only through valve-like spi-racles on their thorax and abdomen, making gas exchange through the narrow tracheae (Tr) challenging for the elongated Pr. How Lepidoptera overcome distance effects for gas transport to the Pr is an open question that is important to understanding how the Pr elongated over evolutionary time. Here, we show with scanning electron microscopy and X-ray imaging that distance effects on gas exchange are overcome by previously unreported micropores on the Pr surface and by superhydrophobic Tr that prevent water loss and entry. We find that the density of micropores decreases monotonically along the Pr length with the maxima proportional to the Pr length and that micropore diameters produce a Knudsen number at the boundary between the slip and transition flow regimes. By numerical estimation, we further show that the respiratory gas exchange for the Pr predominantly occurs via diffusion through the micropores. In conclusion, these adaptations are key innovations vital to Pr elongation, which likely facilitated lepidopteran biodiversification and the radiation of angiosperms by coevolutionary processes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Ultra-High Vacuum Outgassing Characterization of Thermally Processed Low-Carbon Steel for Advanced Particle Accelerator and Gravitational Wave Detector Applications

This dissertation investigated AISI 1020 low-carbon steel as an alternative vacuum chamber material to conventional stainless steel for ultra-high vacuum (UHV) and extreme-high vacuum (XHV) applications. After a 400 °C/48 h bake, AISI 1020 tube chambers achieved a hydrogen outgassing rate of 2.4 × 10¿¹6 Torr·L·s¿¹·cm¿², approximately 2,300 times lower than the prebaked 316L stainless-steel comparator, among the lowest hydrogen outgassing rates ever reported for an uncoated metallic vacuum chamber. Bare and magnetite-coated AISI 1020 chambers were then compared using throughput and rate-of-rise methods. The magnetite coating yielded 5× lower water outgassing at room temperature, but this advantage disappeared after 80 °C baking. After full thermal conditioning (400 °C/48 h prebake followed by 150 °C/96 h and 200 °C/110 h), bare steel achieved 25× lower hydrogen outgassing than the magnetite-coated chamber (9.6 × 10¿¹6 Torr·L·s¿¹·cm¿²) and >99% H2 purity with carbon species below RGA detection. Monte Carlo molecular flow simulations of a CEBAF photogun beamline (96 scenarios) showed that replacing 304L stainless steel with AISI 1020 reduces equilibrium H2 pressure by a factor of 833; a single 304L electrode contributes 98.8% of the gas load despite occupying only 9.1% of the internal surface area. A 500-m Einstein Telescope beampipe screening showed that corrugated bellows contribute 18% of the gas load from only 0.7% of the surface area. A five-model adsorption isotherm framework applied to 22 pumpdown datasets (164 fits with AR(1)-GLS correction) established that the experimental protocol, not the material, controls isotherm identifiability: Dubinin–Radushkevich wins isothermal pipe pumpdowns; Langmuir wins thermally dominated chamber bakes. Cross-dataset joint fitting of the AISI 1020 pipe pumpdowns yielded an H2 diffusion activation energy Ed = 7.24 ± 1.28 kcal·mol¿¹, consistent with trap dominated diffusion in commercial low-carbon steels. Two companion innovations were developed: a Variable Conductance Device (VCD, patent pending IDF-00723) for XHV outgassing measurement, and VacuumDesignerPro (VDP), a MATLAB-based design tool validated against LIGO benchmarks.

Al-Allaq, Aiman H [Old Dominion University]↗
DOE OSTI2014

Manipulating surface diffusion and elastic interactions to obtain quantum dot multilayer arrangements over different length scales

An innovative multilayer growth of InAs quantum dots on GaAs(100) is demonstrated to lead to self-aggregation of correlated quantum dot chains over mesoscopic distances. The fundamental idea is that at critical growth conditions is possible to drive the dot nucleation only at precise locations corresponding to the local minima of the Indium chemical potential. Differently from the known dot multilayers, where nucleation of new dots on top of the buried ones is driven by the surface strain originating from the dots below, here the spatial correlations and nucleation of additional dots are mostly dictated by a self-engineering of the surface occurring during the growth, close to the critical conditions for dot formation under the fixed oblique direction of the incoming As flux, that drives the In surface diffusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

A Diffusion‐Based Uncertainty Quantification Method to Advance E3SM Land Model Calibration

Abstract Calibrating land surface models and accurately quantifying their uncertainty are crucial for improving the reliability of simulations of complex environmental processes. This, in turn, advances our predictive understanding of ecosystems and supports climate‐resilient decision‐making. Traditional calibration methods, however, face challenges of high computational costs and difficulties in accurately quantifying parameter uncertainties. To address these issues, we develop a diffusion‐based uncertainty quantification (DBUQ) method. Unlike conventional generative diffusion methods, which are computationally expensive and memory‐intensive, DBUQ innovates by formulating a parameterized generative model and approximates this model through supervised learning, which enables quick generation of parameter posterior samples to quantify its uncertainty. DBUQ is effective, efficient, and general‐purpose, making it suitable for site‐specific ecosystem model calibration and broadly applicable for parameter uncertainty quantification across various earth system models. In this study, we applied DBUQ to calibrate the Energy Exascale Earth System Model land model at the Missouri Ozark AmeriFlux forest site. Results indicated that DBUQ produced accurate parameter posterior distributions similar to those from Markov Chain Monte Carlo sampling but with 30 times less computing time. This significant improvement in efficiency suggests that DBUQ can enable rapid, site‐level model calibration at a global scale, enhancing our predictive understanding of climate impacts on terrestrial ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Tailoring composition and deformation modes at the microstructural level for next generation low-cost high-strength austenitic stainless steels

The objective of this project is to enable deliberate development of cost-effective, hydrogen resistant alloys by establishing detailed relationships specific to the effects of alloy composition, short-range order (SRO), and microsegregation in the presence of hydrogen on the transition between homogeneous deformation and localized plasticity in shear bands. In collaboration with the International Institute for Carbon-Neutral Energy Research, I2CNER, at Kyushu University in Japan, we conceptualized, designed, and manufactured four austenitic alloys that maintain corrosion resistance and ensure lower cost relative to baseline commercial alloys. The mechanical properties and deformation modes of the novel alloys (KU alloys) were assessed in the presence of hydrogen (H). Correlations between composition and performance revealed that two of the KU alloys are suitable replacements for 316 steel, while another is a viable replacement for 304 steel at room temperature. We found that, in the presence of other austenite stabilizing elements namely Mn and N, replacing Ni with Cu does not lead to martensite formation as has been previously reported.1–3 Furthermore, we found that the addition of Cu leads to an earlier onset of multiple slip resulting in an relative earlier onset of a higher work hardening rate (WHR). Greater understanding of the relationships between alloy composition and SRO required the development of a novel advanced electron diffraction methodology to characterize SRO in complex FCC alloys. This innovative approach, which combines fluctuation and correlation analyses of diffuse-scattering signals, successfully differentiated between SRO and long-range ordering (LRO). Further investigations into annealed austenitic stainless steels could provide insights into manipulating SRO and its effects on material properties. Atomistic simulations provided understanding of SRO behavior that was difficult to capture experimentally. This project created the first spin cluster expansion model that is able to capture and describe SRO effects in Fe-Ni-Cr FCC alloys, accounting for the non-negligible effects of magnetism. An automated computational workflow was established to provide reliable predictions of SRO in Fe-Ni-Cr austenitic alloys, both with and without the presence of H atoms. Analysis of the propensity for SRO in Fe-Ni-Cr alloys revealed that H tends to cluster with specific, well-defined SRO domains. The computational framework is general purpose and can be extended to realistic stainless steels across diverse composition ranges. With confidence that SRO is possible in austenitic stainless steels, we developed a discrete dislocation finite element code to understand the interaction of dislocations with SRO in the presence of H. By incorporating H effects on the dislocation emission and SRO stress field we show that the critical stress for the dislocation pileup to breakthrough the SRO domain decreases in the presence of H, which directly contributes localized deformation at the macroscale. Through the simulation of a uniaxial tension test, we demonstrated that H-induced weakening of SRO stress field and H-enhanced dislocation emission can lead to the onset of shear localization at lower macroscopic strains. As a whole, this project identified three novel alloys that show improvements in performance and cost efficiency for H-facing applications by studying correlations between alloy chemistry and deformation behavior. We also made significant advancements to experimental and computational methodologies necessary to study the chemistry and distribution of SRO across a range of alloys, which in turn allowed us to demonstrate how deformation mechanisms change due to the contributions of SRO in austenitic alloys in the presence of H. The combined advancements in fundamental understanding with novel alloy development in this project has increased the viability of next generation H-technologies for the broader public through accessible low-cost alloys and accelerated development towards future H-infrastructure.

08 HYDROGEN↗
DOE OSTI2024

Enable superior performance of ultra-high loading electrodes through the cost-efficient solvent-free electrode manufacturing technology

This research explores an innovative solvent-free method for fabricating ultra-high loading NMC811 and graphite electrodes (~6mAh∙cm -2 ), showcasing remarkable electrochemical performance enhancements compared to the electrodes prepared by the conventional slurry-casting method. Here, the optimized microstructure with dry-printed (DP) electrodes enhanced electrolyte penetration and minimized lithium-ion diffusion tortuosity resulting in improved rate performance at high current rates. Additionally, this innovative electrode manufacturing approach enables more uniform CEI and SEI formation and growth, which effectively doubles the cycle life of single-layer pouch cells with DP electrodes. Beyond the performance enhancements, this method also offers a notable 29.2 % overall cost advantages, potentially revolutionizing future battery manufacturing. The findings presented in this work underscore the potential of solvent-free manufacturing technology as a high-loading capable and cost-efficient path for advanced battery production.

25 ENERGY STORAGE↗
DOE OSTI2024

A Strategic Condition Framework for Energy Innovation

Building upon previous work in innovation, technology, and economic fields, we propose a conceptual framework to address the interplay dynamics of public policy and the value chains of clean energy technology innovation systems, by focusing on market structural and strategic conditions in relation to the rate and direction of knowledge diffusion within activity-based value chains. Our framework extends beyond socio-technical transition models by considering such nuances as: 1) the implications of geography, 2) the locus of knowledge types, 3) the dynamics of financial and knowledge flow, and 4) emphasizing the importance of both market structure and institutional conditions. At the firm level, we consider dynamics of interactions between suppliers and customers, innovation activities, the competitive environment, and the firm’s broader strategic relationship to governance activities and structures; we allow for the fact that each of these aspects of a firm’s identity may have a strategically relevant geographic dimension (e.g., service territories, locational concentration of input resources, etc.). We provide a proof-of-concept application of the U.S. utility-scale solar photovoltaic (PV) and onshore wind sectors, including their interactions with the U.S. power market, which we in present in a web-based information platform (Energy I-SPARK, ei-spark.lbl.gov).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Optimized In Situ Doping Strategy Stabling Single-Crystal Ultrahigh-Nickel Layered Cathode Materials

Single-crystal Ni-rich cathodes offer promising prospects in mitigating intergranular microcracks and side reaction issues commonly encountered in conventional polycrystalline cathodes. However, the utilization of micrometer-sized single-crystal particles has raised concerns about sluggish Li + diffusion kinetics and unfavorable structural degradation, particularly in high Ni content cathodes. Herein, we present an innovative in situ doping strategy to regulate the dominant growth of characteristic planes in the singlecrystal precursor, leading to enhanced mechanical properties and effectively tackling the challenges posed by ultrahigh-nickel layered cathodes. Compared with the traditional dry-doping method, our in situ doping approach possesses a more homogeneous and consistent modifying effect from the inside out, ensuring the uniform distribution of doping ions with large radius (Nb, Zr, W, etc). Further, this mitigates the generally unsatisfactory substitution effect, thereby minimizing undesirable coating layers induced by different solubilities during the calcination process. Additionally, the uniformly dispersed ions from this in situ doping are beneficial for alleviating the two-phase coexistence of H2/H3 and optimizing the Li + concentration gradient during cycling, thus inhibiting the formation of intragranular cracks and interfacial deterioration. Consequently, the in situ doped cathodes demonstrate exceptional cycle retention and rate performance under various harsh testing conditions. Our optimized in situ doping strategy not only expands the application prospects of elemental doping but also offers a promising research direction for developing high-energy-density single-crystal cathodes with extended lifetime.

25 ENERGY STORAGE↗
DOE OSTI2020

Advanced Moderation Module for High-Temperature Micro-Reactor Applications

Development and deployment of micro-reactors that provide competitive efficiency, prevailing compactness, and inherent safety is an immediate focus of the U.S. nuclear industry. For thermal neutron micro-reactors operating at elevated temperature for optimized efficiency, such as micro molten-salt reactors (MSRs), heat-pipe reactors, and very-high temperature reactors (VHTRs), high-performance moderator based on metal hydride can enhance the neutron economy and therefore achieve reduced weight and enhanced portability. As unclad metal hydride inevitably decomposes at elevated temperature, an enclosure is required for hydride moderator to deliver desired performance at elevated temperatures. Conventional moderator enclosure solutions based on high-temperature alloys introduce extraneous neutron penalty into the micro-reactor, affecting the neutronic benefits provided by the hydride moderator. Additionally, the compatibility between the high-temperature alloy enclosure and the micro-reactor matrix is also a potential issue. In this report, we disclose an Advanced Moderator Module (AMM) concept enabled by an innovative enclosure solution combining the advantages of refractory metals, ceramic matrix composites (CMCs), and advanced coating technology to serve as hydrogen permeation barrier up to very-high temperatures. A schematic description of the AMM structure is illustrated in Figure A1. The AMM contains a moderating material core made of metal hydride with high thermal stability, such as YH 2-x . The hydride core is enclosed by an H 2 barrier layer coated on a ductile refractory metal liner to minimize hydrogen loss during high-temperature operation. A ceramic matrix composite (CMC) cladding is adopted to provide further structural strength, especially during power transients. Between the CMC cladding and metal liner, an extra diffusion barrier coating is inserted to suppress the chemical interaction at elevated temperatures. Hence, based on a series of innovative material solutions, the AMM is capable of containing the metal hydride core at elevated temperature (>900oC) inside coated and lined CMC envelop with negligible hydrogen loss throughout the microreactor lifetime. The benefit of the AMM technology was assessed based on a comprehensive multi-stage reactor-physics analysis. Advanced moderation based on hydride metals (such as YH2-x) enables reaching optimum moderation with higher fuel content than traditional VHTR technology, which is required to design compact micro-reactor cores targeting long-life operation. The AMM enclosure technology provides lower thermal neutron absorption rates than traditional solutions (based on stainless steel or Mo-based alloy such as TZM), which reduces the fissile enrichment requirements by 6-8% on a TRISO-fueled design based on the EMPIRE core. Finally, combining the hydride moderator with neutron transparent enclosure solutions provides significant potential to boost neutronics performance of micro-reactors in terms of increased core lifetime or reduced size and weight by 30-50% on a micro-reactor based on the Holos Quad technology. The progress and plans for on-going development and demonstration efforts are also discussed in this report. The current demonstration of AMM is focused on the hydrogen diffusion barrier demonstration under thermal cycling, while radiation tolerance demonstration is planned. The next step of the demonstration plan will be the assembly of miniature AMM for high-temperature testing, which can be used as a prototype for future pilot scale demonstration.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Commissioning of Robotic Inspection and Automated Analysis System for Assay of Gas Diffusion Piping - 19500

Robotic, in-pipe, nondestructive assay (NDA) is a revolutionary and important means for measuring, analyzing, and reporting radioactive holdup deposits in enrichment piping. This innovation promises vast advantages for efficiency, safety, and cost savings. Payoff, however, lies in utilization much more than innovation. Crossing that threshold from a technical capability to an everyday tool occurs only after rigorous commissioning, adoption, and infusion. This must meet the highest standard, and there can be no compromise. Certification of a new NDA technology must meet the highest standards for quality, safety, and efficacy. Prior to this work, there was no precedent of procedure and method for certification of a robotic methodology for this purpose. The best of robotics had not certified NDA. The best of NDA had not certified robotics. Hence, a great deal of discovery, resourcefulness, and collaboration contributed to this success. This paper chronicles the first-of-kind chartering, co-development, testing, documentation, and site integration that certified this trailblazing in-pipe, robotic NDA. Commissioning had to demonstrate and certify end-to-end NDA automation from robot traversal to computer analysis to report generation of contaminated process piping at the Portsmouth, Ohio gaseous diffusion facility. This was a rigorous campaign of tests, evaluations, and documentation. Highlights included multiple tests in four elevated pipes exercised the gamut of NDA and robotic capabilities. Each of the four test pipes presented a unique loading of U-235. The tests demonstrated operations in both 30- inch and 42-inch diameter pipes with varying lengths and terminated by a variety of valves and fittings. Tests in a fifth pipe at floor level demonstrated deployment and applicability for pipes at this ground height and robot recognition of another fitting type. All operations, calibration, deployment, auto-reporting, and analysis were handled by Portsmouth site personnel. These tests concluded a series of component-level acceptance tests which certified all constituent technologies and operational features. Test metrics included comparison of reported to ground truth results and assessment of data quality from quality assurance and replicate measurement comparison. Beyond the radiometry associated with any NDA method, this unique commissioning path exercised and evaluated all the robotic features that are intrinsic to automation. These include odometry, geometric modeling, autonomy, remote launch and recovery, and end-to-end data flow. Each of these required verification and certification. These evaluations were first-of-kind for the decommissioning community, requiring innovation and resourcefulness in their own right. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Reduced diffusion and enhanced retention of multiple radionuclides from pore structure characterization of barrier materials for enhanced repository performance

Fluid flow and chemical transport in porous media are the macroscopic consequences of pore structure, which integrates geometry (e.g., pore size and surface area, pore-size distribution) and topology (e.g., pore connectivity). Low-permeability geological media whose pores are poorly interconnected will exhibit the characteristics of anomalous diffusion and sample size-dependent effective porosity, which will strongly impact long-term net diffusion and retention of radionuclides in geological repository settings involving different host rocks and barrier materials. A suite of innovative and complementary experimental approaches is utilized to study the microscopic pore structure and macroscopic fluid flow & chemical transport for a range of host rocks and barrier materials, in addition to standard clay minerals and reference rocks. With a particular focus on quantifying the presence and magnitude of “isolated” pores for a reduced effective porosity in low-permeability geomedia, the integrated methodologies for basic properties and pore structure characterization of these geomedia include X-ray diffraction, thin section petrography, grain size distribution, water immersion porosimetry after vacuum-pulling for full saturation, mercury intrusion porosimetry, nitrogen physisorption, scanning electron microscopy, X-ray computed tomography, and (ultra-)small angle neutron (X-ray) scattering. In addition, custom-designed gas diffusion, tracer recipe involving a range of anionic and cationic chemicals with subsequent analyses by laser ablation and inductively coupled plasma-mass spectrometry, along with batch sorption, column transport, and imbibition tests were conducted for coupled effects of pore structure and chemical retention/transport. From the perspectives of pore structure in conjunction with multiple and complementary approaches to examining a range of sample sizes under different observational scales, we find that the poor pore connectivity is prevalent in low-permeability media (mudstone and crystalline rock) that is related to geological processes (e.g., compaction, diagenesis and thermal maturation). For example, the deep and organic matter-rich mudstones have a much smaller effective porosity than the total porosity (as a result of poor pore connectivity) and associated diffusion coefficient, and the effective porosity & diffusion coefficients are also dependent upon the sample sizes used in the measurement. Similarly, most of the pore space in the shallow mudstone is also controlled by pore-throat diameters in the 5-50 nm range of intergranular pore types from its fine-grained nature, but with an overall good pore connectivity. However, the nm-sized pore space (physically pore-network architecture) and strong sorption capacities (chemical retention from clay minerals) of both shallow and deep mudstones lead to the synergistic retention of cationic radionuclides and their utilities as effective host rocks and barrier materials. Our unique approaches of studying how the micro-scale pore structure affect macro-scale fluid flow, diffusion & retention, and chemical transport produce improved mechanistic understanding, and realistic quantification, of diffusion and retention of typical radionuclides in a range of generic host rocks and barrier materials (clay/shale, salt, crystalline rock, and tuff), with the overall results leading to scientifically-based understanding of enhanced isolation (from both diffusion and retention) of radionuclides and improved confidence on the long-term performance of geological repository to store high-level radioactive wastes. In addition to the training of 25 undergraduates, graduates, and postdocs of UTA, the scientists (organizations) involved in performing this work (e.g., discussion, sample sharing, and operation of SANS and SAXS instruments) include Ed Matteo, Yifeng Wang, and Kristopher Kuhlman (Sandia National Laboratories), Jens Birkholzer, Liange Zheng, Tim Kneafsey, and Sharon Borglin (Lawrence Berkeley National Laboratory), Mavrik Zavarin (Lawrence Livermore National Laboratory), Yukio Tachi and Yuta Fukatsu (Japan Atomic Energy Agency), Mieke de Craen (Euridice, Belgium), Markus Bleuel (NIST), Wei-Ren Chen, Gergely Nagy, Changwoo Do, William Heller, Larry Anovitz, and Kenneth Littrell (ORNL), as well as Jan Illvsky, Ivan Kuzmenko, Ju-Sang Park and Jon Almers (ANL). Key deliverables include a total of 13 peer-reviewed journal articles (nine published and three under review), 23 presentations at scientific conferences (AAPG, AAPG Southwest Section, AGU, Asian Clay Conference, GSA, GSA South-Central Section, IHLRWM, InterPore, International Conference on Chemistry and Migration Behavior of Actinides and Fission Products in the Geosphere, International Conference on Coupled Processes in Fractured Geological Media: Observation, Modeling and Application), and academic institutions (UTA, New Mexico State University; University of Poitiers, France; University of Helsinki, Finland; Uppsala University, Sweden; Istanbul Technical University, Turkey) and other organizations (Andra, France; Posiva Oy, Finland).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Industrial Load Flexibility, the U.S. Power Grid and Ammonia

A variable renewable power grid is a new technological regime that involves real time harvesting and low-cost availability of energy resources coupled with storage to meet additional needs. Decarbonization through electrification of end uses formerly met by combustion processes will be a concurrent trend. Taken together, these two changes may make flexibility on the demand side more valuable to the grid and to industrial users. Industry accounted for 26% of US power demand in 2021. Traditionally, industrial processes for producing ammonia and other basic materials have been optimized for a system based on fossil resources, where energy can be called upon according to needs. Large capital expenditures as well as safety considerations have favored plants running at steady state at close to their maximum capacity. It is possible, however, that the renewable energy transition will offer opportunities to sectors that can operate in a more flexible manner. Innovations that make use of flexibility to enhance their business model to move forward, individuals and groups active in their development, use and regulation, together with institutions and infrastructures, can be considered as a technological innovation system (TIS). Beyond economic and technical factors on their own, the TIS is an important analysis framework for studying the development and diffusion of technologies. This work attempts to map the TIS of flexible industrial loads and their interaction with electric power in the US, with a particular focus on ammonia as a case study. We have conducted interviews with stakeholders involved in ammonia projects, working in system operators, trade groups, regulators and utilities. We assess to what extent a technological innovation system is functioning and document characteristics that allow industries to operate flexibly.

ammonia↗
DOE OSTI2018

Innovative compact braze-free accelerating cavity

We report that high energy physics experiments using particle accelerators as well as industrial and medical applications are continuously seeking more compact, robust and cheaper accelerating structures. As of today, stable operating gradients, exceeding 100 MV/m, have been demonstrated by the SLAC group in the X-Band (11.424 GHz). These experiments show that hard structures, fabricated without high-temperature processes, achieve a better high gradient performance in terms of accelerating gradients. Therefore, we present an innovative and compact type of accelerating cavity that avoids any high-temperature processes like brazing or diffusion bonding. All cells are joined together by means of specifically designed and proprietary screws which ensure good vacuum and RF contacts. Two three-cell standing-wave accelerating structures, designed to operate in the pi-mode at 11.424 GHz, have been successfully built and cold tested. In order to guarantee a vacuum envelope and mechanically robust assembly, we used the Electron Beam Welding (EBW) and the Tungsten Inert Gas (TIG) processes. Lastly, this work has been carried out in the framework of a funded project by the Vth Committee of the INFN for the Laboratori Nazionali di Frascati (LNF), within a large international collaboration between LNF, SLAC and KEK for the development of X-Band accelerating cavities using "hard structure" technology.

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

Structural Effects and Interactions of Carbon Dioxide Molecules Adsorbed on Ni, Zn, and Cd Nitroprussides

A thorough structural characterization of the synthesized Ni-, Zn-, and Cd-nitroprussides (NPs) with X-ray diffraction (XRD), thermogravimetric analysis, diffuse reflectance infrared Fourier transform spectrometry (DRIFTS), M€ossbauer spectroscopy, and magnetic measurements was performed. We studied the innovative part of the research for the structural effects and the interactions of the CO 2 molecule with the Ni-, Zn-, Cd-NP frameworks. DRIFTS of adsorbed molecules, high pressure adsorption, and in situ XRD adsorption experiments were performed. The DRIFTS spectra displayed peaks assigned to CO 2 physical adsorption and the formation of adducts (M 2+ ∙∙∙ O=C=O). The fitting of the adsorption data to the Dubinin₋Radushkevich equation and a Langmuir-type equation for volume filling allowed the calculation of the micropore volume and the isosteric heats of adsorption. Furthermore, the calculated parameters indicated an unusual behavior of the adsorption process in Cd-NP at high pressure. This fact was caused by the interaction of CO 2 molecules with the framework cations and the small adsorption space of Cd-NP. The Ni- and Zn-NPs behaved normally. The Pawley fitting of the XRD profiles of the dehydrated materials and under CO 2 adsorption indicated that in both cases Ni-NP, Zn-NP, and Cd-NPs displayed the Fm$\overline{3}$m, R$\overline{3}$, and Pnma space groups, respectively. The dehydrated samples demonstrated a change in the cell parameters. But, only Cd-NP presented a noticeable variation of its cell parameters under CO 2 adsorption. This fact was linked to the unusual behavior of the adsorption process in Cd-NP. In addition, we show that dehydrated Ni-, Zn-, and Cd-NPs can store 27, 22, and 15 wt % of CO 2 at 298 K and 9 atm., respectively. Then, Ni- and Cd-NPs are excellent for CO 2 storage, and Cd-NP is good for gas cleaning.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A compact high-performance low-field NMR apparatus for measurements on fluids at very high pressures and temperatures

We discuss an innovative new high-performance apparatus for performing low-field Nuclear Magnetic Resonance (NMR) relaxation times and diffusion measurements on fluids at very high pressures and high temperatures. The apparatus sensor design and electronics specifications allow for dual deployment either in a fluid sampling well logging tool or in a laboratory. The sensor and electronics were designed to function in both environments. This paper discusses the use of the apparatus in a laboratory environment. The operating temperature and pressure limits, and the signal-to-noise ratio (SNR) of the new system exceed by a very wide margin what is currently possible. This major breakthrough was made possible by a revolutionary new sensor design that breaks many of the rules of conventional high pressure NMR sensor design. A metallic sample holder capable of operating at high pressures and temperatures is provided to contain the fluid under study. The sample holder has been successfully tested for operation up to 36 Kpsi. A solenoid coil wound on a slotted titanium frame sits inside the metallic sample holder and serves as an antenna to transmit RF pulses and receive NMR signals. The metal sample holder is sandwiched between a pair of gradient coils which provide a linear field gradient for pulsed field gradient diffusion measurements. The assembly sits in the bore of a low-gradient permanent magnet. The system can operate over a wide frequency range without the need for tuning the antenna to the Larmor frequency. The SNR measured on a water sample at room temperature is more than 15 times greater than that of the commercial low-field system in our laboratory. Thus, the new system provides for data acquisition more than 200 times faster than was previously possible. Laboratory NMR measurements of relaxations times and diffusion coefficients performed at pressures up to 25 Kpsi and at temperatures up to 175 °C with crude oils enlivened with dissolved hydrocarbon gases (referred to as “live oils”) are shown. This is the first time low-field NMR measurements have been performed at such high temperatures and pressures on live crude oil samples. We discuss the details of the apparatus design, tuning, calibration, and operation. NMR data acquired at multiple temperatures and pressures on a live oil sample are discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Optimizing radiotherapy protocols using computer automata to model tumour cell death as a function of oxygen diffusion processes

The concept of hypofractionation is gaining momentum in radiation oncology centres, enabled by recent advances in radiotherapy apparatus. The gain of efficacy of this innovative treatment must be defined. We present a computer model based on translational murine data for in silico testing and optimization of various radiotherapy protocols with respect to tumour resistance and the microenvironment heterogeneity. This model combines automata approaches with image processing algorithms to simulate the cellular response of tumours exposed to ionizing radiation, modelling the alteration of oxygen permeabilization in blood vessels against repeated doses, and introducing mitotic catastrophe (as opposed to arbitrary delayed cell-death) as a means of modelling radiation-induced cell death. Published data describing cell death in vitro as well as tumour oxygenation in vivo are used to inform parameters. Our model is validated by comparing simulations to in vivo data obtained from the radiation treatment of mice transplanted with human prostate tumours. We then predict the efficacy of untested hypofractionation protocols, hypothesizing that tumour control can be optimized by adjusting daily radiation dosage as a function of the degree of hypoxia in the tumour environment. Further biological refinement of this tool will permit the rapid development of more sophisticated strategies for radiotherapy.

60 APPLIED LIFE SCIENCES↗