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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 OSTI2020

Verification of the sensitivity and uncertainty-based criticality safety validation techniques: ORNL’s SCALE case study

The use of sensitivity and uncertainty-based techniques has been well-developed in the neutronic community for criticality safety applications. Sensitivity techniques calculate the first-order relative variations in keff due to relative cross-section variations by isotope, reaction type, and incident neutron energy. The result is a vector of sensitivity coefficients which is folded with prior cross-section uncertainties to calculate the so-called similarity indices. Similarity indices are integral quantities which serve as useful mathematical measures for assessing the relevance of existing or new experiments to given application conditions, representing design systems for which the models are to be validated. Despite their importance for a wide range of validation activities, the peer-reviewed literature is non-existent on the development of rigorous verification analysis for their calculated values. Thus, this manuscript proposes a simple non-intrusive method to calculate similarity indices, serving as an independent verification tool for their evaluation. The manuscript derives the theoretical basis for the proposed verification analysis. Next, the verification analysis is applied to the ORNL’s SCALE code suite which employs adjoint-based methods to calculate similarity indices. Numerical experiments using a number of well-known benchmark experiments are employed to verify the calculation of the similarity indices.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

SCALE 6.3 Validation: Radiation Shielding

Safe and reliable use of scientific and engineering computer codes requires validation for the types of applications in which they will be used. An example in the nuclear reactor engineering and licensing field is radiation transport employed in shielding analyses. The validity of computer codes for shielding applications is demonstrated in this report for SCALE version 6.3.0. Representative benchmarks corresponding to shielding analyses are selected for the validation study. Typical measurement results analyzed from these benchmarks include neutron fluxes, detector count rates, detector energy response functions, neutron and gamma dose rates, neutron activation rates and activities, neutron leakage fluxes, and skyshine dose rates. Thousands of points of comparison between measurement and calculation are presented in this work. Other than rare outliers typically explained by either a lack of information or large uncertainties in the experiment conditions, material, or dimensions, the Monaco with Automated Variance Reduction using Importance Calculations (MAVRIC) radiation transport computer code with built-in variance reduction methods distributed with the SCALE computer code system agrees well with the measurement results. In selected benchmarks, MAVRIC is also compared to Monte Carlo N- Particle® (MCNP® ) 1 calculations. Both computer codes generally agree well within the estimated uncertainties. With the release of SCALE 6.3.0, Shift was integrated as an alternative transport solver in MAVRIC, denoted MAVRIC-Shift. Although the traditional MAVRIC using Monaco was used primarily in this validation study, many results have also been generated using MAVRIC-Shift. Agreement between MAVRIC-Monaco and MAVRIC-Shift is generally very good. The benchmarks presented in this report were obtained from reliable sources such as the International Criticality Safety Benchmark Evaluation Project Handbook, the Shielding Integral Benchmark Archive & Database, and other shielding validation work found in the literature. Additional datapoints and benchmarks will be added to future versions of this report to expand the shielding validation suite.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Expansion of the Fuel Motion Monitoring System

The Idaho National Laboratory (INL) Transient Reactor Test Facility (TREAT) Fuel Motion Monitoring System (FMMS) is a diagnostic tool used to visualize the movement and location of fuel within the nuclear reactor during transient experiments. TREAT is designed to test the behavior of nuclear fuel under accident conditions, such as a rapid power increase. The TREAT FMMS, also referred to as the “hodoscope” because of the system’s massive steel collimator component, is located on the North beam port of the reactor. While the FMMS system is capable of incorporating a total of 360 sensors, initial refurbishment efforts resulted in a array of 96 fast neutron detectors. This initial array was configured to provide a narrow (2 channels) full-length view of experiment vessels with an extended 4-channel–wide region in the center of the array capable of providing a full view of all initially planned experiments. Planning and efforts to expand the FMMS array began immediately following the restart of TREAT. An additional 96 detectors were evaluated, characterized, and prepared for installation at TREAT during the summer of 2018. Unfortunately, funding reductions forced the project towards a 5-year hiatus. In October of 2023 funding from the Department of Energy’s Nuclear Science User Facilities enabled the expansion to recommence. This report serves to document the activities performed to expand the FMMS detector array to 192 channels in order to provide a broader view of the larger and more sophisticated test capsules currently planned for future irradiation in the TREAT reactor. This expansion also included doubling the data acquisition capability, addressing the new heat load on the system, and synchronizing the time for all digital components.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

A review of in situ/operando studies of heterogeneous catalytic hydrogenation of CO 2 to methanol

Repurposing CO 2 into chemicals, one of the Carbon Dioxide Removal (CDR) strategies, still faces significant challenges in conversion and energy efficiency due to the lack of effective catalysts and processes. Fundamental understanding through in situ/operando investigations of the reaction mechanisms and catalyst structures is pivotal for developing the efficient catalysts. This paper reviews the past and recent in situ/operando studies of methanol synthesis from heterogeneous CO 2 hydrogenation over a few typical catalysts including Cu-based, oxide-based, and noble-metal-based catalysts. With the development of high-pressure reactors, in situ/operando IR, X-ray absorption spectroscopy (XAS), X-ray diffraction (XRD), neutron diffraction and imaging have been used to reveal the surface intermediates and structures of working catalysts under CO 2 hydrogenation conditions. On the one hand, the combined operando techniques shed light on working mechanisms for some catalytic systems. On the other hand, due to the complexity of selective CO 2 hydrogenation reaction and limited sensitivity of current accessible operando techniques to the surface structure of catalysts, it is still murky about the exact nature of the active sites at the surface/interface and how different sites promote different reaction paths. Furthermore, it is concluded that new methodologies for differentiating signals from different sites, and the development of surface-sensitive techniques for high pressure reactions are needed for providing structural descriptors of highly active and selective CO 2 conversion catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Improved chemical and isotopic labeling of biomembranes in Bacillus subtilis by leveraging CRISPRi inhibition of beta-ketoacyl-ACP synthase (fabF)

Assessing the structure of living microbial cell membranes is a challenging analytical goal. The cell membrane is defined by its transverse structure, an approximately 5 nm-thick selectively permeable bilayer that serves many important cellular functions. Compositionally complex, dynamic, and organized in both the transverse and lateral dimensions, understanding the cell membrane structure—and the role that structure plays in cellular function, communication, and environmental sensing is an active scientific effort. Previously, we have devised a novel isotopic labeling approach for membrane lipids to enable direct in vivo structural studies of the cell membrane in the Gram-positive bacterium, Bacillus subtilis , using small-angle neutron scattering. This was accomplished through a genetic inhibition of fatty acid (FA) degradation (Δ fadN ) and a chemical inhibition of FA biosynthesis using cerulenin, an irreversible inhibitor of type II fatty acid synthases. Here, we improve upon the previous system by introducing a dCas9/sgRNA- fabF complex that blocks transcription of the essential fabF gene when under xylose induction. This leads to greater sensitivity to cerulenin in the mutant strain (JEBS102) and more robust cell growth when supplementary FAs are introduced to the culture medium. A subtle change in FA uptake is noted when compared to the prior labeling strategy. This is seen in the gas chromatography/mass spectrometry (GC/MS) data as a higher ratio of n 16:0 to a 15:0, and manifests in an apparent increase in the membrane thickness determined via neutron scattering. This represents an improved method of isotopic labeling for the cell membrane of Bacillus subtilis; enabling improved investigations of cellular uptake and utilization of FAs, cell membrane structure and organization as a phenotypic response to metabolic and environmental changes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Multi-physics Modeling of Radiative Heat Transfer and Fluid Flow for the Reactor Cavity Cooling System

High-temperature gas-cooled reactors (HTGRs) are notable for their high thermal efficiency and potential for combined heat and power applications. These reactors are particularly appealing due to their advanced passive safety features. HTGRs utilize passive safety systems that function without requiring active components like pumps or compressors during emergencies. These reactor designs depend on a Reactor Cavity Cooling System (RCCS) to manage decay heat removal from the reactor pressure vessel (RPV) during accident conditions. The RCCS consists of vertical rectangular channels known as "risers" or riser ducts positioned around the RPV. These risers receive heat from the RPV through both convective and radiative heat transfer mechanisms. Understanding the interplay of multiple physical phenomena, such as fluid dynamics, heat transfer, and neutron interactions, is essential for the effective design and operation of nuclear reactors, particularly for systems like the RCCS. Multi-physics simulations provide a comprehensive approach to studying these interactions, offering detailed insights and enhancing accuracy. They are especially important in RCCS designs, where the interaction between radiative and convective heat transfer can significantly impact system performance. By leveraging multi-physics simulations, complex reactor behaviors can be modeled without compromising the fidelity of the underlying physical processes. This work aims to establish a robust methodology for coupling multiple physical processes in an air-cooled RCCS. By focusing on validating this multi-physics approach, the study involves designing test cases that simulate various conditions to verify the numerical models employed. The outcomes of this research will provide critical insights for accurately modeling and optimizing complex nuclear systems like the RCCS.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

NRC Multiphysics Analysis Capability Deployment (FY2021 - Part 2)

This report details the progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Support for Advanced Non-Light Water Reactors.” Task 4b was completed for this report. INL developed a sample problem showing how to use Serpent 2 to calculate macroscopic cross sections for use in Griffin for a typical sodium fast reactor Unprotected Loss of Flow (ULOF) transient. The complicating factor is the relatively large axial gradient of the coolant (and hence fuel) temperature and its evolution during the transient. A 3D Griffin model of the Advanced Burner Test Reactor (ABTR) is coupled to the System Analysis Module (SAM) to perform the ULOF transient. The model includes various explicit feedback mechanisms for fast reactors, including Doppler, radial expansion from the displacement of the support plate, and axial expansion from the displacement of the fuel pins. The results for the ULOF transient are consistent with published values. We observed small effects in the transient results that arise from the superhomogenization equivalence correction of uniform and nonuniform temperature data sets, but they diminish as more dominant reactivity mechanisms are added to the model. Potential improvements to the neutronics model include: adding the differential control rod and sodium feedback mechanisms, implementing cross section re-homogenization based on the partial volume of the various materials, and enhancing the kinetics parameters. Furthermore, the fluids model only includes four subchannels to represent the entire active core due to performance limitations in SAM when attempting to model one subchannel per assembly.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

The new ITER baseline, research plan and open R&D issues

A new baseline (NB) has been proposed by the ITER Project to ensure a robust achievement of the Projects’ goals, in view of past challenges including delays incurred due to the Covid-19 pandemic, technical challenges in completing first-of-a-kind components and in nuclear licensing. The NB includes modifications to the configuration of the ITER device and its ancillaries (e.g. change from beryllium to tungsten as first wall material, modification of the heating and current drive mix, etc.) as well as additional testing of components (e.g. toroidal field coils) or phased installation (start with inertially cooled first wall before later installation of the final actively water-cooled components) to minimise operational risks. In the NB, the ITER research plan (IRP) will be divided into three main phases: (a) start of research operation, with 40 MW of ECH and 10 MW of ICH, which will focus on the demonstration of 15 MA operation in L-mode, commissioning of all required systems, including disruption mitigation, and the demonstration of H-mode plasma operation in deuterium; (b) DT-1, with 60–67 MW of ECH, 33 MW of neutral beam injection (NBI) and 10–20 MW of ICH, which will demonstrate robust operation in high confinement H-mode plasmas in DT up to Q ⩾ 10 and for burn durations of 300–500 s within an accumulated neutron fluence of ∼1% of the ITER machine’s lifetime total, and; (c) DT-2, with up to 67 MW of ECH, up to 49.5 MW of NBI and up to 20 MW of ICH, with the ITER tokamak and ancillaries in their final configuration to demonstrate routine operation in DT plasmas at high Q and the Q ⩾ 5 long-pulse and steady-state scenarios to the final neutron fluence and to perform R&D on nuclear fusion reactor issues. The logic, physics basis, modelling and experimental evaluations carried out to support the NB and the associated IRP are described. These include the impact of the tungsten wall on plasma scenarios and associated risk mitigation measures, as well as the optimisation of the tokamak components and ancillaries to minimise Project risks. Open R&D issues related to these evaluations and mitigation measures are also described together with experimental, modelling and validation activities required to address them.

ITER↗
DOE OSTI2025

Mesoporous Thin Film Architectures: Addressing Material Demands through Molecular Self-Assembly

Mesoporous thin films spark interest across a wide range of disciplines due to their tunable nanostructures, large internal surface areas, and strong compatibility with planar optical, electronic, and microfluidic devices. While attention in the porous materials community has shifted toward macroporous or disordered nanoporous systems, a resurgence in mesoporous thin film research is underway, driven by new molecular self-assembly methods, advanced materials chemistry, and improved characterization techniques. The integration of high-χN block copolymer design, kinetically persistent micelle templating, and postdeposition processing protocols now allows control over structural parameters such as pore size, wall thickness, porosity, and connectivity. These advances have overcome many of the thermodynamic and processing constraints that previously limited widespread adoption. Rather than serving only as high-surface-area supports, mesoporous thin films are engineered as active interfaces where responsive chemistries and nanoscale confinement act in tandem. Embedding switchable ligands, thermoresponsive polymers, redox mediators, or ion-selective groups directly within the pore walls enables real-time control over transport, optical, and electrochemical properties. These capabilities open up new directions in adaptive coatings, gated membranes, and fast-response biosensors. To further expand their functional scope, mesoporous films are integrated into hierarchical and multicomponent architectures. Techniques such as triblock terpolymer templating, crack-directed assembly, and nanoimprint lithography allow for control over spatial organization on the micron and submicron scale and pore system orientation. This enables programmable anisotropy, enhanced molecular diffusion, and wavelength-selective photonic behavior, essential for next-generation sensing, catalysis, and energy applications. Such structural and functional complexity requires equally sophisticated characterization. Multimodal and in situ techniques can track material dynamics under operational conditions. Recent progress includes extended-range ellipsometric porosimetry (EP) for hierarchical architectures, vacuum EP for interface energetics, time-resolved EP for diffusion kinetics, and correlative AFM-SAXS mapping. The introduction of advanced neutron-based spectroscopies, particularly quasielastic neutron scattering (QENS), promises to provide real-time access to ion transport dynamics and segmental motion under nanoscale confinement, offering a path toward deeper mechanistic understanding of structure-performance correlations in mesoporous systems. This Account reflects the technical advances made and the interdisciplinary collaborations that have shaped our collective vision. The particular dimensions of mesopores enable us to subtly tune interactions at the molecular, interfacial, and mesoscopic levels that permit us to harness nanoconfinement. What emerges is a versatile, modular platform capable of chemical gating, energy transduction, and sensing with a level of tunability unmatched by other porous materials. We highlight critical challenges including the need for more robust large-area processing, a deeper understanding of dynamic behavior under cycling, and better integration with device-level architectures. Our strategies support the transition of mesoporous thin films into active high-performance components in next-generation energy, environmental, and biomedical systems.

oxides↗
DOE OSTI2022

Diagnostics for Burning Plasmas

Here, recent progress in the design and manufacturing development of in-vessel diagnostic components by the U.S. ITER team is reported. Design and manufacturing choices are driven by engineering challenges stemming from ITER’s burning plasma mission, which entails levels of plasma neutron emission, pulse lengths, and size scales well beyond the existing database. Challenges include port access limitations, neutron irradiation and activation risks, nuclear heating of components, complex interfaces, remote handling compatibility, and constraints on component and processing materials. Responses to these challenges are presented using examples from the low field side reflectometer, toroidal interferometer polarimeter, and electron cyclotron emission diagnostics. Relevance of the experience from ITER diagnostics engineering to the design of future integrated fusion facilities based on burning plasmas is addressed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Nanostructural Analysis of Enzymatic and Non-enzymatic Brown Rot Fungal Deconstruction of the Lignocellulose Cell Wall†

Brown rot (BR) decay mechanisms employ carbohydrate-active enzymes (CAZymes) as well as a unique non-enzymatic chelator-mediated Fenton (CMF) chemistry to deconstruct lignocellulosic materials. Unlike white rot fungi, BR fungi lack peroxidases for lignin deconstruction, and also lack some endoglucanase/cellobiohydrolase activities. The role that the CMF mechanism plays in “opening up” the wood cell wall structure in advance of enzymatic action, and any interaction between CMF constituents and the selective CAZyme suite that BRs possess, is still unclear. Expression patterns for CMF redox metabolites and lytic polysaccharide monooxygenase (LPMO–AA9 family) genes showed that some LPMO isozymes were upregulated with genes associated with CMF at early stages of brown rot by Gloeophyllum trabeum. In the structural studies, wood decayed by the G. trabeum was compared to CMF-treated wood, or CMF-treated wood followed by treatment with either the early-upregulated LPMO or a commercial CAZyme cocktail. Structural modification of decayed/treated wood was characterized using small angle neutron scattering. CMF treatment produced neutron scattering patterns similar to that of the BR decay indicating that both systems enlarged the nanopore structure of wood cell walls to permit enzyme access. Enzymatic deconstruction of cellulose or lignin in raw wood samples was not achieved via CAZyme cocktail or LPMO enzyme action alone. CMF treatment resulted in depolymerization of crystalline cellulose as attack progressed from the outer regions of individual crystallites. Multiple pulses of CMF treatment on raw wood showed a progressive increase in the spacing between the cellulose elementary fibrils (EFs), indicating the CMF eroded the matrix outside the EF bundles, leading to less tightly packed EFs. Peracetic acid delignification treatment enhanced subsequent CMF treatment effects, and allowed both enzyme systems to further increase spacing of the EFs. Moreover, even after a single pulse of CMF treatment, both enzymes were apparently able to penetrate the cell wall to further increase EF spacing. The data suggest the potential for the early-upregulated LPMO enzyme to work in association with CMF chemistry, suggesting that G. trabeum may have adopted mechanisms to integrate non-enzymatic and enzymatic chemistries together during early stages of brown rot decay.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Charge collection study with the ATLAS ITk prototype silicon strip sensors ATLAS17LS

The inner tracker of the ATLAS detector is scheduled to be replaced by a completely new silicon-based inner tracker (ITk) for the Phase-II of the CERN LHC (HL-LHC). The silicon strip detector covers the volume 40 < R < 100 cm in the radial and | z | < 300 cm in the longitudinal directions. The silicon sensors for the detector will be fabricated using the n + -on-p 6-inch wafer technology, for a total of 22,000 wafers. Here, intensive studies were carried out on the final prototype sensors ATLAS17LS fabricated by Hamamatsu Photonics (HPK). The charge collection properties were examined using penetrating 90 Sr β -rays and the ALIBAVA fast readout system for the miniature sensors of 1 cm × 1 cm in area. The samples were irradiated by protons in the 27 MeV Birmingham Cyclotron, the 70 MeV CYRIC at Tohoku University, and the 24 GeV CERN-PS, and by neutrons at Ljubljana TRIGA reactor for fluence values up to 2 × 10 15 n eq /cm 2 . The change in the charge collection with fluence was found to be similar to the previous prototype ATLAS12, and acceptable for the ITk. Sensors with two active thicknesses, 300 μ m (standard) and 240 μ m (thin), were compared and the difference in the charge collection was observed to be small for bias voltages up to 500 V. Some samples were also irradiated with gamma radiation up to 2 MGy, and the full depletion voltage was found to decrease with the dose. This was caused by the Compton electrons due to the 60 Co gamma radiation. To summarize, the design of the ATLAS17LS and technology for its fabrication have been verified for implementation in the ITk. We are in the stage of sensor pre-production with the first sensors already delivered in January of 2020.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Imaging Based Detector with Efficient Scintillators for Neutron Diffraction Measurements

The Anger Camera developed by the detector group at the Oak Ridge National Laboratory was utilized for the present work for its unique advantage of employing multiple modules to obtain large active measurement area for detecting diffracted/scattered thermal neutrons. Considering the relatively small flux associated with diffracted/scattered neutrons, suitable efficiency with high spatial resolution is a requirement for utilizing two-dimensional imaging detectors. The potential to implement pulse shape (in addition to pulse height) discrimination-based scintillators further enhances the ability to detect diffracted neutrons with improved signal to noise ratio. In this paper, initial results associated with 6Li glass-based scintillator will be presented. The authors explored the feasibility of using this system to detect and quantify diffraction peaks and peak shifts at the Neutron Residual Stress Facility (NRSF2), High Flux Isotope Reactor (HFIR) in the Oak Ridge National Laboratory (ORNL). Suitable camera mounting and shielding had to be developed. Reference measurements using polycrystalline powders with known atomic planar spacing will be discussed along with measurement settings associated with expected resolution for peak shift measurements. Initial results are promising and demonstrate that a suitable scintillation-based neutron detecting system is viable for residual stress-based diffraction measurements. Small area detectors are also feasible with suitable consideration to scattering volume and distance to detector.

Seals, Matthew↗
DOE OSTI2020

Using Resin to Reduce Silica in Borated Fluid - 20072

The Electric Power Research Institute (EPRI) strongly recommends the concentration of silica in the reactor coolant be limited, potential ingress be carefully controlled, and frequently monitored to assess potential silica deposits on fuel cladding surfaces. Boraflex is a product with silicone rubber encasing a neutron absorber for criticality control, and it was installed in the majority of nuclear power plant spent fuel pools. Over time and in the presence of radiation, the silicone rubber lining degrades into silica (SiO{sub 2}) and hydrogen gas. Silica is somewhat soluble in water and spent fuel pool water communicates with other plant systems during refueling outages, leading to a buildup of silica in the reactor coolant and connected systems. Due to the prevalence of Boraflex racks in spent fuel pools, the presence of silica is a chronic nuclear industry concern. To address this concern, many nuclear plants have installed reverse osmosis skid systems to remove the silica from their spent fuel pools and, by extension, from reactor coolant. These skids are expensive to install and maintain. Arcadis personnel demonstrated that an iron-impregnated resin could be used to remove silica from borated systems without impacting the water quality. The resin was readily available, inexpensive, and easy to install in existing plant equipment. During a nuclear power plant's refueling outage the iron-impregnated resin proved to be effective in reducing the need for feed and bleed operations, with concurrent cost savings and reduction in required outage water management activities. Thus, the following savings were realized: - Eliminated the need to purchase, install, and maintain a reverse osmosis system avoiding more than $10 million in up-front capital cost and ongoing operating and maintenance costs. - Removed 9.57 kilograms (21 pounds) of silica dioxide from the primary system fluid. - Reduced the volume of feed and bleed from 70,000 gallons (2.65 E+05 liters) to 35,000 gallons (1.32 E+05 liters). - Saved $380,000 in water production and disposal costs. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Carbonation of Alkaline Earth Metal Hydroxides: Structure across Nano- to Mesoscales

The conversion of gaseous CO 2 into a solid constitution through mineralization is an active area of carbon capture, and alkaline earth metal hydroxides (M(OH) 2 , M = Ca 2+ , Mg 2+ ) are frontrunners in this area. As model systems, nanolime samples are excellent templates for the study of this reaction. Here, we have examined these under ambient pressure conditions with controlled humidity and CO 2 . Utilizing a broad range of analytical methods, we first established the purity and structures of the selected materials. We then examined the structural changes due to carbonation, using infrared spectroscopy, X-ray scattering, and neutron scattering. The resulting structural changes are resolved from nanoscale to mesoscale and from early-stage to late-stage carbonation. Ca(OH) 2 and Mg(OH) 2 are found to behave quite differently. As expected from prior work, the carbonation of Ca(OH) 2 is kinetically favored. Further, our structure studies suggest this is due to a facile reaction at the fractal interface of the particles. From early- to late-stage carbonation, there is a consistent increase in the fractal roughness. This is in contrast to Mg(OH) 2 where the same surface evolves into a smooth conformal coating. For this material the major reacting component is at the mesoscale, suggesting globular particle growth or evolving macro-porosity. Because neutron scattering is sensitive to hydrogen content, we expected a significant change as M(OH) 2 evolves to MCO 3 . Such a change is found for Ca(OH) 2 but not for Mg(OH) 2 , providing evidence for the formation of hydrated carbonates for the later material. The formation of a conformal layer along with water-rich carbonate formation is an impediment to the use of Mg(OH) 2 for carbon capture. For energy-efficient carbon capture, it would be desirable to enhance carbonation rates for Mg(OH) 2 , and one possible route would be the use of anhydrous fluids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Short-lived noble gas effluent trends from a research reactor

An understanding of anthropogenic sources of radioactive noble gases in the atmosphere is needed to enhance the discrimination ability of the International Monitoring System's sensors. These sources include commercial and research nuclear reactors and medical isotope production facilities. While abiding by local environmental ordinances these facilities all emit noble gas radioisotopes through normal operation. Here, this research presents measurements and analysis of noble gas isotopes ( 41 Ar, 135 Xe, 135m Xe, 137 Xe, 138 Xe, 87 Kr, 88 Kr, and 89 Kr) made directly at the stack of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory. The Xe and Kr noble gases are concurrently observed with 41 Ar, a neutron activation product, when the reactor is operational. The magnitude of the Xe and Kr noble gases released is not constant over the HFIR cycle, but they temporally match the 41 Ar trend. An isotope activity ratio analysis of these shorter lived isotopes combined with the observation of the cycle's temporal trend helps understand the noble gas production mechanism at the HFIR. Isotopes with short half-lives are not useful for long-range environmental monitoring. However, these measurements could potentially be combined with atmospheric modeling to predict the background source term of the longer-lived Xe ratios at a monitoring station.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Strain-induced majority carrier inversion in ferromagnetic epitaxial LaCo O 3 - δ thin films

Tensile-strained LaCoO 3-δ thin films are ferromagnetic, in sharp contrast to the zero-spin bulk, although no clear consensus has emerged as to the origin of this phenomenon. While magnetism has been heavily studied, relatively little attention has been paid to electronic transport, due to the insulating nature of the strain-stabilized ferromagnetic state. Here, structure, magnetism, and transport are studied in epitaxial LaCoO 3-δ films (10–22-nm thick) on various substrates (from 1.4% compressive to 2.5% tensile strain), using synchrotron x-ray diffraction, scanning probe and transmission electron microscopy, magnetometry, polarized neutron reflectometry, resistivity, and Hall effect. High quality, smooth films are obtained, exhibiting superstructures associated with both oxygen vacancy ordering and periodic in-plane ferroelastic domains. Consistent with prior work, ferromagnetism with an approximately 80–85 K Curie temperature is observed under tension; polarized neutron reflectometry confirms a relatively uniform magnetization depth profile, albeit with interfacial dead layer formation. Electrical transport is found to have similar semiconducting nature to bulk, but with reduced resistivity and activation energy. Hall effect measurements, however, reveal a striking inversion of the majority carrier type, from p-type in the bulk and under compression to n-type under tension. While thus far overlooked, ferromagnetism in epitaxial LaCoO 3-δ films is thus directly correlated with n-type behavior, providing important insight into the ferromagnetic state in this system. Here, aided by density functional theory calculations, these results are interpreted in terms of tensile-strain-induced orbital occupation and band structure changes, including a rapid decrease in effective mass at the e g -derived conduction band minimum, and corresponding increase at the valence band maximum.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Summary Report of the FY24 DOE Contributions to the GIF VHTR CMVB

The Generation-IV Forum (GIF) Very-High-Temperature Reactor-Computational Methods Validation and Benchmark (VHTR-CMVB) initiative, involving organizations from Korea Atomic Energy Research Institute (KAERI) (South Korea), Institute of Nuclear and New Energy Technology of Tsinghua University (INET) (China), U.S. Department of Energy (DOE) (U.S.), Joint Research Centre (JRC) (Europe), and Japan Atomic Energy Agency (JAEA) (Japan), is dedicated to the verification and validation of tools for High-Temperature Gas-Cooled Reactors (HTGRs) analysis, using data shared by Computational Methods Validation and Benchmark (CMVB) signatories. For FY24, the US DOE CMVB has committed to several critical activities. Under WP1, led by the US, the integration of the High Temperature Gas Cooled Reactor - Pebble-Bed Module (HTR-PM) Phenomena Identification and Ranking Table (PIRT) into the comparative PIRT is progressing, with a new draft of the comparison tables issued earlier this year and currently being utilized by INET for their contribution. Neutronic validation efforts under WP3 include the preparation of the burnup analysis benchmark, preliminary calculations, and the development of reference models and results. In WP2, a validation exercise for hot gas mixing in the lower plenum of HTR-PM is in progress, using experimental data from INET (China) to validate modeling approaches. A model of the experimental facility has been developed using StarCCM+, with initial calculations slated for presentation at the GIF CMVB meeting this fall. Another WP2 activity focuses on validating numerical models for air-cooled Reactor Cavity Cooling System (RCCS) with experimental data from the Wisconsin Madison RCCS facility. A high-fidelity model, developed using NEK-RS, is currently being validated with available data from a low power forced convection test. These efforts are aimed at enhancing and confirming the accuracy of HTGR analysis tools, ensuring their alignment with experimental data and regulatory requirements.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗