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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 OSTI2025

Angular-spectral filtering of recoil protons for optimization of fast neutron imaging employing proton converters

Fast neutron imaging is an important capability for diverse applications such as inertial confinement fusion diagnostics, cargo security, nuclear nonproliferation and arms control, and industrial inspection. Traditional phosphor image plates can be enhanced for fast neutron imaging using hydrogenous plastic converters which allow fast neutrons to scatter off hydrogen nuclei to produce energetic protons that can be recorded by the image plate. However, protons emitted by image plates are not constrained in their emission angle, which contributes to the blur of the resulting image. Here, we investigate two methods that can alter the spatial extent of converted protons that deposit energy in the image plate: reducing the converter thickness, and introducing a proton filter between the plastic converter and image plate to reduce the contribution of lower-energy, off-axis protons to the image. Here we determine the optimal plastic converter thickness for maximizing the signal intensity to be 2–3 mm through Monte Carlo simulations, and we benchmark this result against experimental measurements with a deuterium-tritium (DT) neutron generator. Next, we evaluate the image smearing and signal loss for various converters to show that solely reducing the converter thickness has the expected effect of reducing the blur from proton image smearing of the sharpness of an edge recorded on the image plate at the cost of reducing the signal intensity. The use of a proton filter is shown to achieve a similar improvement of edge sharpness as reducing the converter thickness while also sacrificing the signal intensity. We conclude that the use of proton energy filtering can improve the sharpness of fast neutron images in situations where the converter thickness cannot be reduced below some practical minimum. For more intense neutron sources, the signal intensity is of less concern, and optimizing the resolution of the image plate and therefore of the imaging system could have greater value. In these applications, proton filters may allow for improved fast neutron imaging measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Development of Ti 3 SiC 2 MAX phase tubular structures for solar receiver applications

Solar receiver tubes are key components of concentrating solar-thermal power (CSP) systems that harvest solar energy. For better efficiency, the Gen3 CSP receivers, which collect heat into a heat transfer fluid, require a temperature exceeding 700 °C during operation and need to perform under extreme conditions of high temperature and high thermal stress. Operators are seeking CSP designs using new high-temperature structural materials with high thermal conductivity and high creep resistance to achieve a design life of 30 years and thus help recover the plant capital cost sooner. MAX phase materials, which consist of an early transition metal element, an A-group element, and carbon or nitrogen, are expected to exhibit high creep resistance as well as high fracture toughness. Here, in this paper, we describe fabricating both (1) dense Ti 3 SiC 2 MAX phase disks and (2) short-length tubes using field-assisted sintering technology (FAST). First, the disk samples that we fabricated are fully dense and contain ≈90 % Ti 3 SiC 2 MAX phase materials and ≈10 % TiC phase materials. We determined a flexure strength of 519 ± 32 MPa by conducting a four-point bending test at room temperature with rectangular bar samples of ≈100 % density. The thermal conductivity of the Ti 3 SiC 2 MAX phase samples, measured by light flashing analysis, decreases linearly from a value of 41 W . m -1 . K -1 at room temperature to a value of 36 W . m -1 . K -1 at 650 °C. A solar reflectance measurement of the Ti 3 SiC 2 MAX phase revealed that, temperature increases from 400 to 1400 °C, thermal emittance increases from 0.39 to 0.49, while selectivity decreases from 1.8 to 1.4, respectively. Whereas the surface oxidized MAX phase samples after 100 h exposure to air at 1000 °C exhibit that of SiC. Next, we discuss fabrication of the crack-free Ti 3 SiC 2 MAX phase tubular structures accomplished by using FAST processing in graphite bedding. A Ti 3 SiC 2 MAX phase content of > 95 % with traceable ≈3% remaining TiC phase and ≈15 % porosity were demonstrated after high-temperature annealing. An average fracture strength of ≈250 MPa was determined with Ti 3 SiC 2 MAX phase tubes of ≈85 % density by diametral compression testing at room temperature. Our work demonstrated that using FAST processing to produce Ti 3 SiC 2 MAX phase tubular structures for CSP receiver applications is a viable approach.

14 SOLAR ENERGY↗
DOE OSTI2023

Radon Isotopes and Stable Water Isotopes from Coal Creek Watershed, Colorado (2021)

The radon isotope and stable water isotope data for Coal Creek Watershed, Colorado, consists of d2H, d18O, and 222Rn values from samples collected at 8 stream location along Coal Creek, samples from 7 groundwater springs within the watershed, and precipitation isotope samples collected by Next Generation Water Observing System (NGWOS) from a collector within the watershed. All stream and spring samples were collected between June and October, 2021, and precipitation isotope samples were collected between November 2020 and September 2021. These data were collected to evaluate how groundwater contributions to Coal Creek originating from a fractured hillslope and alluvial fan respond to summer monsoon rains and seasonal drying. Understanding of groundwater-surface water interactions in montane systems in critical for the future of water availability in the Western US as groundwater contributions are expected to become more important for sustaining summer stream flows. This data package contains: (1) a csv of all radon samples; (2) a csv of all stream and spring isotope samples; (3) a csv of precipitation isotope samples; and (4) a csv of locations for each sampling site. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Evaluation of Steam Cycle Upgrades to Improve the Competitiveness of U.S. Coal Power Plants (Final Scientific / Technical Report)

Increasing the competitiveness of the existing pulverized-coal utility fleet in the United States may be achieved by decreasing heat rate, via increases in steam cycle efficiency through upgraded steam temperatures and use of latest technology available in steam turbine and blading design. The average net plant efficiency of the US coal-fired fleet is approximately 33% (HHV). Plant efficiency increases to approximately 41.4% (HHV) at 1,350°F (732°C) steam temperature. However, achieving these Advanced Ultra-Super Critical (AUSC) steam conditions requires the use of advanced high-temperature materials. While there has been a significant amount of DOE-funded materials R&D, most of the related design work has focused on new (greenfield) units, rather than on opportunities to retrofit this advanced technology to the existing utility fleet. If technology, based upon the advanced materials required for AUSC steam conditions, may be applied to the existing fleet, using an economically viable retrofit, a higher capacity factor can be expected as a result of the increased plant competitiveness. The Electric Power Research Institute (EPRI) was awarded a project by the US Department of Energy to examine the technical and economic feasibility of a series of steam cycle upgrades to the two most prevalent types of U.S. coal power plants: 2,400 psig (16.6 MPa) subcritical and 3,500 psig (24.1 MPa) supercritical pulverized coal units. The nine upgrade options that were originally being considered included increasing the main and reheat steam temperatures from 1,000°F (538°C) to 1,100°, 1,200°, and 1,350°F (593°C, 649°C, and 732°C) while holding the steam pressures constant at their original design values, and cases where just the main steam or reheat steam temperatures were increased. The objective was to minimize the modifications required to the existing power plant while still providing a significant improvement in heat rate. The upgrade options assumed that the boiler enclosure envelope remained unchanged from each base case, and that all applicable OEM design guidelines for normal commercial units were imposed. For the highest temperature supercritical case, an option of using a low-pressure molten salt loop to transfer heat from the furnace to the steam was examined. The first major task of the work scope was designed to examine the technical feasibility of various upgrade options, while the subsequent work determined economic viability of the technically feasible upgrade options. Prior to evaluating the effect of these increased temperatures, a “base case” model of a subcritical and supercritical PC boiler was created, which was used for comparative purposes. Upgrade options were evaluated at full-load, part-load and dynamic transient conditions. Once the technical feasibility of each upgrade option was evaluated, the economic value of the heat rate improvement of each feasible option was determined by detailed modeling of unit dispatch in several regional power markets. The dispatch model was used to estimate the amount of revenue from power sales the upgraded unit would receive in comparison to a non-upgraded version of the same power plant. As a parallel task to the dispatch analysis, the capital cost of implementing the upgrades was estimated. The capital cost estimates were then compared to the increased revenue estimated by the dispatch modeling to determine the economic attractiveness of each upgrade option. Several upgrade options were determined to be technically feasible. The net present value (NPV) of the costs for steam cycle upgrades considered in this study ranged from approximately $\$$111 to $\$$130 million. The economic modeling results show that the unit dispatch changes resulting from steam cycle upgrades are relatively small, due largely to heat rate (and operating cost) changes being relatively small. Additionally, the cost of each upgrade exceeds the net revenue increases associated with the upgrade case. Note that the breakeven values are higher for subcritical retrofits, but the capital costs for the subcritical upgrades are also slightly higher. In typical new pulverized coal plants, fuel accounts for approximately 25% of the cost of electricity (COE), while capital costs represent around 50% of the COE. Therefore, in order to improve the heat rate by 4% one can only afford to increase the capital cost by 2%, at the same cost of electricity. The conclusion of this study is that without a cost for emitting CO 2 , it will be difficult to pay for significant efficiency improvements on plants firing low cost coals.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Parton distribution function uncertainties in theoretical predictions for far-forward tau neutrinos at the Large Hadron Collider

New experiments dealing with neutrinos in the far-forward region at the Large Hadron Collider (LHC) are under design or already in preparation. Two of them, FASERν and SND@LHC, are expected to be active during Run 3 and have the potential to detect the interactions of ν and $\bar {v}$ that come from high-energy collisions in one of the LHC interaction points, extracted along the direction tangent to the beam line. Tau neutrinos and antineutrinos come predominantly from $D^{±}_{s}$ production in pp collisions, followed by the leptonic decay of these mesons. Neutrino pseudorapidities in the range of η > 6.9 and η > 8.9 are relevant to these future experiments. At such pseudorapidities at high energies, QCD theoretical predictions for the flux of ν τ plus $\bar {v}_τ$ rely on parton distribution functions (PDFs) in a combination of very small and large parton–x values. We evaluate PDF un certainties affecting the flux of ν τ + $\bar {v}_τ$ produced by $D^{±}_{s}$ decay in the far forward region at the LHC. Next-to-leading order (NLO) QCD uncertainties are included in the calculation of $D^{±}_{s}$ production and NLO PDF sets are used for consistency. The theoretical uncertainty associated with the 40 PDF sets of the PROSA19 group amounts to ±(20 – 30)% for the (ν τ + $\bar {v}_τ$) number of charged-current (CC) events. Scale uncertainties are much larger, resulting in a range of CC event predictions from ~70% lower to ~90% higher than the central prediction. A comparison of the predictions with those obtained using as input the central PDFs from the 3-flavour NLO PDF sets of the CT14, ABMP16 and NNPDF3.1 collaborations show that far-forward neutrino energy distributions vary by as much as a factor of ~2 – 4 relative to the PROSA19 predictions at TeV neutrino energies. The Forward Physics Facility in the high luminosity LHC era will provide data capable of constraining NLO QCD evaluations with these PDF sets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Background independent quantum field theory and gravitating vacuum fluctuations

The scale dependent effective average action for quantum gravity complies with the fundamental principle of Background Independence. Ultimately the background metric it formally depends on is selected self-consistently by means of a tadpole condition, a generalization of Einstein’s equation. Self-consistent background spacetimes are scale dependent, and therefore “going on-shell” at the points along a given renormalization group (RG) trajectory requires understanding two types of scale dependencies: the (familiar) direct one carried by the off-shell action functional, and an equally important indirect one related to the continual re-adjustment of the background geometry. This paper is devoted to a careful delineation and analysis of certain general questions concerning the indirect scale dependence, as well as a detailed explicit investigation of the case where the self-consistent metrics are determined predominantly by the RG running of the cosmological constant. Mathematically, the object of interest is the spectral flow induced by the background Laplacian which, on-shell, acquires an explicit scale dependence. Among other things, it encodes the complete information about the specific set of field modes which, at any given scale, are the degrees of freedom constituting the respective effective field theory. For a large class of RG trajectories (Type IIIa) we discover a seemingly paradoxical behavior that differs substantially from the off-shell based expectations: A Background Independent theory of (matter coupled) quantum gravity looses rather than gains degrees of freedom at increasing energies. As an application, we investigate to what extent it is possible to reformulate the exact theory in terms of matter and gravity fluctuations on a rigid flat space. It turns out that, in vacuo, this “rigid picture” breaks down after a very short RG time already (less than one decade of scales) because of a “scale horizon” that forms. Furthermore, we critically reanalyze and refute the frequent claim that the huge energy densities one obtains in standard quantum field theory by summing up to zero-point energies imply a naturalness problem for the observed small value of the cosmological constant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Antiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists

As part of our effort to discover drugs that target HIV-1 entry, we report the antiviral activity and crystal structures of two novel inhibitors in a complex with a gp120 core. NBD-14204 showed similar antiviral activity against all the clinical isolates tested. The IC50 values were in the range of 0.24–0.9 µM with an overall mean of 0.47 ± 0.03 µM, showing slightly better activity against the clinical isolates than against the lab-adapted HIV-1 HXB2 (IC 50 = 0.96 ± 0.1 µM). Moreover, the antiviral activity of NBD-14208 was less consistent, showing a wider range of IC 50 values (0.66–5.7 µM) with an overall mean of 3 ± 0.25 µM and better activity against subtypes B and D (Mean IC 50 2.2–2.5 µM) than the A, C and Rec viruses (Mean IC 50 2.9–3.9 µM). SI of NBD-14204 was about 10-fold higher than NBD-14208, making it a better lead compound for further optimization. In addition, we tested these compounds against S375Y and S375H mutants of gp120, which occurred in some clades and observed these to be sensitive to NBD-14204 and NBD-14208. These inhibitors also showed modest activity against HIV-1 reverse transcriptase. Furthermore, we determined the crystal structures of both inhibitors in complexes with gp120 cores. As expected, both NBD-14204 and NBD-14208 bind primarily within the Phe43 cavity. It is noteworthy that the electron density of the thiazole ring in both structures was poorly defined due to the flexibility of this scaffold, suggesting that these compounds maintain substantial entropy, even when bound to the Phe43 cavity.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

ThAu 2 – , ThAu 2 O – , and ThAuOH – anions: Photoelectron spectroscopic and theoretical characterization

The thorium–gold negative ions ThAu 2 – , ThAu 2 O – , and ThAuOH – have been observed and experimentally characterized by anion photoelectron spectroscopy. These experiments are accompanied by extensive ab initio electronic structure calculations using a relativistic composite methodology based primarily on coupled cluster singles and doubles with perturbative triples calculations. The theoretical electron affinities (EAs) at 0 K agree with the experimental adiabatic EAs to within 0.02 eV for all species. Two separate isomers were located in the calculations for ThAuOH – , and detachment from both of these appears to be present in the photoelectron spectrum. Excited electronic states of the neutral molecules are reported at the equation of motion-coupled cluster singles and doubles level of theory. Atomization energies and heats of formation are also calculated for each neutral species and have expected uncertainties of 3 and 4 kcal/mol, respectively. The σ bonds between Th and Au are determined by natural bond orbital analysis to consist of predominately sd hybrids on Th bonding with the Au 6s orbital. In order to investigate the correspondence between the bonding in Th–Au and Th–F molecules, a limited number of calculations were also carried out on most of the F-analogs of this study. These results demonstrate that Au does behave like F in these cases, although the Th–F σ bonds are much more ionic compared to Th–Au. This results in an EA for ThF 2 that is 10 kcal/mol smaller than that of ThAu 2 . The EA values for the Th(IV) species, i.e., ThX 2 O and ThXOH, only differed, however, by 3–4 kcal/mol.

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

Pressure-driven tearing and thermal transport in finite-beta reversed field pinch computations

In this work, nonlinear resistive-magnetohydrodynamics (MHD) computation with heating and anisotropic transport is applied to examine the interaction between thermal energy and magnetic fluctuations in inductively driven reversed-field pinches (RFPs). The magnetic fluctuations underlie magnetic field reversal through dynamo-like correlations, and they enhance thermal energy transport through fluctuations of parallel heat flux density. With the unfavorable magnetic curvature that exists across the RFP profile, thermal energy also affects the magnetic fluctuations. Computations with the NIMROD code [Sovinec et al., J. Comput. Phys. 195, 355–386 (2004)] integrate nonlinear MHD dynamics with energy transport and reproduce an RFP state with experimentally relevant values of plasma-β. Equilibria constructed from results of the 3D computations are analyzed to assess the sources of free energy in the saturated nonlinear state. Linear computations for these profiles show unstable modes of tearing parity. Their eigenfunctions are used to evaluate and compare stabilizing and destabilizing contributions to the kinetic energy integral. An assessment of the drives in the integral reveals that the pressure gradient drive is of comparable magnitude to the parallel current drive, and only the sum of the two surpasses the stabilizing contributions. Correlation of magnetic and parallel heat flux density fluctuations in the nonlinear computations shows that fluctuation-induced thermal conduction is the dominant mode of energy loss, as expected from experimental evidence. Decomposition of the fluctuating heat flux density shows that second-order correlations, alone, do not explain the total energy transport. Higher-order correlations are also important.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Critical fluid dynamics in two and three dimensions

We describe a numerical method for simulating stochastic fluid dynamics near a critical point in the Ising universality class. This theory is known as model H, and is expected to govern the nonequilibrium dynamics of quantum chromodynamics (QCD) near a possible critical endpoint of the phase transition between a hadron liquid and the quark-gluon plasma. The numerical algorithm is based on a Metropolis scheme, and automatically ensures that the distribution function of the hydrodynamic variables in equilibrium is independent of the transport coefficients and only governed by the microscopic free energy. We verify dynamic scaling near the critical point of a two and three-dimensional fluid and extract the associated critical exponent z. Here, we find z≃3 in three dimensions, and z≃2 for a two-dimensional fluid. In a finite system, we observe a crossover between the mean field value z=4 and the true critical exponent z≃3 (z≃2 in d=2). This crossover is governed by the values of the correlation length and the renormalized shear viscosity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Laboratory-Scale Coal-Derived Graphene Process (Final Report)

The Energy & Environmental Research Center (EERC) conducted a laboratory-scale coal-derived graphene (CDG) project focused on developing a technological process for making graphene from four U.S. domestic coal or coal wastes, including lignite from North Dakota, subbituminous coal from Wyoming, bituminous coal from Utah, and anthracite from Pennsylvania. The project was divided into two performance or budget periods (BPs), with BP1 comprising the up-front laboratory experiments to make graphene materials from coal beginning on May 1, 2020, to April 30, 2022. BP2 was conducted from May 1, 2022, to April 30, 2023, and was focused on analyzing the CDG process economic feasibility and the technical gaps for technological scale-up and commercialization. During this project, a few different coal-derived high-value products have been demonstrated, including graphite, graphene oxide (GO), reduced graphene oxide (rGO), and graphene quantum dots (GQDs). A new graphite microstructure was discovered and named “croissant graphite” because of the exterior morphological and textural resemblance to croissant food items sold in commercial groceries stores. The new graphite structure and the associated preparation from coal or coal waste feedstocks has been the subject of a U.S. patent application. The systematic experimental processes involving coal cleaning, upgrading, and conversion to high-value carbon products culminated into a developed upgraded coal-to-products (UCP) technology that is being pursued for potential fast-track commercialization, if funding is available. It is envisioned that commercialization of the UCP technology would increase consumption of U.S. domestic coals or coal wastes to make environmentally sustainable high-value products for the electronics industry, high-energy-storage applications, and clean energy technologies such as electric vehicle (EV) lithium-ion batteries (LIBs), for which graphite has become a critical mineral commodity. Croissant graphite microstructures, when observed by field emission scanning electron microscopy (FESEM), display wavy surface morphology and often grow from a base that is made of graphitized particles with honeycomb-like layers, which are believed to be graphene layers. While more studies are needed to fully ascertain the mechanisms of the croissant graphite microstructure formation, it is postulated that their growth may begin from curling of the graphene sheets into ribbon-like structures, and continuous growth and densification of the ribbon-like structures forms croissant microstructures. Additional studies are ongoing to evaluate the electrochemical performance of croissant graphite for LIB applications and to determine the experimental conditions necessary to tune on/off croissant formation so that it can be either optimized or suppressed depending on performance evaluation results. In addition to the discovery of croissant graphite, the graphitization process from the four coal ranks in general was successful. X-ray diffraction (XRD) analysis showed that the degree of graphitization (DoG) ranged from 12% to 80% in an early sample set, and further optimization on lignite coal produces a DoG of about 92%, which was spectacular to see as lignite is the lowest-rank coal. Thus, it is expected that the graphitization performance for higher-rank coals will be similar or better when optimized as well. The coal-derived graphite was used to make GO and rGO. Analytical characterization, e.g., by methods such as Raman spectroscopy, XRD, Fourier transform infrared (FTIR) spectroscopy and FESEM, showed that the sequence of converting the coal to graphite, exfoliating it to GO, and then chemically reducing the GO to rGO was successful. Although coal naturally contains aromatic compounds and some relatively small-sized condensed aromatic units, it does not contain graphene sheets. In the UCP process, the aromatic domains in the coals, particularly low-rank coals, are concentrated and condensed further into graphene sheets, which are ordered into a 3D stack during graphitization. The synthesized graphite is then unpacked by methods such as exfoliation to various graphene products. GQDs were synthesized from all four coal types, and their optical properties were demonstrated to be tunable by the coal precursor preprocessing treatments. In all four coal types, enhanced optical properties were observed for the produced GDQs with incremental improvements made to the coal precursors. GQDs produced from raw coal samples displayed lower ultraviolet–visible (UV–Vis) spectroscopy absorbance intensity compared to those obtained from cleaned and upgraded coal residues. The photoluminescence (PL) intensities also varied with pretreatment conditions and with the concentration of GQDs in aqueous solutions. GQDs obtained from anthracite show longer emission wavelengths and can be excited by visible light as opposed to GQDs derived from the other coal ranks. UV fluorescence 3D maps and spectra revealed that the emission wavelength at which the GQDs solutions display the highest intensity was slightly redshifted based on the coal precursor pretreatments. In low-rank coal (lignite and subbituminous) samples, two clusters were observed in the maps for GQDs, which may suggest that there are potentially two types of fluorophores in solution or two main size populations. The ability to tune the properties of GQDs based on processing methods can be exploited to make GQDs for various optical display or optoelectronics applications. The results also highlight the importance of removing coal-borne impurities to improve the quality of the coal precursor for preparation of graphene products. Coal and/or coal wastes preprocessing methods were developed and applied to clean and upgrade the coal precursors prior to graphitization and subsequent conversion to graphene products. The preprocessing methods involve high specific-gravity separations, mineral acid cleaning (no hydrofluoric acid), and subsequent upgrading by reducing the coal-borne heteroatom (nitrogen, sulfur, and oxygen) content using proprietary chemical agents. Analytical characterization revealed that the preprocessing steps were successful, with ash reductions that range from 38% to 80% and residual ash content that was below the 5 wt% initial target. Based on proximate and ultimate analysis, the heteroatom reduction reactions produced upgraded coal residues with the oxygen content reduced by 8% to 24%, with additional reductions in the nitrogen and sulfur contents. An initial assessment of the waste streams from the UCP process shows very small to negligible environmental impact due to CO 2 , NO x , and SO x because most process steps are performed under inert atmosphere with argon. Consequently, reactive oxygen environments that tend to create these species are avoided. The inorganic and potentially hazardous species are released into aqueous waste streams that are easy to handle for proper disposal. The liquid waste streams were found to contain low-level concentrations of rare-earth elements (REEs), which could be concentrated and recovered as value-added by-products. Additionally, the volatile and gaseous fractions from carbonization and heat treatment contain useful organic compounds that can also be recovered as potential valuable by-products. Thus, the UCP technology is considered an environmentally sustainable and promising emerging technology for making high-value products from coal and coal wastes, with potential additional value-added by-products. Analysis of potential markets for the coal-derived carbon products shows a strong demand in both niche market sectors and across a wide variety of other industrial sectors. Graphite is currently considered a critical mineral commodity that has a large and growing demand in the LIB industry for EV applications. Based on data from Fortune Business Insights (2022) and Marketwatch (2023) reports, the average global graphite market is projected to reach about 33 billion by 2028, growing at a compound annual growth rate (CAGR) of about 7%, with much of this growth expected to be in the LIB industry. GO and rGO have strong market potentials in various application areas, such as coatings for anticorrosion, anti-icing, and antimicrobial protection, thermal barriers, wear resistance, sensors, additive manufacturing such as 3D inks, and others. GQDs are the emerging key player in the bioimaging, photovoltaics, and light-emitting diodes (LEDs) applications, with the potential to replace traditional semiconductor quantum dots (SQDs), which are based on metallic systems that are more toxic and more expensive. Biomedical applications of GQDs are becoming more attractive because of low to no toxicity and extremely low cost compared to SQDs. The major challenges for scale-up and commercialization of coal-derived carbon products such as graphene vary from the inherent attributes of graphene itself to reluctance to accept graphene in new manufacturing processes because of the uncertainty of the unknown. The 2D nature of graphene materials with a thickness of one atom presents significant challenges to proper handling/processing, and process scale-up becomes difficult because it requires high-end, expensive equipment, even for routine handling and analysis for quality assurance and control. Pristine graphene can also be extremely difficult to work into other matrices, thus hindering downstream processibility, especially at large scale. Currently, the cost of graphene and graphene products is still high and presents an economic risk that tends to slow down investment in scaling up emerging technologies. The lack of a standard for graphene materials for quality assurance and quality control poses a great challenge not only for the markets but also for commercialization efforts. A first-look economic feasibility analysis of the UCP technology provided valuable information that suggests the UCP process would be feasible, especially when it is scaled to a pilot scale and could be more competitive at the full scale. Graphitization was found to be the most energy-consuming and most capital-intensive step in the overall process. In small laboratory- and bench-scale experiments, labor is a significant contributor to the total process costs. Although these energy, capital, and labor constraints contribute to a higher selling price for the product, a preliminary economic model suggests that the process would be feasible at large scale when the process is fully integrated, optimized, and automated.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

A Systematic Evidence Based Performance Approach to Regulation of Nuclear Sites in England and Wales - 20058

The Environment Agency for England has developed a systematic evidence-based approach to pursue our strategic environmental objectives for the regulation of nuclear sites. We use an annual evidence review process to ensure effective and efficient targeting of limited resources to achieve those objectives. Over the last 8 years, we have been developing and refining this approach to ensure risk-based and value driven regulation. The approach comprises nuclear site and nuclear sector review processes known as Site Environment Review (SER) and Nuclear Environment Review (NER). This approach complements our regulation of nuclear site permit holders under the Environmental Permitting Regulations (EPR). We deliver our regulation of nuclear sites in England and Wales alongside the Office for Nuclear Regulation. The SER process involves the lead regulator for each nuclear site assessing the permit holder's environmental performance across 14 themes, set within the context of the site's main activities and associated waste disposals. Our themes include environmental leadership, resources and climate change, radioactive waste management, facility management and decommissioning, groundwater, and environmental radiological protection. We use evidence from site inspections and working within our subject matter groups to grade current and predicted future environmental performance. We are particularly interested in sustainability and the application of Best Available Techniques (BAT) to prevent the creation, and minimise the disposal, of radioactive wastes. We use risk analysis (strengths, weaknesses, threats and opportunities) to examine performance against our strategic environmental objectives, which are set out, in our 5-year Nuclear Delivery Plan (NDP). The output supports the targeting of our resources at each nuclear site. We consult the relevant permit holders on the SER priorities and use their feedback to refine our plans. We expect all permit holders to take account of our priorities when considering their own programmes of work, objectives and plans. The NER process brings together what we learn and achieve through regulation across the sector. It provides input to planning priorities, supported by qualitative and semi-quantitative evidence. It covers the 28 nuclear sites in England and Wales and spans the same 14 environmental themes. During the process we collate, compile and summarise evidence from the SERs and other sources such as inspection reports and evidence from our other nuclear work programmes. The output is the NER annual report. This provides a snapshot of the status of the nuclear sector and gives insights to enable us to regulate more efficiently and effectively. It also takes account of cross-cutting issues and risks such as changes in international standards, domestic policy, regulatory framework, domestic standards and guidance, learning from experience such as incidents, events and good practice, and innovation, research and development. It provides graphics that illustrate the grading of environmental performance for the nuclear sector across the fourteen environmental themes. This analysis allows benchmarking of nuclear site's environmental performance and the visualisation provides a convenient comparison of performance across themes, sites, and over time. We use this intelligence to inform our investment in training and development of our staff, and our cross-cutting engagement on strategic issues with government, the Nuclear Decommissioning Authority (NDA) and other corporate organisations. Adopting this approach can provide benefits with organisational reputation, stakeholder participation and ensuring value from the public investment. This paper describes the history of the SER/NER process, a selection of outputs from the process and ideas for improvement. The paper will be of interest to other regulators and organisations across the world that are interested in supporting continuous improvement. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Dynamics of episodic supershear in the 2023 M7.8 Kahramanmaraş/Pazarcik earthquake, revealed by near-field records and computational modeling

Abstract The 2023 M7.8 Kahramanmaraş/Pazarcik earthquake was larger and more destructive than what had been expected. Here we analyzed nearfield seismic records and developed a dynamic rupture model that reconciles different currently conflicting inversion results and reveals spatially non-uniform propagation speeds in this earthquake, with predominantly supershear speeds observed along the Narli fault and at the southwest (SW) end of the East Anatolian Fault (EAF). The model highlights the critical role of geometric complexity and heterogeneous frictional conditions in facilitating continued propagation and influencing rupture speed. We also constrained the conditions that allowed for the rupture to jump from the Narli fault to EAF and to generate the delayed backpropagating rupture towards the SW. Our findings have important implications for understanding earthquake hazards and guiding future response efforts and demonstrate the value of physics based dynamic modeling fused with near-field data in enhancing our understanding of earthquake mechanisms and improving risk assessment.

Environmental Sciences & Ecology↗
DOE OSTI2026

Mass dependence of halo baryon fractions from the kinetic Sunyaev–Zeldovich effect

ABSTRACT We detect the kinetic Sunyaev–Zeldovich imprint of peculiar motions of galaxy groups and clusters, using the photometric Dark Energy Spectroscopic Instrument Legacy Surveys together with cosmic microwave background (CMB) maps from the Atacama Cosmology Telescope (ACT). We develop a comprehensive forward model based on the AbacusSummit cosmological simulations: Mock galaxy group catalogues and synthetic kinetic Sunyaev–Zeldovich (kSZ) maps are generated, together with a reconstructed peculiar velocity field that allows for photo-z errors, redshift-space distortions, and survey masks. We investigate possible contamination from the cosmic infrared background (CIB), finding that CIB effects are subdominant to the kSZ signal in the relevant ACT frequency channel. We then predict the kSZ signal expected when stacking CMB temperature maps around groups, taking account of their estimated radial velocities. Comparing the model with observations, we are able to constrain the total baryon fraction within haloes, as well as their internal gas profiles. We find evidence for mass dependence of the halo baryon fraction within the virial radius. The gas fraction in massive groups is consistent with the universal baryon fraction, but low-mass groups ($10^{12.5} \lesssim M\, /\, h^{-1}\, \mathrm{M}_\odot \lesssim 10^{14}$) are depleted to $0.38 \pm 0.11$ times the universal baryon fraction. We find this low virial baryon fraction to be consistent with an extended gas profile, for which the total baryon content reaches the universal value well beyond the virial radius. This conclusion is consistent with previous analyses using X-ray, kSZ, and weak lensing, and plausibly reflects energetic feedback processes from the galaxies in these haloes.

Roper, Finn A [Institute for Astronomy, University↗
DOE OSTI2023

Cosmological forecasts for future galaxy surveys with the linear point standard ruler: Toward consistent BAO analyses far from a fiducial cosmology

The linear point (LP) standard ruler was identified as the basis of a purely geometric method for exploiting the baryon acoustic oscillations (BAO). The LP exploits the BAO feature imprinted in the galaxy two-point correlation function to measure cosmological distances independent of any specific cosmological model. We forecast the expected precision of future and ongoing spectroscopic galaxy surveys to measure distances leveraging the linear point. We investigate the cosmological implications of our forecasted results. We focus in particular on a relevant working example: the detection of the late-time cosmic acceleration independent of other cosmological probes. Further, our findings show that, even within the Λ⁢CDM standard cosmological paradigm, estimated distances need to be reliable over a very wide parameter range in order to realize their maximum utility. This is particularly relevant if we aim to properly characterize cosmological tensions. The LP is a promising candidate approach to achieve this reliability. In contrast, widely employed procedures in BAO analysis estimate distances keeping fixed cosmological parameters to fiducial values close to cosmic-microwave-background constraints in flat-Λ⁢CDM. It is unclear whether they are purely geometric methods. Moreover, they rely on untested extrapolations to explore the parameter space away from those fiducial flat-Λ⁢CDM values. We recommend that all BAO methodologies be validated across the full range of models and parameters over which their results are quoted, first by means of linear predictions and then N -body simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

One-Step Ahead Prediction of Thermal Mixing Tee Sensors with Long Short Term Memory (LSTM) Neural Networks

High-temperature advanced reactors under development, such as sodium fast reactors (SFR) and molten salt cooled reactors (MSCR), are expected to offer lower levelized cost of energy (LCOE) compared to existing light water reactor (LWR’s). In the existing light water reactors (LWR’s), operation and maintenance (O&M) expenses constitute the largest fraction of the total operating cost. Some of the O&M costs are related maintenance of sensors which can fail due to exposure to harsh environment in a reactor. The O&M costs of Advanced Reactor (AR)’s are expected to constitute a significant fraction of the total cost as well, because of high temperature and radiation level in AR are likely to cause material fatigue and premature failure of sensors and components. The O&M costs in AR’s could be reduced through integration of advanced informatics of performance-related sensors into a digital twin designed for reactor monitoring. For example, machine learning (ML) could be employed for real-time validation and correction of performance-related sensors, and reducing the number of performance-related physical sensor units through virtual sensing. As part of the effort, we investigate real-time validation of thermal hydraulic sensors through one-step ahead forecasting of sensor values using long short-term memory (LSTM) recurrent neural networks (RNN). The sensors are installed in a flow loop containing a thermal mixing tee, which is a common experimental model to study thermal fatigue in a thermal hydraulic loop. In addition, nonlinear transients generated in a thermal mixing tee constitute a good challenge data set for training and validation of ML algorithms. Sensors in this study include thermocouples, flow meters, and optical fibers for distributed temperature sensing. In one experiment, measurement data sets were obtained for a loop was filled with water, and in another experiment, measurements were performed on a loop filled with liquid metal Galinstan. We have also conducted preliminary investigation of one-step ahead prediction of fiber optics-based distributed temperature sensing with LSTM networks. In predicting fiber-based temperature measurements, we treated each gauge pitch of the fiber as an independent sensor. Accuracy of one-step ahead forecasting was estimated by calculating root mean square error (RMSE) for the test segment of time series of each sensor. RMSE’s for temperature sensors in water loop were, for the most part, lower than for the same sensors in Galinstan loop. The RMSE’s for flow meters were similar for both loops. The RMSE’s for distributed temperature measured with the fiber optic sensor were similar to those of the point sensors. Results of this study demonstrated the capability of LSTM one-step ahead forecasting with RMSE comparable to uncertainty in sensor measurements.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Post-irradiation Examination of Eurofer-97 Steel Irradiated to 20 dpa at 200–400°C in HFIR under the EUROfusion (ORNL-KIT) Collaboration Program

The Oak Ridge National Laboratory/Karlsruhe Institute of Technology (ORNL/KIT) collaboration focuses on research involving irradiation experiments and post-irradiation examinations (PIE) of isotopically modified Eurofer-97 steels for fusion reactor applications. This collaboration capitalizes on ORNL’s expertise in radiation effects on materials and its capabilities in irradiation and PIE. The research aims to qualify Fe-9Cr-based Eurofer-97 steel under simulated fusion conditions, which include high doses and high transmutation rates. A unique isotopic modification technique is utilized in the research, wherein high-transmutation isotopes such as Fe-54 and Ni-58 are alloyed into the Eurofer steel to align with the expected helium production rates in fusion reactor conditions. This report presents the results of post-irradiation mechanical testing activities for the EUROFER-97/2 specimens after irradiation to ~20 dpa at various irradiation temperatures. The irradiation doses and temperatures for the ES capsules ranged from 18.4–20.4 dpa and 202–256°C, respectively. The mechanical property datasets, obtained through baseline testing and PIE of the tensile and fracture specimens, include microhardness data from 93 irradiated and non-irradiated tensile specimens and 28 irradiated bend bar specimens, uniaxial tensile property data from 45 irradiated and non-irradiated tensile specimens, and fracture toughness data from the bend bar specimens. Further data analyses provide statistical information on the microhardness values and tensile properties, as well as the reference ductile-brittle transition temperature (T 0 ) data.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Bypassing Energy Barriers in Fiber-Polymer Torrefaction

The amount of waste generation has been increasing with a significant amount being landfilled. These non-recyclable wastes contain large number of fiber and plastic wastes which can be treated with thermal processes to turn them into energy sources since they have high calorific values, are abundant and usually tipping fees are paid to handle them. This paper studied the torrefaction of non-recyclable paper (fiber) wastes, mixed plastic wastes (MPW) and their blends at different ratios in the temperature range of 250–400°C through thermogravimetric analysis (TGA). The solid residues after the experiments were analyzed by nuclear magnetic resonance (NMR) spectroscopy. Significant synergy between fiber and MPW were observed at the range 250–300°C, showing both increase in the reaction rate as well as the overall mass loss. At 250°C, the maximum mass loss rate was more than two times higher and the mass loss at the end of the experiments were also much higher compared to the expected results. In addition, synergy was weakened with an increase of temperature, disappearing at 400°C. The existence of such interactions between fiber and plastic wastes indicates that the natural energy barriers during the individual torrefaction in paper waste or plastic waste could be bypassed, and the torrefaction of fiber and plastic blend can be achieved at lower temperatures and/or shorter residence times. The MPW and fiber wastes were also compounded by extrusion (to produce pellets) at 220°C with different blend ratios. The fiber-MPW pellets from extrusion were characterized by IR spectroscopy, rheology, thermal analysis and flexural properties and showed significant chemical changes from the non-extruded blends at the same ratios. From IR characterization, it was found that there was significant increase in hydroxyl (OH) group on account of the carbonyl (C = O) and etheric (C-O-C) groups. The interaction between paper and MPW can be attributed to the plastic polymers acting as a hydrogen donor during the reactive extrusion process. Synergistic effects were also found from mechanical and rheological properties.

09 BIOMASS FUELS↗