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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 OSTI2024

Observation-constrained kinetic modeling of isoprene SOA formation in the atmosphere

Isoprene has the largest global non-methane hydrocarbon emission, and the oxidation of isoprene plays a crucial role in the formation of secondary organic aerosol (SOA). Two primary processes are known to contribute to SOA formation from isoprene oxidation: (1) the reactive uptake of isoprene-derived epoxides on acidic or aqueous particle surfaces and (2) the absorptive gas–particle partitioning of low-volatility oxidation products. In this study, we developed a new multiphase condensed isoprene oxidation mechanism that includes these processes with key molecular intermediates and products. The new mechanism was applied to simulate isoprene gas-phase oxidation products and SOA formation from previously published chamber experiments under a variety of conditions and atmospheric observations during the Southern Oxidant and Aerosol Studies (SOAS) field campaign. Our results show that SOA formation from most of the chamber experiments is reasonably reproduced using our mechanism, except when the concentration ratios of initial nitric oxide to isoprene exceed ~ 2, the formed SOA is significantly underpredicted. The SOAS simulations also reasonably agree with the measurements regarding the diurnal pattern and concentrations of different product categories, while the total isoprene SOA remains underestimated. The molecular compositions of the modeled SOA indicate that multifunctional low-volatility products contribute to isoprene SOA more significantly than previously thought, with a median mass contribution of ~ 57 % to the total modeled isoprene SOA. However, this contribution is intricately intertwined with IEPOX-derived SOA (IEPOX: isoprene-derived epoxydiols), posing challenges for their differentiation using bulk aerosol composition analysis (e.g., the aerosol mass spectrometer with positive matrix factorization). Furthermore, the SOA from these pathways may vary greatly, mainly dependent on the volatility estimation and treatment of particle-phase processes (i.e., photolysis and hydrolysis). Our findings emphasize that the various pathways to produce these low-volatility species should be considered in models to more accurately predict isoprene SOA formation. The new condensed isoprene chemical mechanism can be further incorporated into regional-scale air quality models, such as the Community Multiscale Air Quality Modelling System (CMAQ), to assess isoprene SOA formation on a larger scale.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Citric acid-assisted accumulation of Ni and other metals by Odontarrhena muralis: Implications for phytoextraction and metal foliar distribution assessed by μ-SXRF

Odontarrhena muralis is one of the most promissing plant species for Ni phytomining, and soil amendments can further increase its Ni phytoextraction ability. Here we investigated whether Ni phytomining/phytoremediation using this Ni hyperaccumulator can benefit from applying citric acid to a serpentine soil that is naturally enriched in Ni (>1000 mg kg -1 ). Synchrotron micro X-ray fluorescence (μ-SXRF) was used to image Ni and other metal distributions in whole fresh leaves of O. muralis. Leaf Ni accumulation in plants grown on citric acid-amended soil increased up to 55% while Co, Cr, Fe, Mn, and Zn concentrations were 4-, 14-, 6-, 7- and 1.3-fold higher than the control treatment. O. muralis presented high bioconcentration factors (leaf to soil concentration ratio) to Ni and Zn whereas Cr was seemingly excluded from uptake. The μ-SXRF images showed a uniform distribution of Ni, preferential localization of Co in the leaf tip, and clear concentration of Mn in the base of trichomes. The citric acid treatments strongly increased the Co fluoerescence intensity in the leaf tip and altered the spatial distribution of Mn across the leaf, but there was no difference in Ni fluorescence counts between the trichome-base region and the bulk leaf. Our data from a serpentine soil suggests that citrate treatment enhances Ni uptake, but Co is excreted from leaves even in low leaf concentrations, which can make Co phytoming using O. muralis unfeasible in natural serpentine soils.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Reactive transport modeling for supporting climate resilience at groundwater contamination sites

Abstract. Climate resilience is an emerging issue at contaminated sites and hazardous waste sites, since projected climate shifts (e.g., increased/decreased precipitation) and extreme events (e.g., flooding, drought) could affect ongoing remediation or closure strategies. In this study, we develop a reactive transport model (Amanzi) for radionuclides (uranium, tritium, and others) and evaluate how different scenarios under climate change will influence the contaminant plume conditions and groundwater well concentrations. We demonstrate our approach using a two-dimensional (2D) reactive transport model for the Savannah River Site F-Area, including mineral reaction and sorption processes. Different recharge scenarios are considered by perturbing the infiltration rate from the base case as well as considering cap-failure and climate projection scenarios. We also evaluate the uranium and nitrate concentration ratios between scenarios and the base case to isolate the sorption effects with changing recharge rates. The modeling results indicate that the competing effects of dilution and remobilization significantly influence pH, thus changing the sorption of uranium. At the maximum concentration on the breakthrough curve, higher aqueous uranium concentration implies that sorption is reduced with lower pH due to remobilization. To better evaluate the climate change impacts in the future, we develop the workflow to include the downscaled CMIP5 (Coupled Model Intercomparison Project) climate projection data in the reactive transport model and evaluate how residual contamination evolves through 2100 under four climate Representative Concentration Pathway (RCP) scenarios. The integration of climate modeling data and hydrogeochemistry models enables us to quantify the climate change impacts, assess which impacts need to be planned for, and therefore assist climate resiliency efforts and help guide site management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Transfer Factors for the FRMAC Assessment Manual and Turbo FRMAC to Improve Radiological Dose Assessment

The Turbo FRMAC analysis tool is used to perform complex calculations to quickly evaluate radiological consequences and aid in decision making during an emergency response by assessing impacts to the public, workers, and the food supply. Turbo FRMAC calculations are based on methods established by the Federal Radiological Monitoring and Assessment Center (FRMAC). To be able to assess impacts, input data called transfer factors that describe radionuclide uptake by local plants and animals are required. During the code application exercises in late 2016, identifying, finding, and validating nonstandard transfer factors proved to be time consuming and diverted the teams’ activity away from other critical tasks. As a result, a task was undertaken to dramatically expand the list of available transfer factors (food and non-food) and incorporate these factors into Turbo FRMAC. This will ultimately result in improved efficiency of the assessment team to perform calculations during times when the FRMAC is activated and provide more defensible, vetted data from which to calculate results. As a result of these and subsequent exercises, transfer factors were needed for the following items: bell peppers, Christmas tree, deer, flowers, fresh cucumbers, tomatoes, grapefruit, lichens, mushrooms, oranges, snap beans, squash, strawberries, sugarcane for sugar and seed, sweet corn, tea, tobacco, tree bark, and watermelon. To expand the applicability of the information tables, generic transfer data were also provided for common categories and recommendations were made for expanding the list of chemicals based on chemical similarity. The data presented in this report were compiled from recent literature with most of the data encompassing the period from 2000 to 2018. The following radionuclides were targeted during the literature search: elements associated with reactor accidents or nuclear detonations (Sr 89/90, Cs 134/137, Ce 141/144, Ru 103/106, I 129/131/133, Pu 238/239, Am 241, Zr 95, and Nb 95) and elements associated with industrial accidents or dirty bombs (Ir 192 and Co 60). Data from other elements were evaluated if they were identified during the literature search. In addition, reports were evaluated that were recommended by the research consultants. For each plant or animal transfer factor, the goal was to determine the geometric mean, the geometric standard deviation, the minimum, the maximum, and the number of measurements used. If only one measurement was available that was presented as the mean. Concentration ratios with large geometric standard deviations (GSDs) were generally the result of a paucity of measurements or a few disparate measurements. Measurement disparity was observed for data from different soil types. The geometric mean (GM) is a good reference value for planning and responses purposes, but the location-specific concentrations are unlikely to be similar to the model results. Recommendations for further work include: segregating the data to reflect the influence of soil type, developing approaches to incorporate animal data based on aggregated transfer measurements, and including data for foliar deposition on plants.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2020

In Situ Electrochemical Study of the Coexistence of Eu 3+ and Eu 2+ in Molten LiCl-KCl by Rotating Disc Electrode

In this study, a graphite rotating disc electrode was successfully designed and applied to conduct electrochemical measurements under flow conditions in molten LiCl-KCl at 773 K. The concentration and diffusion coefficients of Eu 3+ and Eu 2+ in molten salt were quantitatively measured with this electrode by applying in situ cyclic voltammetry and chronoamperometry techniques. The initial concentration ratio of Eu 3+ /Eu 2+ in LiCl-KCl-0.5 wt% EuCl 3 was calculated to be 2.37. The calculated diffusion coefficients of Eu 3+ and Eu 2+ in the salt were 9.31 ± 0.06 × 10 -5 cm 2 s -1 and 9.65 ± 0.6 × 10 -5 cm 2 s -1 , respectively. A decrease of the diffusion coefficient of Eu 3+ and Eu 2+ was observed at a higher concentration of EuCl 3 , which implies the enhanced Eu-Eu ion interaction. This electrode design is expected to be utilized for the concentration measurement of multivalent ions in a flowing molten salt.

Electrochemistry↗
DOE OSTI2024

Correlated Displacement of Dynamic Elastic Dipoles Produces Nonclassical Electrostriction in Zr-Doped Ceria

By combining experimental data with density functional theory-based ab initio molecular dynamics modeling, this work provides evidence that nonclassical electrostriction in isovalent Zr-doped ceria is due to the correlated anharmonic motion of dynamic elastic dipoles associated with multiple [ZrO 8 ]-local bonding units with a high Zr concentration (Zr 0.1 Ce 0.9 O 2 ). Introduction of 0.5 mol % trivalent or divalent codopants (Sc, Yb, La, or Ca) reduces the longitudinal electrostriction strain coefficient by more than a factor of 10, produces a 3-fold decrease in the relative dielectric permittivity, and increases the elastic modulus. Since these changes depend neither on the radius nor on the valency of the codopant, we conclude that the responsible species are charge-compensating oxygen vacancies (VO). For trivalent dopants (Do 0.005 Zr 0.1 Ce 0.895 O 1.9975 ), oxygen vacancies are present at a concentration ratio 1:40 with respect to Zr, giving, for random distribution, a characteristic interaction distance of ≤2.3 unit cells (1.2 nm). Oxygen vacancies participate in [ZrO 7 -V O ] local bonding units, disrupting the correlated dynamic displacements of the connected [ZrO 8 ]-local bonding units. Finally, such correlated motion of dynamic elastic dipoles may also explain the exponential increase in the longitudinal electrostriction strain coefficient with an increase in Zr concentration to <0.2 mole fraction and must be taken into account for further development of nonclassical electrostrictors based on Zr-doped ceria.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Resolving Severe Elemental Isobaric Interferences with a Combined Atomic and Molecular Ionization Source - Orbitrap Mass Spectrometry Approach: The 87Sr and 87Rb Geochronology Pair

Many fields of basic and applied sciences, including geochronology, astronomy, metabolism, nutrition and forensics rely on the ability of mass spectrometry to make isotope ratio measurements with a high degree of certainty. The inability to resolve difficult isobaric interferences still plagues certain measurements of this type. A combined atomic and molecular (CAM) ionization source has been interfaced to a high-field Orbitrap mass spectrometer in an effort to alleviate severe atomic, isobaric interferences. Specifically, this work examines the geochronological-significant 87Sr and 87Rb isotope pair. The mass difference between 87Sr and 87Rb is ~0.3 mDa, requiring a minimum resolving power (R = m/?m) of ~290,000, a value ~30X higher than available with conventional (sector-field) elemental mass spectrometers. Under ultra-high resolution conditions, Sr isotope ratio accuracy and precision were evaluated using NIST Sr SRM 987, yielding precision values of <0.1% relative standard deviation (RSD) for the major isotopes and a calculated LOD of 2 pg mL-1, equivalent to 120 fg Sr for a 60 µL injection. In addition to manipulating the signal transient length, which controls the Orbitrap resolving power, the total number of ions in the electrostatic trap and the relative ion populations (i.e. the 87Sr/87Rb concentration ratio), were found to be influential towards resolving the isobaric species. Ultimately, the 87Sr and 87Rb isotopes were baseline resolved with a calculated mass resolution of >1.7 M. At equal 87Sr and 87Rb intensities, the 87Sr/86Sr was measured as 0.71294 (an error of 0.37%) with a precision of 0.097 %RSD, clearly reflecting the alleviation of the isobaric interference.

Hoegg, Edward D.↗
DOE OSTI2023

Biomass-burning smoke's properties and its interactions with marine stratocumulus clouds in WRF-CAM5 and southeastern Atlantic field campaigns

Abstract. A large part of the uncertainty in climate projections comes from uncertain aerosol properties and aerosol–cloud interactions as well as the difficulty in remotely sensing them. The southeastern Atlantic functions as a natural laboratory to study biomass-burning smoke and to constrain this uncertainty. We address these gaps by comparing the Weather Research and Forecasting with Chemistry Community Atmosphere Model (WRF-CAM5) to the multi-campaign observations ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS), CLARIFY (CLoud–Aerosol–Radiation Interaction and Forcing), and LASIC (Layered Atlantic Smoke Interactions with Clouds) in the southeastern Atlantic in August 2017 to evaluate a large range of the model's aerosol chemical properties, size distributions, processes, and transport, as well as aerosol–cloud interactions. Overall, while WRF-CAM5 is able to represent smoke properties and transport, some key discrepancies highlight the need for further analysis. Observations of smoke composition show an overall decrease in aerosol mean diameter as smoke ages over 4–12 d, while the model lacks this trend. A decrease in the mass ratio of organic aerosol (OA) to black carbon (BC), OA:BC, and the OA mass to carbon monoxide (CO) mixing ratio, OA:CO, suggests that the model is missing processes that selectively remove OA from the particle phase, such as photolysis and heterogeneous aerosol chemistry. A large (factor of ∼2.5) enhancement in sulfate from the free troposphere (FT) to the boundary layer (BL) in observations is not present in the model, pointing to the importance of properly representing secondary sulfate aerosol formation from marine dimethyl sulfide and gaseous SO2 smoke emissions. The model shows a persistent overprediction of aerosols in the marine boundary layer (MBL), especially for clean conditions, which multiple pieces of evidence link to weaker aerosol removal in the modeled MBL than reality. This evidence includes several model features, such as not representing observed shifts towards smaller aerosol diameters, inaccurate concentration ratios of carbon monoxide and black carbon, underprediction of heavy rain events, and little evidence of persistent biases in modeled entrainment. The average below-cloud aerosol activation fraction (NCLD/NAER) remains relatively constant in WRF-CAM5 between field campaigns (∼0.65), while it decreases substantially in observations from ORACLES (∼0.78) to CLARIFY (∼0.5), which could be due to the model misrepresentation of clean aerosol conditions. WRF-CAM5 also overshoots an observed upper limit on liquid cloud droplet concentration around NCLD= 400–500 cm−3 and overpredicts the spread in NCLD. This could be related to the model often drastically overestimating the strength of boundary layer vertical turbulence by up to a factor of 10. We expect these results to motivate similar evaluations of other modeling systems and promote model development to reduce critical uncertainties in climate simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Fundamental Study of Uranium Dendrites Electrochemically Separated in Molten Salt with the Presence of Cerium

In this study, uranium was electrochemically separated in the presence of cerium in eutectic LiCl-KCl at varying concentrations of cerium and varying overpotentials. Harvested dendrites were then examined and analyzed for their morphological features and elemental composition using various analytical techniques. Conclusions: Increasing the applied overpotential causes the dendrites to evolve from relatively simple and large platelet-like crystals (25 mV), to a grid-like network with crystals having jagged and smooth features (50 mV, 100 mV), and finally into a very chaotic and complex crystal morphology (200 mV) for all uranium-cerium compositions explored. Varying the uranium:cerium concentration ratio did not have much effect on the uranium dendrite morphologies. EDS results show that cerium is not co-deposited on the surface of the dendrite crystals, ICP-MS results do show a presence of cerium in the volumetric composition. This is likely due to salt occlusion during the dendrite formation. XRD has been performed on several samples at the 25 mV overpotential with 1 wt% U and 0 wt% Ce in the molten salt eutectic. These results indicate that there is not salt occlusion within the dendrites during electrochemical separation. Additionally, the uranium metal quickly oxidizes during preparation for XRD.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Analysis of Planar-Cavity Receiver Reactor for Solar Thermochemical Dry-Reforming

Concentrating solar thermal (CST) systems can be leveraged to provide not only heat for power generation, but also for energy storage and thermochemical fuel production. Such solar thermochemical processes have been studied conceptually, from solar thermochemical hydrogen production (STCH) and thermochemical energy storage (TCES), to gasification, reforming, and fuel upgrading by various means. The solar receiver and reactor are critical components in the conversion of solar energy into chemical energy in the form of 'solar fuels'. For effective conversion of solar energy within a coupled solar receiver-reactor, extremely high temperatures are required, thereby demanding a high solar concentration ratio (CR) for efficient operation. This creates a design challenge for the receiver-reactor, as many thermochemical processes involve gas or gas-solid systems that are limited by low heat transfer coefficients. A unique receiver design is proposed that has the potential to incorporate various high-temperature thermochemical processes such as TCES-assisted power generation, methane reforming, or STCH processes. Modeling this receiver and its potential applications requires a full three-dimensional model that accurately captures the interconnected effects of receiver geometry, spatial solar irradiance, complex radiation, reaction kinetics, fluid dynamics, and heat transfer. In this paper we analyze a CST system integrated with this unique planar-cavity receiver-reactor design using the developed model. The model presented in this paper showed where improved thermal management was needed to achieve suitable receiver performance when a dry-methane reforming process is implemented.

14 SOLAR ENERGY↗
DOE OSTI2023

High-Strength, High-Ductility, High Entropy Alloys with High-Efficiency Native Oxide Solar Absorbers for Concentrating Solar Power Systems

This EPSCoR Project has been investigating the synergy between the excellent high-temperature mechanical behavior of FeMnNiAlCr high entropy alloys (HEA) and the high solar absorptance of their native oxides for high efficiency concentrated solar thermal power (CSP) systems working at >700°C. While HEAs have attracted substantial interest in recent years, most investigations have focused on their applications as structural materials rather than functional materials. This EPSCoR project discovered that FeMnNiAlCr HEAs can potentially be applied synergistically as both a structural and functional material for high-efficiency concentrating solar thermal power (CSP) systems working at >700°C. The HEA itself would be used in high-temperature tubing to carry molten salts or supercritical CO 2 , while its surface oxide would act as a high-efficiency solar thermal absorber. With Fe and Mn being the major components in these HEAs (adding up to ~70 at.% of the alloy), these materials are much more cost-effective than the Ni-based superalloys currently being investigated for high-temperature CSP systems. Through this research, these Fe-Mn based HEAs have demonstrated yield strengths 2-3x greater than that of stainless steel at 700°C and a creep lifetime >800 h at 700ºC under a typical CSP tubing mechanical load of 35 MPa. Their Mn-rich surface oxides maintain a high optical-to-thermal conversion efficiency of ~87% under 1000x solar concentration ratio for 20 simulated day-night thermal cycles between 750ºC and room temperature. In preliminary corrosion studies, these HEAs have sustained immersion in unpurified bromide molten salts for 14 days at 750°C with <2% weight loss, in contrast to 70% weight loss from a 316 stainless steel reference. The simultaneous achievement of promising mechanical, optical, and thermochemical properties in this FeMnNiAlCr system opens the door to new applications of HEAs in solar energy harvesting. Partnerships with Ames Laboratory and Oak Ridge National Laboratory (ORNL) also advanced our understanding of the fundamental structure-property relationships through atomic scale material characterization and first-principles computational modeling. The key research results in this project can potentially be extended to other HEAs and their native oxides. In terms of applications, the proposed FeMnNiAlCr HEA/native oxide system could potentially exceed the mechanical and the optical performance of existing tubing and solar coating materials under EERE’s CSP program at lower cost, which also aligns well with the EPSCoR Science and Technology strategies of New Hampshire in boosting the deployment of renewable energy.

14 SOLAR ENERGY↗
DOE OSTI2021

Thermodynamically Stable, Plasmonic Transition Metal Oxide Nanoparticle Solar Selective Absorbers towards 95% Optical-to-Thermal Conversion Efficiency at 750 °C

Generation 3 (Gen) concentrating solar power (CSP) systems requires a high operation temperature ≥750°C to increase the power-cycle efficiency towards ≥50%. However, such a high operation temperature poses a notable challenge to high temperature materials. On the receiver side, a critical challenge is the lack of solar selective absorbers that demonstrate both high optical-to-thermal energy conversion efficiency η therm approaching 95% and long-term thermal stability at >750°C in air. Existing solar absorbers either have limited η therm ≤89% or deteriorate significantly within 500 h at 750°C; some of these also require costly vacuum deposition for stringent thickness control. Therefore, it is highly desirable to simultaneously achieve η therm ~95% AND high thermal stability at 750°C for future generations of CSP receivers. This project has investigated and developed low-cost, highly scalable spray-coated transition metal oxide nanoparticle (NP) pigmented solar selective coatings on various types of Inconel alloy tube sections that are thermodynamically stable at 750-800°C in air, maintaining η therm >94.3%(93.2%) under a solar concentration ratio of C=1000 after 60 simulated day-night cycles at 750ºC (800ºC) (1 cycle=12 h at 750 or 800°C and 12h ramping down to 25°C). We have also coated up to 48 inches long receiver tubes for preliminary solar testing under Norwich Technology’s parabolic trough systems, demonstrating notably improved performance in solar heating compared to benchmark Pyromark 2500 coatings. Two key innovations have been developed in this project: (1) We achieved an unprecedented high thermal efficiency >94% by optimizing the d-band optical absorption spectra of transition metal ions, engineering their valences and stoichiometry; (2) We were able to maintain or even slightly increase the efficiency when operating at 750°C in air by engineering the interdiffusion of transition metal ions between the coating and the Inconel substrate to our advantage. Featuring high-temperature solar spectral selectivity and thermodynamic stability in air, as well as low-cost, highly scalable solution-chemical synthesis and spray coating techniques, this innovation in solar selective absorber technology alone accounts for nearly 40% of the targeted reduction in the levelized cost of electricity (LCOE) from the receiver, thermal energy storage, and operation & maintenance combined by 2030, as proposed by the U.S. Department of Energy. For a 110 MWe CSP power plant, this LCOE reduction from the solar selective coating alone transfers to ~$\$ $1.9 M increase in annual profit based on a sales price of 10¢/kWh (or an annual sale of $50 M/year). The high solar absorptance (~98%) NP pigment materials developed in this project are equally applicable to volumetric receivers either as a coating or as bigger ceramic microspheres after sintering, potentially benefiting Gen3 falling particle CSP technologies. All these contributions facilitate the larger scale deployment of CSP systems with energy storage capability to address the intermittency issue of solar energy towards dispatchable solar electricity, bridging the temporal gap between peak solar electricity production and peak electricity consumption. The collaboration with Norwich Technologies and Brayton Energy in this project will also facilitate the future commercialization of this new solar selective coating technology developed in this SIPS project.

14 SOLAR ENERGY↗
DOE OSTI2022

High-Temperature Linear Receiver Enabled by Multicomponent Aerogels

Concentrating solar thermal (CST) technology has significant potential mainly due to its dispatchability and low cost of storage. However, to compete with other sources, including utility-scale solar PV, its final cost (cents/kWh) still needs to be lowered. Cost reduction can be achieved by improving the system level efficiency of the CST plants through the deployment of advanced power cycles, which operate at high temperatures of ~700°C. However, optical, and thermal losses pose a major challenge to the efficiency of such CST systems. The overall aim of this project is to investigate and de-risk a linear solar receiver concept called an Aerogel Insulated Receiver (AIR) that generates high temperatures (up to 700°C) at a low solar concentration ratio (<100) and with a high collection efficiency (optical × receiver). Our prior work has demonstrated the thermal stability1 and optical and heat-insulating properties2,3 of transparent aerogel insulation at a one-inch scale. The focus of this work is on (1) co-optimization of the geometry of the aerogel tile and receiver enclosure to fit a standard parabolic collector (PTC), (2) scale-up of aerogels into 4-inch tiles while preserving key properties, (3) experimental measurement of receiver heat loss (W/m) in a >70-cm test stand and validation of anticipated receiver performance at high temperatures. Regarding (1), appropriate optical and thermal models for a parabolic trough receiver (PTR) are developed and validated. The geometry of the aerogels and the receiver enclosure are co-optimized to maximize the collection efficiency. The model predicts a 54% collection efficiency at 700°C for an AIR design based on flat aerogels. By combining the collection efficiency with the power block efficiency of supercritical CO 2 cycles, we predict >10% improvements in peak plant efficiency relative to existing line-focusing CST systems. The application of curved plasmonic aerogels is predicted to further increase the collection efficiency to 64%. Regarding (2), we demonstrate the successful development of 6-inch-long refractory aerogel tiles with optical, thermal, and stability characteristics consistent with our prior work. This scale-up requires a transition to a larger ALD station and modifying the ALD process variables such as exposure time and the number of precursor doses. Regarding (3), we design and develop an AIR test stand measuring 3 feet in length. Heat loss performance analysis is carried out using the test stand. The results indicate that aerogel insulation can significantly reduce receiver thermal losses at the high operating temperatures required for next-generation PTRs. The experimental results agree with the heat loss performance predicted by our receiver model. Lastly, we conducted preliminary failure mode and effects (FMEA) and techno-economic (TEA) analyses to identify failure mitigation strategies and commercial opportunities, respectively. Overall, this project identifies key opportunities and challenges in deploying aerogel insulating receivers in next-generation line-focusing CST technologies.

14 SOLAR ENERGY↗
DOE OSTI2026

Radioisotope dating of nuclear materials using cryogenic decay energy spectrometry

Cryogenic decay energy spectrometry provides high energy resolution and enables absolute decay counting, offering an alternative measurement technique for radiochronometry. A cryogenic decay energy spectrometry experiment was conducted using a magnetic microcalorimeter to determine the age of a plutonium sample. The energy resolution was measured at 0.05% from 5 to 6 MeV. The time since sample purification was determined using the measured concentration ratio of the 241 Am/ 241 Pu radiochronometer. Sample age estimates based on 241 Pu alpha-decay and beta-decay counts, along with 241 Am decay counts, align with the expected sample age within expanded uncertainty (k = 2), supporting the accuracy of cryogenic decay energy spectrometry as a radiochronometric method.

and nuclear chemistry↗
DOE OSTI2023

Chemical structure and complex growth modes of magnesium silicate hydrate: Nanoparticle orientation, aggregation, and fusion

The extent of utilization of magnesium silicate hydrate (MSH) in construction is limited partly because of insufficient data ascertaining the kinetics of its precipitation. In this report MSH grown homogeneously or heterogeneously in the range of magnesium to silicon solution molar concentration ratios, [Mg]/[Si] = 0.5-1.5, and temperature = 25-80 °C was analyzed for its chemical structure and morphology. Infrared spectroscopy and geochemical modeling show that increasing the [Mg]/[Si] ratio results in less silicate polymerization in MSH. Atomic force microscopy reveals the presence of nanoparticles that aggregate and fuse to form films. Oriented attachment of nanoparticles and features indicative of enhanced crystallinity were observed at higher temperatures and longer reaction times. These data provide direct evidence for the persistence of hierarchical structures (i.e., nanoparticles forming 3D microparticles and 2D film layers) at the nanoscale to mesoscale. These findings offer insights into the precise chemical synthesis of MSH and its widespread use as a binder for construction purposes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Implementation and evaluation of multi-dual mode counter-current chromatography in the CUP Modeler software

Counter-current chromatography (CCC) is a separation technique that utilizes immiscible solvent pairs as stationary and mobile phases, which imparts numerous benefits compared to solid-liquid chromatography including the ability to treat either the more-dense or less-dense solvent layer as the mobile phase. Multi-dual mode (MDM) is a CCC elution mode capable of improving the separation of closely eluting compounds by alternating upper- and lower-layer solvent flows in opposing directions within the same separation. While some effort has been made to model MDM, implementation of these models in experimental design has yet to be widely adopted. Accordingly, we further developed our previously published cell utilized partitioning (CUP) model to include MDM predictions with CCC and packaged the full suite of CUP modeling capabilities into a user-friendly, open-source tool called the CUP Modeler. The mathematical model for MDM CCC was derived and validated with experimental separation of ethyl guaiacol (EG) and ethyl phenol (EP), two compounds that co-elute in our previously demonstrated reductive catalytic fractionation (RCF) lignin monomer isolation method. The developed MDM model provided insights into the effect of multiple operating parameters - including stationary phase retention, flow rate, column efficiency, feed concentration ratio, selectivity factor, and solute distribution ratios - on the separation yields, productivity, and purities. Our model agreed with prevailing understanding of MDM but also revealed new insights including that the ideal distribution ratios for co-eluting solutes to be separated by MDM is between 1.1 and 1.5, with the lower value ideally close to 1.25. Overall, this work provides fundamental insights for MDM process design and enables broader adoption of general liquid-liquid chromatography with a new, open-source user-friendly interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Method for identification of redox control parameters for corrosion mitigation in molten fluoride salts

Structural material corrosion is a significant concern for the development of molten salt-cooled reactors (MSR) and redox control was proposed to mitigate the corrosion. This study presents an efficient approach to identify the partial pressure of F 2 gas for fluorine driven corrosion, the concentration ratios of UF 4 /UF 3 and ZrF 4 /ZrF 2 , and the partial pressure ratio of HF/H 2 needed to limit metal corrosion and its subsequent dissolution in molten fluoride salts. The identification procedure is made by simply using auxiliary axes in Ellingham diagrams. This approach greatly simplifies the optimization of redox control methods in studying the material corrosion in molten salts.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Elemental fractionation in aerosol laser-induced breakdown spectroscopy with nanosecond and femtosecond laser ablation

For the purpose of realizing atmospheric radiation plume tracking, laser-induced breakdown spectroscopy (LIBS) was performed to characterize Cs atomic emissions from airborne nanoparticles in a binary particle matrix using nanosecond and femtosecond laser ablation. As a surrogate to multi-element nuclear fallout particulates, both Cs and Na solutions were mixed with Cu at a 1:1.45 M concentration ratio and aerosolized to study elemental fractionation in atomic emissions, revealing Na I resonance emissions are enhanced whereas Cs I resonance emissions are reduced with Cu present despite sharing similar electronic and chemical properties. Femtosecond laser ablation reduced elemental fractionation effects by more than 50% while retaining the same temporal fractionation trends for Cs and Na. The origin of elemental fractionation in aerosol LIBS was further investigated using Al and Ti aerosols which revealed that the particle matrix induces changes to the local plasma temperature, population of atomic states, and subsequent molecular association and emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗