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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Simplifying the Advanced Test Reactor LOWE Element Test Series

The Advanced Test Reactor (ATR) is one of six remaining high performance research reactors in the United States scheduled to be converted from 93% high-enriched uranium (HEU) fuel to 19.75% low-enriched uranium (LEU) fuel as part of the Department of Energy (DOE), National Nuclear Security Administration (NNSA), Office of Material Management and Minimization (MMM) reactor conversion efforts(1). The specific LEU fuel element design for the ATR is called the Low Enriched (LOWE) element. A series of fuel qualification tests are scheduled to occur over the next decade before the ATR is fully converted. In addition to several experiments of demonstration plates, a series of Element Tests (ETs) are planned for conversion, in which full sized LOWE elements are placed in ATR driver positions. The purpose of these ETs was generally to sequentially increase the amount of LEU and core power to full power, therefore creating a representative safety profile in which LEU could operate for the duration of the ATR lifetime. The planned element tests were (2): ET-1: one LOWE element at low power for once cycle ET-2: ~8 LOWE elements at low/medium power for multiple cycles, and ET-3: >8 LOWE elements for a full lobe of elements at high power for multiple cycles. Given recent improvements in modeling fidelity, scheduling considerations, and an opportunity to combine later ETs, the LEU conversion program successfully defined the operational requirements for the “ET-ATR” test, which combines the needed information collected from ET-2 and ET-3 into a single test.

42 ENGINEERING↗

DOE OSTI2023

Understanding non-stochiometric deposition of multi-principal elemental NiCoCr thin films

Multi-principal elemental NiCoCr thin films with compositional flexibility have potential applications as a thermal barrier, corrosion-resistant coatings, and functional energy materials. In this study, the non-stochiometric multi-principal element alloy thin film formation behavior from an equiatomic ablation target of NiCoCr using pulsed laser deposition has been reported. Here, the effect of varying laser fluence on compositions of constituent elements in the NiCoCr thin films is systematically investigated. The increase in laser fluence typically increases the likelihood of acquiring undesirable particulates in thin films. Therefore, to maintain the film quality the laser fluences are adjusted within the range of 1.3–3.3 J·cm -2 , while the film thicknesses are kept constant at ~30 nm. Results show that the constituent elements are well-distributed in the formed NiCoCr thin films, however, having average atomic percentages of Ni and Cr twice as high as Co irrespective of the equiatomic composition of individual elements in the ablation target. This stochiometric alteration in the as-deposited thin films is governed by the rate of ablation and subsequent evaporation of each element, which is facilitated by the optical properties and vapor pressure of individual constituent elements. Additionally, electron energy-loss spectroscopy and x-ray absorption spectroscopy analysis reveal that the thin films have partially oxidized, with the Cr oxidation contributing the most to the O-K edge in comparison to Ni and Co. Finally, this study presents a laser-assisted pathway for fabricating compositionally flexible NiCoCr thin films and develops an understanding of the non-equilibrium laser-material interactions and how the intrinsic properties of constituent elements affect the stoichiometric flow of materials from the target to the final film deposition.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Environmentally significant shifts in trace element emissions from coal plants complying with the 1990 Clean Air Act Amendments

The Clean Air Act Amendments of 1990 (CAAAs) reduced criteria air pollution from coal-fired power plants (CFPPs) in the United States, but compliance strategies additionally altered the magnitude and phase of environmentally significant trace element emissions. This report quantitatively assesses changes in trace element emissions stemming from CAAAs compliance, attributes these changes to specific CAAAs compliance strategies, and discusses implications for future environmental regulatory design. We combine plant-level coal purchase and installed air pollution control device data with a trace element partitioning model to approximate changes in trace element mass entering and exiting CFPPs in the solid, liquid, and gas phase between 1993 and 2017. Though US coal combustion decreased by 2% during this period, the vast majority of trace element emissions reductions stem from the 18-64% reductions in the fleet-wide average concentrations of arsenic, bromine, chloride, lead, mercury, and selenium in the combusted coal. Combined with the installation of air pollution control technologies, these shifts concluded in nationwide reductions of gas phase trace element emissions by between 49 and 68% for the elements included in this study. In contrast, installation of flue gas desulfurization devices increased the mass of trace elements discharged in wastewater. This work reinforces the value of multi-phase emissions regulations in ensuring that contaminants are not shunted from regulated to unregulated phases.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2015

Investigations of element spatial correlation in Mn-promoted Co-based Fischer–Tropsch synthesis catalysts

Making connections between performance and structure in bimetallic catalysts requires knowledge of how the two elements are spatially associated. Elemental maps obtained by analytical TEM methods are an invaluable tool for identifying the location of different elements, but for many samples, visual inspection of elemental maps is insufficient for assessing the degree of element spatial correlation. This is particularly true for beam-sensitive materials where short mapping acquisition times lead to images with high noise and low color depth. In these situations, statistical analysis of elemental maps can be used to identify spatial correlations among the elements in a sample. In this work, the relationship between catalyst performance and bimetallic spatial association was explored using Mn-promoted Co-based Fischer-Tropsch synthesis catalysts prepared by different pretreatment methods. Mn was used as a catalyst additive to suppress methane formation. Catalysts that underwent calcination before reduction produced more methane and fewer long-chain hydrocarbons than catalysts that were directly reduced. The extent to which Co and Mn were spatially associated was assessed using correlation metrics, colocation plots, and histograms generated using data from STEM-EDS maps. Although both catalysts yielded visually similar elemental maps, the results of statistical analysis suggested that the calcined catalyst exhibited greater spatial segregation between the Co and Mn. These findings support the hypothesis that having Mn in close proximity to the Co is essential for the manifestation of Mn promotion effects in Co-based FTS catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Lumping Techniques for Mixed Finite Element Diffusion Discretizations

We are interested in positivity preserving spatial discretizations applicable to arbitrary order mixed finite element spatial discretizations of the radiative diffusion equations. Though not guaranteed to yield strict positivity, matrix lumping is appealing as a method of increasing solution positivity because unlike ad hoc fixups or strictly non-negative, non-linear solution representations, matrix lumping keeps the mixed finite element diffusion equations as a linear system of equations. Self-lumping schemes have previously been shown to be a generalization of more traditional matrix lumping techniques. Self-lumping schemes restrict integration quadrature points to the interpolation points used to define interpolatory finite element basis functions. As shown previously, the positivity and order of accuracy of self-lumping schemes are directly related to the choice of finite element interpolation point. Here, we develop self-lumping schemes for arbitrary order, mixed finite element spatial discretizations of the diffusion equation in Cartesian geometry. After introducing several possible self-lumping schemes appropriate for mixed finite elements, we test the ability of each scheme to increase solution positivity relative to an unlumped discretization using a simple test problem designed to induce negative solutions, evaluating efficacy as a function of finite element order and finite element interpolation point type. The method of manufactured solutions is then used to evaluate order of convergence for promising self-lumping schemes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

A Condensed Constrained Nonconforming Mortar-Based Approach for Preconditioning Finite Element Discretization Problems

This paper presents and studies an approach for constructing auxiliary space preconditioners for finite element problems using a constrained nonconforming reformulation that is based on a proposed modified version of the mortar method. The well-known mortar finite element discretization method is modified to admit a local structure, providing an element-by-element or subdomain-by-subdomain assembly property. This is achieved via the introduction of additional trace finite element spaces and degrees of freedom (unknowns) associated with the interfaces between adjacent elements or subdomains. The resulting nonconforming formulation and a reduced-via-static-condensation Schur complement form on the interfaces are used in the construction of auxiliary space preconditioners for a given conforming finite element discretization problem. Overall, the properties of these preconditioners are studied and their performance is illustrated on model second order scalar elliptic problems utilizing high order elements.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Studies of Flerovium and Element 115 Homologs with Macrocyclic Extractants

Study of the chemistry of the heaviest elements, Z ≥ 104, poses a unique challenge due to their low production cross-sections and short half-lives. Chemistry also must be studied on the one-atom-at-a-time scale, requiring automated, fast, and very efficient chemical schemes. Recent studies of the chemical behavior of copernicium (Cn, element 112) and flerovium (Fl, element 114) together with the discovery of isotopes of these elements with half-lives suitable for chemical studies have spurred a renewed interest in the development of rapid systems designed to study the chemical properties of elements with Z ≥ 114. This dissertation explores both extraction chromatography and solvent extraction as methods for development of a rapid chemical separation scheme for the homologs of flerovium (Pb, Sn, Hg) and element 115 (Bi, Sb), with the goal of developing a chemical scheme that, in the future, can be applied to on-line chemistry of both Fl and element 115. Carrier-free radionuclides, used in these studies, of the homologs of Fl and element 115 were obtained by proton activation of high-purity metal foils at the Lawrence Livermore National Laboratory (LLNL) Center for Accelerator Mass Spectrometry (CAMS): nat In(p,n) 113 Sn, nat Sn(p,n) 124 Sb, and Au(p,n) 197m,g Hg. The carrier-free activity was separated from the foils by novel separation schemes based on ion exchange and extraction chromatography techniques. Carrier-free Pb and Bi isotopes were obtained from development of a novel generator based on cation exchange chromatography using the 232 U parent to generate 212 Pb and 212 Bi. Macrocyclic extractants, specifically crown ethers and their derivatives, were chosen for these studies; crown ethers show high selectivity for metal ions. Finally. a potential chemical system for Fl was established based on the Eichrom Pb resin, and insight to an improved system based on thiacrown ethers is presented.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

Iron Bonding with Light Elements: Implications for Planetary Cores Beyond the Binary System

Light element alloying in iron is required to explain density deficit and seismic wave velocities in Earth’s core. However, the light element composition of the Earth’s core seems hard to constrain as nearly all light element alloying would reduce the density and sound velocity (elastic moduli). The alloying light elements include oxidizing elements like oxygen and sulfur and reducing elements like hydrogen and carbon, yet their chemical effects in the alloy system are less discussed. Moreover, Fe-X-ray Absorption Near Edge Structure (Fe-XANES) fingerprints have been studied for silicate materials with ferrous and ferric ions, while not many X-ray absorption spectroscopy (XAS) studies have focused on iron alloys, especially at high pressures. To investigate the bonding nature of iron alloys in planetary interiors, we presented X-ray absorption spectroscopy of iron–nitrogen and iron–carbon alloys at high pressures up to 50 GPa. Together with existing literature on iron–carbon, –hydrogen alloys, we analyzed their edge positions and found no significant difference in the degree of oxidation among these alloys. Pressure effects on edge positions were also found negligible. Our theoretical simulation of the valence state of iron, alloyed with S, C, O, N, and P also showed nearly unchanged behavior under pressures up to 300 GPa. This finding indicates that the high pressure bonding of iron alloyed with light elements closely resembles bonding at the ambient conditions. We suggest that the chemical properties of light elements constrain which ones can coexist within iron alloys.

Advanced Photon Source↗

DOE OSTI2017

Diversity of Abundance Patterns of Light Neutron-capture Elements in Very-metal-poor Stars

We determine the abundances of neutron-capture elements from Sr to Eu for five very-metal-poor stars (−3 < [Fe/H] < −2) in the Milky Way halo to reveal the origin of light neutron-capture elements. Previous spectroscopic studies have shown evidence of at least two components in the r-process; one referred to as the “main r-process” and the other as the “weak r-process,” which is mainly responsible for producing heavy and light neutron-capture elements, respectively. Observational studies of metal-poor stars suggest that there is a universal pattern in the main r-process, similar to the abundance pattern of the r-process component of solar-system material. Still, it is uncertain whether the abundance pattern of the weak r-process shows universality or diversity, due to the sparseness of measured light neutron-capture elements. We have detected the key elements, Mo, Ru, and Pd, in five target stars to give an answer to this question. The abundance patterns of light neutron-capture elements from Sr to Pd suggest a diversity in the weak r-process. In particular, scatter in the abundance ratio between Ru and Pd is significant when the abundance patterns are normalized at Zr. Our results are compared with the elemental abundances predicted by nucleosynthesis models of supernovae with parameters such as electron fraction or proto-neutron-star mass, to investigate sources of such diversity in the abundance patterns of light neutron-capture elements. This paper presents that the variation in the abundances of observed stars can be explained with a small range of parameters, which can serve as constraints on future modeling of supernova models.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

The formation mechanisms of sedimentary pyrite nodules determined by trace element and sulfur isotope microanalysis

Redox sensitive trace elements in pyrite, including nodules, are increasingly used to infer the chemical conditions of ancient oceans—but considerable uncertainty remains regarding the mechanism and timing of nodule formation. Resolving these uncertainties is important because pyrite nodules must form in connection with the overlying water column, rather than during late diagenesis, to reflect the composition of the global ocean. Existing models for pyrite nodule formation have been specific to pyrite textures from individual sites, and we lack a unified model that can explain the compositional and textural diversity observed in nodules from different localities. In this study we examine ten pyrite nodules from several geological periods (Neoarchean to Carboniferous) using in situ LA-ICP-MS and SHRIMP-SI analyses. We present transects of spot analyses of trace elements (As, Ag, Cu, Co, Ni, Sb and Se) and S isotope ratios for each nodule. The pyrite nodules can be classified according to three main categories: those with (1) little to no trace element or isotopic zonation of the nodule from core to margin, (2) strong zonation from core to margin, and (3) minor zonation near the core but more significant zonation near the margin of the nodule. We further illustrate this zonation with a NanoSIMS element map from an additional pyrite nodule. These results are interpreted to indicate nodule formation along a spectrum between two end-member mechanisms. We suggest that the absence of trace element or isotopic zonation reflects nodule growth by a pathway that is analogous to the pervasive growth mechanism for carbonate nodules. This model involves the production of many nucleation sites that are evenly distributed within the volume that the nodule eventually occupies. Consequently, this mechanism results in a chemically homogenous nodule. Pyrites formed this way are suitable for paleoceanographic reconstruction. The other end-member mechanism is analogous to the concentric growth model for carbonate concretions. In this scenario, the core of the nodule forms first and is followed by the addition of concentric layers—each with a progressively different trace element content and δ 34 S signature as diagenesis progresses. Despite having limited utility for econstructing ancient seawater, these late forming nodules may track the evolving availability of bioessential trace elements for the subsurface biosphere with important implications for global biogeochemical cycles. Finally, spatial trends in trace elements and S isotopes thus speak to the mechanisms of pyrite nodule formation and provide a framework for evaluating nodule suitability for a range of paleoenvironmental studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Minimal multi-element stochastic collocation for uncertainty quantification of discontinuous functions

We propose a multi-element stochastic collocation method that can be applied in high-dimensional parameter space for functions with discontinuities lying along manifolds of general geometries. The key feature of the method is that the parameter space is decomposed into multiple elements defined by the discontinuities and thus only the minimal number of elements are utilized. On each of the resulting elements the function is smooth and can be approximated using high-order methods with fast convergence properties. The decomposition strategy is in direct contrast to the traditional multi-element approaches which define the sub-domains by repeated splitting of the axes in the parameter space. Such methods are more prone to the curse-of-dimensionality because of the fast growth of the number of elements caused by the axis based splitting. The present method is a two-step approach. Firstly a discontinuity detector is used to partition parameter space into disjoint elements in each of which the function is smooth. The detector uses an efficient combination of the high-order polynomial annihilation technique along with adaptive sparse grids, and this allows resolution of general discontinuities with a smaller number of points when the discontinuity manifold is low-dimensional. After partitioning, an adaptive technique based on the least orthogonal interpolant is used to construct a generalized Polynomial Chaos surrogate on each element. The adaptive technique reuses all information from the partitioning and is variance-suppressing. We present numerous numerical examples that illustrate the accuracy, efficiency, and generality of the method. When compared against standard locally-adaptive sparse grid methods, the present method uses many fewer number of collocation samples and is more accurate.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Understanding the effect of minor alloying elements on helium bubble formation in ferritic-martensitic steels

Ferritic-martensitic steels are promising structural materials for advanced nuclear reactors. To minimize long-term radioactivity, reduced-activation ferritic-martensitic steels have been developed by substituting high-activation elements like Ni and Mo with low-activation elements such as W. However, the impact of these alloying modifications on helium bubble formation, which plays a key role in material swelling, remains unclear. Here, in this study, we compared helium bubble formation in ferritic-martensitic steel T91 and reduced-activation ferritic-martensitic steel F82H. Both materials were irradiated with sequential 100 keV, 150 keV, and 200 keV helium ions to a dose of 0.5 dpa and a helium concentration of 9,000 appm at 500°C. The helium bubbles in F82H exhibited a larger average size and a lower density than those in T91, suggesting differences in minor alloying elements may influence the bubble growth. Here, to investigate the effects of these alloying elements, we characterized radiation-induced segregation near bubbles and grain boundaries. Prominent Ni-Mn-Si enriched clusters were found near bubbles in T91, while only Mn-Si enriched clusters were found near bubbles in F82H. In addition, the obvious Cr enrichment near grain boundaries was absent around bubbles in both steels. The different segregation trends among elements revealed the variations in element diffusion mechanisms and the different sink biases between bubbles and grain boundaries. Cr enrichment near grain boundaries is mostly driven by interstitial-mediated diffusion. However, since bubble growth relies on net vacancy flux, vacancy-mediated diffusion plays a dominant role in controlling element segregation near bubbles. Therefore, Cr enrichment was not found near bubbles. Because of preferential vacancy-drag diffusion for Ni, Si and Mn, these elements were enriched near bubbles. Due to the strong binding energies of vacancies with these solute atoms, the vacancy diffusivity can be reduced near these solutes. Therefore, the more prominent Ni-Si-Mn clustered near helium bubbles in T91 lead to stronger suppression of helium bubble growth compared to F82H.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Correlating laser-induced breakdown spectroscopy with neutron activation analysis to determine the elemental concentration in the ionome of the Populus trichocarpa leaf

The black cottonwood poplar (Populus trichocarpa) leaf ionome (inorganic trace elements and mineral nutrients) is an important aspect for determining the physiological and developmental processes contributing to biomass production. A number of techniques are used to measure the ionome, yet characterizing the leaf spatial heterogeneity remains a challenge, especially in solid samples. Laser-induced breakdown spectroscopy (LIBS) has been used to determine the elemental composition of leaves and is able to raster across solid matrixes at 10 μm resolution. Here, we evaluate the use of LIBS for solid sample leaf elemental characterization in relation to neutron activation. In fact, neutron activation analysis is a laboratory-based technique which is used by the National Institute of Standards and Technology (NIST) to certify trace elements in candidate reference materials including plant leaf matrices. Introduction to the techniques used in this research has been presented in this manuscript. Neutron activation analysis (NAA) data has been correlated to the LIBS spectra to achieve quantification of the elements or ions present within poplar leaves. The regression coefficients of calibration and validation using multivariate analysis (MVA) methodology for six out of seven elements have been determined and vary between 0.810 and 0.998. LIBS and NAA data has been presented for the elements such as, calcium, magnesium, manganese, aluminum, copper, and potassium. Chlorine was also detected but it did not show good correlation between the LIBS and NAA techniques. This research shows that LIBS can be used as a fast, high-spatial resolution technique to quantify elements as part of large-scale field phenotyping projects.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Removal of low levels of Cu from ongoing sources in the presence of other elements – Implications for remediated contaminated sediments

Mesocosms were used to research the effects of Cu influx, alone and in the presence of other elements, on sediments remediated by active caps, passive caps, and in situ treatment. Competitive interactions between Cu and other elements were investigated because contaminants often co-occur. Elements in surface water remained at significantly lower concentrations in mesocosms with apatite and mixed amendment caps than in mesocosms with passive sand caps or uncapped sediment. Element concentrations in Lumbriculus variegatus were significantly higher in untreated sediment than in active caps and significantly related to element concentrations in sediment measured by DGT probes. The cumulative toxicity of Cu mixed with other elements was greater than the toxicity of Cu alone in treatments without active caps, but the ability of active caps to control Cu was not affected by the presence of other elements. Active caps can protect remediated sediments by reducing bioavailable elements in ongoing contamination.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Trace element partitioning in ashes from boilers firing pure wood or mixtures of solid waste with respect to fuel composition, chlorine content and temperature

Highlights: • Different solids waste incineration is discussed in grate fired and fluidized bed boilers. • We explained waste composition, temperature and chlorine effects on metal partitioning. • Excessive chlorine content can change oxide to chloride equilibrium partitioning the trace elements in fly ash. • Volatility increases with temperature due to increase in vapor pressure of metals and compounds. • In Fluidized bed boiler, most metals find themselves in fly ash, especially for wood incineration. - Abstract: Trace element partitioning in solid waste (household waste, industrial waste, waste wood chips and waste mixtures) incineration residues was investigated. Samples of fly ash and bottom ash were collected from six incineration facilities across Sweden including two grate fired and four fluidized bed incinerators, to have a variation in the input fuel composition (from pure biofuel to mixture of waste) and different temperature boiler conditions. As trace element concentrations in the input waste at the same facilities have already been analyzed, the present study focuses on the concentration of trace elements in the waste fuel, their distribution in the incineration residues with respect to chlorine content of waste and combustion temperature. Results indicate that Zn, Cu and Pb are dominating trace elements in the waste fuel. Highly volatile elements mercury and cadmium are mainly found in fly ash in all cases; 2/3 of lead also end up in fly ash while Zn, As and Sb show a large variation in distribution with most of them residing in the fly ash. Lithophilic elements such as copper and chromium are mainly found in bottom ash from grate fired facilities while partition mostly into fly ash from fluidized bed incinerators, especially for plants fuelled by waste wood or ordinary wood chips. There is no specific correlation between input concentration of an element in the waste fuel and fraction partitioned to fly ash. Temperature and chlorine content have significant effects on partitioning characteristics by increasing the formation and vaporization of highly volatile metal chlorides. Zinc and cadmium concentrations in fly ash increase with the incineration temperature.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Time-series elemental imaging reveals CAX-dependent redistribution patterns for anoxia recovery

Flooding-induced oxygen deprivation (anoxia) is a challenge to plant survival, necessitating adaptive mechanisms for recovery. This study investigated elemental redistribution during anoxia recovery using time-series elemental imaging to show changes in nutrient distribution. Focusing on the role of Cation/H + Exchangers (CAXs) in Arabidopsis thaliana, we show how mutants deficient in specific CAX transporters (cax1 and the cax1-4 quadruple mutant) respond to anoxia and metal stress. Mutants showed reduced lipid peroxidation and increased expression of flood-tolerance proteins during recovery. X-ray fluorescence microscopy and laser ablation–inductively coupled plasma mass spectrometry were used to show elemental redistribution over time. In wild-type plants (Col-0), post-anoxia elemental distribution resembled the elemental distribution of CAX mutants under normoxic conditions, suggesting that CAX-mediated elemental distribution before anoxia enables faster recovery post-anoxia, rather than affecting remobilization post-anoxia. Although CAX mutants had altered tolerance to excess manganese and copper, leaf metal distribution during metal stress was not altered. Here, these findings introduce the potential utility of time-series elemental imaging to show stress-response phenotypes and the importance of elemental distribution to recovery after anoxia. The novelty of this work lies in resolving spatial distribution patterns in a non-static system to gain insight into mechanisms of stress resilience in plants.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Quantitative elemental imaging in eukaryotic algae

Abstract All organisms, fundamentally, are made from the same raw material, namely the elements of the periodic table. Biochemical diversity is achieved by how these elements are utilized, for what purpose, and in which physical location. Determining elemental distributions, especially those of trace elements that facilitate metabolism as cofactors in the active centers of essential enzymes, can determine the state of metabolism, the nutritional status, or the developmental stage of an organism. Photosynthetic eukaryotes, especially algae, are excellent subjects for quantitative analysis of elemental distribution. These microbes utilize unique metabolic pathways that require various trace nutrients at their core to enable their operation. Photosynthetic microbes also have important environmental roles as primary producers in habitats with limited nutrient supplies or toxin contaminations. Accordingly, photosynthetic eukaryotes are of great interest for biotechnological exploitation, carbon sequestration, and bioremediation, with many of the applications involving various trace elements and consequently affecting their quota and intracellular distribution. A number of diverse applications were developed for elemental imaging, allowing subcellular resolution, with X-ray fluorescence microscopy (XFM, XRF) being at the forefront, enabling quantitative descriptions of intact cells in a non-destructive method. This Tutorial Review summarizes the workflow of a quantitative, single-cell elemental distribution analysis of a eukaryotic alga using XFM.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Schema Elements for Granta Annual Report: FY2024

Granta: Materials Intelligence (Granta: MI) is a commercial database software distributed by Ansys, Inc. that is utilized by the Nuclear Security Enterprise (NSE) to organize and store relevant materials data. Lack of standard and well-documented database schema is the primary obstacle to an NSE materials data management solution, so the objective of this project is to create and document such a schema. In FY21, an approach for designing, documenting, and managing a standard database schema was described based on the creation of schema elements (collections of attributes used to describe particular aspects of the data) to be used as building blocks for creating various database tables without duplication. In FY22, these methods were applied through a multi-site collaboration to create and document the schema elements necessary to build a thermogravimetric analysis (TGA) testing table. In FY23 the schema was expanded to include elements for a differential scanning calorimetry (DSC) table, along with schema for supporting metadata tables including Instruments, Projects, Documents, and Testing Series. In FY24 the following progress was made, again through multi-site collaboration: • The existing schema elements were modified to accommodate thermomechanical analysis (TMA) data, and a table, Test Data: TMA, was created for managing TMA data. • The elements necessary for the following additive manufacturing (AM) data tables (directed at data specific to selective laser sintering AM technology) were created: • AM Builds • AM Processes • AM Part Designs • Built AM Parts • AM Feedstock Materials • AM Feedstock Material Batches • The elements necessary for creating a Calibrated Material Models table were created, and the Calibrated Material Models table was created. In FY25 the existing schema will be deployed on the production enterprise Granta instance on the enterprise secure network. Schema elements will be appended, and new elements created as necessary, to allow the creation of tables specifically to support materials testing, AM process development, and design and analysis for modernization programs.

36 MATERIALS SCIENCE↗