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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Transportation and System Analysis Collaborations in Support of a Federal Consolidated Interim Storage Facility

The U.S. Department of Energy’s Integrated Waste Management (IWM) program under the Office of Nuclear Energy is planning for the future transportation, storage, and eventual disposal of spent nuclear fuel (SNF) and high-level radioactive waste (HLW) from nuclear power plant and waste custodian sites across the United States. To better enable informed decision-making regarding the back end of the nuclear fuel cycle, the IWM program has been sponsoring the development and application of system analysis tools capable of analyzing various options for managing SNF and HLW. With these tools, integrated waste management system (IWMS) architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). System analyses and assessments typically use these modeling and simulation tools to investigate implications of changes in various assumptions and parameters such as acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, start and stop dates of facilities, etc. The Next Generation System Analysis Model (NGSAM) is an agent-based simulation toolkit that is used for a system-level simulation and analysis focused on SNF management in the United States. NGSAM’s primary purpose is to provide a system analyst with capabilities to model the IWMS and gain insights into SNF and HLW management alternatives including the impact of system choices, associated cost estimates, and development of integrated yet flexible approaches. An analyst using NGSAM can define several factors like the number of storage facilities, capacity at each facility, transportation schedules, shipment rates, and other conditions. IWM is also developing the Stakeholder Tool for Assessing Radioactive Transportation (START). START is a web-based geospatial tool developed to provide the visualization and initial evaluation of transportation options associated with future SNF and HLW shipment planning and operations. This includes characterizing safety, economic, and environmental conditions at and in proximity to shipment origins as well as along prospective transportation routes. Information from the START tool can be presented/shared as maps, graphics, geospatial files, and tabular form to enable easy data representation and export functionality. The system analysis, NGSAM, and START teams have been working closely for several years before formalizing this collaboration. START provides the SNF transportation routing information for use in NGSAM. System analysts use the NGSAM tool to generate results (schedule, costs, infrastructure acquisitions, shipment rates, etc.). Subject-matter experts and system analysts work together to inform how NGSAM should model the waste management system. Specifically, this paper discusses the collaborations between the system analysis, NGSAM, and START teams and their accomplishments over the past year. Some examples of these efforts include calibrating and adding data to the START output files to meet NGSAM needs, gaining a better understanding of START data used in NGSAM as well as how updates in START data could result in an improved NGSAM analysis. Detailed examples of various tasks that have been performed by the team will be discussed in the full paper. Continued efforts in this direction are expected in the coming years.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Computational analysis of the tryptophan cation radical energetics in peroxidase Compound $\mathrm{I}$

Three well-characterized heme peroxidases (cytochrome c peroxidase = CCP, ascorbate peroxidase = APX, and Leishmania major peroxidase = LMP) all have a Trp residue tucked under the heme stacked against the proximal His heme ligand. The reaction of peroxidases with H 2 O 2 to give Compound I results in the oxidation of this Trp to a cationic radical in CCP and LMP but not in APX. Considerable experimental data indicate that the local electrostatic environment controls whether this Trp or the porphyrin is oxidized in Compound I. Attempts have been made to place the differences between these peroxidases on a quantitative basis using computational methods. These efforts have been somewhat limited by the approximations required owing to the computational cost of using fully solvated atomistic models with well-developed forcefields. This now has changed with available GPU computing power and the associated development of software. Here we employ thermodynamic integration and multistate Bennett acceptance ratio methods to help fine-tune our understanding on the energetic differences in Trp radical stabilization in all three peroxidases. These results indicate that the local solvent structure near the redox active Trp plays a significant role in stabilization of the cationic Trp radical.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Transportation and Systems Analysis Collaborations in Support of a Federal Consolidated Interim Storage Facility

The U.S. Department of Energy’s Integrated Waste Management (IWM) program under the Office of Nuclear Energy is planning for the future transportation, storage, and eventual disposal of spent nuclear fuel (SNF) and high-level radioactive waste (HLW) from nuclear power plant sites across the United States. To better enable informed decision-making regarding the back end of the nuclear fuel cycle, the IWM program has been sponsoring the development and application of system analysis tools capable of analyzing various options for managing SNF and HLW. With these tools, integrated waste management system (IWMS) architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). System analyses and assessments typically use these modeling and simulation tools to investigate implications of changes in various assumptions and parameters such as acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, start and stop dates of facilities, etc. The Next Generation System Analysis Model (NGSAM) is an agent-based simulation toolkit that is used for a system-level simulation and analysis focused on SNF management in the United States. An analyst using NGSAM has the ability to define several factors like the number of storage facilities, capacity at each facility, transportation schedules, shipment rates, and other conditions. NGSAM’s primary purpose is to provide a system analyst with capabilities to model the IWMS and gain insights into SNF and HLW management alternatives including the impact of system choices, associated cost estimates, and development of integrated yet flexible approaches. IWM is also developing the Stakeholder Tool for Assessing Radioactive Transportation (START). START is a web-based geospatial tool developed to provide visualization and initial evaluation of transportation options associated with future SNF and HLW shipment planning and operations. This includes characterizing safety, economic, and environmental conditions on and in proximity to shipment origins as well as along prospective transportation routes. Information from the START tool can be presented/shared as maps, graphics, geospatial files, and tabular form to enable easy data representation and export functionality. The system analysis, NGSAM, and START teams had been working closely for several years before formalizing this collaboration. START provides the SNF routing information for use in NGSAM. System analysts use the NGSAM tool to generate results (schedule, costs, infrastructure acquisitions, shipment rates, etc.). Subject-matter experts and system analysts work together to inform how NGSAM should model the waste management system. Specifically, this paper discusses the collaborations between the system analysis, NGSAM, and START teams and their accomplishments over the past year. Some examples of these efforts include calibrating and adding data to the START output files to meet NGSAM needs, gaining a better understanding of START data used in NGSAM, as well as how updates in START data could result in an improved NGSAM analysis. Detailed examples of various tasks that have been performed by the team will be discussed in the full paper. Continued efforts in this direction are expected in the coming years.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Inter-valley coherent order and isospin fluctuation mediated superconductivity in rhombohedral trilayer graphene

Superconductivity was recently discovered in rhombohedral trilayer graphene (RTG) in the absence of a moiré potential. Superconductivity is observed proximate to a metallic state with reduced isospin symmetry, but it remains unknown whether this is a coincidence or a key ingredient for superconductivity. Using a Hartree-Fock analysis and constraints from experiments, we argue that the symmetry breaking is inter-valley coherent (IVC) in nature. We evaluate IVC fluctuations as a possible pairing glue, and find that they lead to chiral unconventional superconductivity when the fluctuations are strong. We further elucidate how the inter-valley Hund’s coupling determines the spin-structure of the IVC ground state and breaks the degeneracy between spin-singlet and triplet superconductivity. Remarkably, if the normal state is spin-unpolarized, we find that a ferromagnetic Hund’s coupling favors spin-singlet superconductivity, in agreement with experiments. Instead, if the normal state is spin-polarized, then IVC fluctuations lead to spin-triplet pairing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

A Retrospective Analysis Reveals That the 2021 Outbreaks of African Swine Fever Virus in Ghana Were Caused by Two Distinct Genotypes

African swine fever virus (ASFV) is the causative agent of African swine fever (ASF), a highly infectious and lethal disease of domesticated swine. Outbreaks of ASF have been mostly restricted to the continent of Africa. The outbreaks that have occurred outside of Africa were controlled by extensive depopulation of the domesticated pig population. However, in 2007, an outbreak occurred in the country of Georgia, where ASFV infected wild pigs and quickly spread across eastern Europe. Since the reintroduction of ASF into Europe, variants of the current pandemic strain, ASFV Georgia 2007/01 (ASFV-G), which is classified as Genotype 2 based on p72 sequencing, have been reported in countries within western Europe, Asia, and the island of Hispaniola. Additionally, isolates collected in 2020 confirmed the presence of variants of ASFV-G in Nigeria. Recently, we reported similar variants of ASFV-G collected from domestic pigs suspected of dying of ASF in Ghana in 2022. Here, we retroactively report, based on full-length sequencing, that similar variants were present in Ghana in 2021. The SNP analysis revealed derivatives of ASFV with distinct genetic markers. Furthermore, we identified three full-length ASFV genomes as Genotype 1, indicating that there were two genotypes circulating in proximity during the 2021 ASF outbreaks in Ghana.

Virology↗
DOE OSTI2020

Discovery of a Nearby Young Brown Dwarf Disk

We report the discovery of the youngest brown dwarf with a disk at 102 pc from the Sun, WISEA J120037.79−784508.3 (W1200−7845), via the Disk Detective citizen science project. We establish that W1200−7845 is located in the 3.7{sub −1.4}{sup +4.6} Myr old ε Cha association. Its spectral energy distribution (SED) exhibits clear evidence of an infrared (IR) excess, indicative of the presence of a warm circumstellar disk. Modeling this warm disk, we find the data are best fit using a power-law description with a slope α = −0.94, which suggests that it is a young, Class II type disk. Using a single blackbody disk fit, we find T{sub eff,disk}=521 K and L{sub IR}/L{sub ∗}=0.14. The near-IR spectrum of W1200−7845 matches a spectral type of M6.0 γ ± 0.5, which corresponds to a low surface gravity object, and lacks distinctive signatures of strong Paβ or Brγ accretion. Both our SED fitting and spectral analysis indicate that the source is cool (T {sub eff} = 2784–2850 K), with a mass of 42–58 M {sub Jup}, well within the brown dwarf regime. The proximity of this young brown dwarf disk makes the system an ideal benchmark for investigating the formation and early evolution of brown dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A terminology for in situ visualization and analysis systems

The term "in situ processing" has evolved over the last decade to mean both a specific strategy for visualizing and analyzing data and an umbrella term for a processing paradigm. The resulting confusion makes it difficult for visualization and analysis scientists to communicate with each other and with their stakeholders. To address this problem, a group of over 50 experts convened with the goal of standardizing terminology. This paper summarizes their findings and proposes a new terminology for describing in situ systems. An important finding from this group was that in situ systems are best described via multiple, distinct axes: integration type, proximity, access, division of execution, operation controls, and output type. This paper discusses these axes, evaluates existing systems within the axes, and explores how currently used terms relate to the axes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Magnetic field-temperature phase diagram of the spin-$\frac{1}{2}$ triangular lattice antiferromagnet KYbSe 2

A quantum spin liquid (QSL) is a state of matter characterized by fractionalized quasiparticle excitations, quantum entanglement, and a lack of long-range magnetic order. However, QSLs have evaded definitive experimental observation. Several Yb 3+ -based triangular lattice antiferromagnets with effective 𝑆 = $\frac{1}{2}$ have been suggested to stabilize the QSL state as the ground state. Here, in this work, we build a comprehensive magnetic temperature phase diagram of a high-quality single crystalline KYbSe 2 via heat capacity and magnetocaloric effect down to 30 mK with magnetic field applied along the 𝑎 axis. At zero magnetic field, we observe the magnetic long-range order at 𝑇 N =0.29 K entering 120 degrees ordered state in heat capacity, consistent with neutron scattering studies. Analysis of the low-temperature (𝑇) specific heat (𝐶) at zero magnetic field indicates linear 𝑇 dependence of 𝐶/𝑇 and a broad hump of 𝐶/𝑇 in the proximate QSL region above 𝑇 N . By applying magnetic field, we observe the up-up-down phase with 1/3 magnetization plateau and oblique phases, in addition to two new phases. These observations strongly indicate that while KYbSe 2 closely exhibits characteristics resembling an ideal triangular lattice, deviations may exist, such as the effect of the next-nearest-neighbor exchange interaction, calling for careful consideration for spin Hamiltonian modeling. Further investigations into tuning parameters, such as chemical pressure, could potentially induce an intriguing QSL phase in the material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7

The genome of Escherichia coli O157:H7 bacteriophage vB_EcoM_CBA120 encodes four distinct tailspike proteins (TSPs). The four TSPs, TSP1-4, attach to the phage baseplate forming a branched structure. We report the 1.9 Å resolution crystal structure of TSP2 (ORF211), the TSP that confers phage specificity towards E. coli O157:H7. The structure shows that the N-terminal 168 residues involved in TSPs complex assembly are disordered in the absence of partner proteins. The ensuing head domain contains only the first of two fold modules seen in other phage vB_EcoM_CBA120 TSPs. The catalytic site resides in a cleft at the interface between adjacent trimer subunits, where Asp506, Glu568, and Asp571 are located in close proximity. Replacement of Asp506 and Asp571 for alanine residues abolishes enzyme activity, thus identifying the acid/base catalytic machinery. However, activity remains intact when Asp506 and Asp571 are mutated into asparagine residues. Analysis of additional site-directed mutants in the background of the D506N:D571N mutant suggests engagement of an alternative catalytic apparatus comprising Glu568 and Tyr623. Finally, we demonstrate the catalytic role of two interacting glutamate residues of TSP1, located in a cleft between two trimer subunits, Glu456 and Glu483, underscoring the diversity of the catalytic apparatus employed by phage vB_EcoM_CBA120 TSPs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Play Fairway Analysis: Structurally Controlled Geothermal Systems in the Eastern Great Basin Extensional Regime, Utah

A research team with membership from the University of Utah/Energy & Geoscience Institute, the University of Utah/Dept. of Geology & Geophysics, and the Utah Geological Survey, undertook a play fairway analysis (PFA) for geothermal resources in the Eastern Great Basin (EGB) extensional tectonic regime of western Utah. This is a high-priority region for geothermal exploration because active Basin and Range (B&R) extension with volcanism having a N-S strike is superimposed upon pre-existing E-W belts of plutonic rocks and large-scale structural lineaments. Cumulative heat flow along the N-S strike of the state totals approximately 5 GWt above background stable interior. Three electricity producing power plants currently exist with substantial potential for increase. Succinctly, our PFA approach aims to resolve potential sources of heat and permeability in the region, which are the two principal criteria for establishing a geothermal resource. An initial Phase 1 was carried out using only existing geoscientific data in the area. Criteria selected for focusing heat potential include direct heat flow measurements in boreholes, magnetotelluric (MT) low resistivity anomalies, fluid/gas geochemistry, and proximity to recent volcanic eruptions. Permeability is established through geological structures (fault density, critically stressed areas, seismicity, gravity), and MT low resistivity anomalies. In Phase II of this PFA project, additional geological, geophysical and geochemical data were acquired and analysis carried out primarily over promising composite common risk (CCR) areas initially identified in Phase I in order to focus prospectivity and prepare for drilling recommendations. These prospects are near the Twin Peaks rhyolite field, high heat flow areas north of the producing Cove Fort system, and geophysical structure beneath the Crater Knoll area off the northeast flank of the Mineral Mountains. Additional data included MT site fill-in, structural mapping and analysis using high-resolution imagery, gravity and on-ground mapping, Nodal 3C passive seismic collection, and passive 3He surveying. Heat source and permeability potential are again expressed in terms of their individual common risk segment (CRS) maps, with a color scheme using green for most favorable (low risk) and red for least favorable (high risk). Diverse data types are united through the technique of probability kriging, which establishes prospectivity thresholds for each data type and then computes probability of exceeding that threshold over the PFA area. Modified CRS and CCRS maps are compared to those of Phase I to highlight tighter prospectivity focus. In doing so, the prospectivity threshold for heat was increased significantly to narrow the targeting. In the final Phase III of this project where a recommended deep thermal gradient hole was sited, additional geophysical, geochemical and geological field collection and analysis was carried out to refine drill hole targeting. This includes prospect-scale MT, gravity, structure, passive seismic deployment (Cove Fort area), and detailed 3He isotope profiling. It was the recommendation of the DOE Technical Monitoring Team (TMT) that one or more holes be sited in the north-ern Cove Fort area where legacy TG gradient holes showed high cumulative heat flow. These were to be of moderate depth, 2000-3000 feet, to reach the geothermal fluid table expected to start in excess of 1000 feet depth. The drilling organization stipulated by the DOE/GTO was that of the USGS Research Drilling Program (RDP) centered in Las Vegas, NV. A detailed well plan, appended to this report, was developed principally by Dr. Ben Barker consulting to University of Utah, Dr. Steve Pye on the DOE TMT, Mr. Steven Crawford of the USGS-RDP, and the project PI Phil Wannamaker. However, temperature and possible H 2 S at the systems lead to cancellation of the drilling last-minute as this appeared outside the experience base of the USGS-RDP. We hope to have the opportunity to revisit the test drilling and expand the Play Fairway Analysis of this region at some point in the future.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Hybrid-Supported Bilayers Formed with Mixed-Charge Surfactants on C 18 -Functionalized Silica Surfaces

Mixtures of cationic-anionic surfactants have been demonstrated to spontaneously form ordered monolayers at hydrophobic-hydrophilic boundaries including air-water and oil-water interfaces. Here, confocal Raman microscopy is used to investigate the structure of hybrid-supported surfactant bilayers (HSSBs) formed by deposition of a distal leaflet of mixed cationic-anionic surfactants onto a proximal leaflet of n-alkane (C 18 ) chains on the interior surfaces of chromatographic silica particles. The surface coverage of the two surfactants in a hybrid bilayer was determined from carbon analysis and the relative Raman scattering of their respective head-groups. Within the measurement uncertainty, the stoichiometric ratio of the two surfactants is one-to-one, equivalent to mixed-charge-surfactant monolayers at air-water and oil-water interfaces and consistent with the role of the head-group electrostatic interactions in their formation. When self-assembled on the hydrophobic surface, pairs of oppositely-charged n-alkyl-chain surfactants resemble a phospholipid (phosphati¬dylcholine) molecule, with its zwitterionic head group and two hydrophobic acyl-chain tails. Indeed, the structure of these hybrid-supported surfactant bilayers on C 18 -modified silica surfaces is similar to that of hybrid-supported lipid bilayers (HSLBs) on the same supports, but with denser and more-ordered n-alkyl chains. Hybrid-supported surfactant bilayers exhibit a melting phase transition (gel to liquid-crystalline phase) with structural and energetic characteristics similar to hybrid-supported bilayers prepared from a zwitterionic phospholipid of the same alkyl chain length. These mixed-charge surfactants on n-alkane modified silica are stable in water over time (months), results that suggest the potential use of these hybrid bilayers for generating supported lipid bilayer-like surfaces or for separation applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Scale and Regionality of Nonelectric Markets for U.S. Nuclear Light Water Reactors

This study assesses existing and potential industries that could conceivably be directly coupled to existing nuclear reactors. The goal is to identify the scale, location, and accessibility of the candidate industrial-product markets, as well as process feedstocks that are available near the plants to establish new industries. For example, CO 2 as a feedstock can be combined with H 2 to produce formic acid (FA), transportation fuels, and lubricants. These new plants can be entirely supported with the heat and electricity provided by a nearby NPP. The potential demand for nonelectric industrial products was assessed by documenting current and possible growth of nonelectricity product markets considered. This assessment used DOE- and industry-supported tools, data, and projections to capture regional industrial market opportunities. Electricity-capacity markets that reward large and reliable generators, such as NPPs, were considered because the electricity market will likely continue to be an important revenue source to NPPs. The key is to balance the needs of energy customers so as to optimize revenue for the affiliated energy customers or partners. In most cases, flexible plant energy delivery and power generation for the grid will require either energy storage or a stock of intermediate products to sustain the industrial customers when the NPP dispatches electricity to the grid. A diverse mix of temperate regions with operating NPPs around the U.S.—representing a variety of operating markets, local generation mix, and seasonal climates—were chosen for this market study. Both current and future market opportunities for candidate industrial-product markets surrounding these NPPs were studied. Figure 2 illustrates the regions chosen for this study. The success of developing nonelectric industrial-product markets as alternative revenue-generating sources for LWRs depends, not only on demand from growing existing markets, such as petroleum refining and NH 3 production, but also on the development of new markets such as light-duty (LD) and heavy-duty (HD) hydrogen FCEVs, synfuels, chemical production, biofuels, metal refining, injection of hydrogen into NG pipelines for gas power-generating units, FA, polymers, and close-coupled industrial heat applications, all of which can significantly increase demand relative to current levels while decarbonizing energy sectors. This study also presents a sample analysis of the economics of hydrogen production in an area of Minnesota, considering the capital and operating costs of a hydrogen plant as well as the local market demand for hydrogen. It includes some assumptions on electricity-grid pricing, showing how hydrogen could be integrated with an NPP and be competitive with the incumbent hydrogen-production process, steam methane reforming (SMR). The objectives of this study include: Provide U.S. NPP operators a robust sampling of the market demand location, scale, and accessibility (including storage and transportation) of the wide variety of industrial-product choices that can be produced using nuclear thermal energy and electricity proximate to a subset of U.S. NPPs to inform the industry of the potential opportunity; show examples and trade-off analyses of how U.S. LWR operators can access these markets, including storage and transportation of industrial products to their intended markets; and present a general analysis example for one industrial product (hydrogen) in one region (Minnesota area), including production, storage, and transportation, to show how nuclear-hybrid integrated energy systems (IESs) could access local markets and improve the profitability of an NPP.

03 NATURAL GAS↗
DOE OSTI2022

Distinguishing Unique Earthquakes with Overlapping Signals in Oklahoma

Abstract During routine operations monitoring Oklahoma earthquakes, we found that certain earthquakes occurred closely both in space and time and had overlapping phases at the recording stations. Through further scrutiny and analysis, we determined that rather than being distinctly different earthquakes, some of the earthquakes exhibited multiphase arrivals and longer than expected coda due to unique ray paths that encounter impedance contrasts such as at the sedimentary rock-basement. Of course, some of these events truly were distinct events, which we term overlapping earthquakes, for which perceived coda duration overlaps and obscures the phase arrivals of the second event due to the source proximity in both time and space. We detail our classification scheme to separate the local earthquakes in Oklahoma as single, overlapping earthquakes, or those associated with multiphase arrivals. We forward model seismic wave propagation in a 2D crustal model and develop a methodology that utilizes waveform correlation to distinguish phases from overlapping earthquakes to those from crustal reverberations. Duration analysis shows a more elongated duration, qualitatively similar to the duration produced by overlapping earthquakes, at the sites where multiphase arrivals are observed.

Geochemistry & Geophysics↗
DOE OSTI2026

Conserved Macromolecular Architecture of Poplar Secondary Cell Walls Revealed by ssNMR and Atomistic Modeling

The macromolecular architecture of plant secondary cell walls governs wood's mechanical and biochemical properties, yet its natural intra-species variability remains poorly characterized. Here, we combined 13C solid-state NMR (ssNMR), multivariate statistical analysis, and molecular modeling to profile nanoscale structure across 13 genetically diverse Populus trichocarpa genotypes grown in 13C-enriched atmospheres. SsNMR-derived phenotypes spanning composition, structure, mobility, and inter-polymer proximities reveal a conserved architecture, with a subtle yet coordinated variation organizing into dominant structural and secondary mobility axes. A representative atomistic model captures these features and reproduces experimental metrics. Molecular dynamics simulations support a weak but consistent positive correlation between cellulose abundance and crystalline-like order, with interior cellulose chains enriched in tg (trans-gauche) conformations without expanding crystalline cores. Together, experiment and simulation reveal a genetically buffered, broadly conserved nanoscale architecture across genotypes, where subtle fine-tuning of cellulose bundling and matrix packing balances mechanical performance with biological function.

09 BIOMASS FUELS↗
DOE OSTI2020

Techno-Economic Analysis of Synthetic Fuels Pathways Integrated with Light Water Reactors

The purpose of this work is to identify, model, and compare two possible synfuel production routes utilizing CO 2 as the feedstock. Heat from an LWR nuclear plant is integrated wherever possible as a means to positively affect the economics of the LWR. Process and economic modeling for a conceptual synfuel production plant co-located (or in near proximity) with an LWR is presented, including the cost of CO 2 captured from an ethanol plant, compressed, and transported to the LWR hybrid plant, co-electrolysis of the CO 2 with water in a solid oxide electrolyzing cell (SOEC) system to produce syngas, and thermo-catalytic conversion of the syngas to transportation fuel. The hybrid LWR/synfuels plant is assumed to be located within 50-150 miles of an ethanol plant, e.g., located in the Midwest region of the United States. Performance and nth plant economics for the co-electrolysis-based processes are evaluated and compared with biomass-gasification-based technology for the synfuel routes considered. Sensitivity analysis around the price of CO 2 and electricity, two of the major cost drivers, is presented for each case. Consideration of a carbon credit is also included in the sensitivity analysis.

08 HYDROGEN↗
DOE OSTI2023

NaRuO2: Kitaev-Heisenberg exchange in triangular-lattice setting

Abstract Kitaev exchange, a new paradigm in quantum magnetism research, occurs for 90° metal-ligand-metal links, $${t}_{2g}^{5}$$ t 2 g 5 transition ions, and sizable spin-orbit coupling. It is being studied in honeycomb compounds but also on triangular lattices. While for the former it is known by now that the Kitaev intersite couplings are ferromagnetic, for the latter the situation is unclear. Here we pin down the exchange mechanisms and determine the effective coupling constants in the $${t}_{2g}^{5}$$ t 2 g 5 triangular-lattice material NaRuO 2 , recently found to host a quantum spin liquid ground state. We show that, compared to honeycomb compounds, the characteristic triangular-lattice cation surroundings dramatically affect exchange paths and effective coupling parameters, changing the Kitaev interactions to antiferromagnetic. Quantum chemical analysis combined with subsequent effective spin model simulations provide perspective onto the nature of the experimentally observed quantum spin liquid—it seemingly implies fairly large antiferromagnetic second-neighbor isotropic exchange, and the atypical proximity to ferromagnetic order is related to ferromagnetic nearest-neighbor Heisenberg coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evaluation of genetic diversity, agronomic traits, and anthracnose resistance in the NPGS Sudan Sorghum Core collection

The United States Department of Agriculture (USDA) National Plant Germplasm System (NPGS) sorghum core collection contains 3011 accessions randomly selected from 77 countries. Genomic and phenotypic characterization of this core collection is necessary to encourage and facilitate its utilization in breeding programs and to improve conservation efforts. In this study, we examined the genome sequences of 318 accessions belonging to the NPGS Sudan sorghum core set, and characterized their agronomic traits and anthracnose resistance response. We identified 183,144 single nucleotide polymorphisms (SNPs) located within or in proximity of 25,124 annotated genes using the genotyping-by-sequencing (GBS) approach. The core collection was genetically highly diverse, with an average pairwise genetic distance of 0.76 among accessions. Population structure and cluster analysis revealed five ancestral populations within the Sudan core set, with moderate to high level of genetic differentiation. In total, 171 accessions (54%) were assigned to one of these populations, which covered 96% of the total genomic variation. Genome scan based on Tajima’s D values revealed two populations under balancing selection. Phenotypic analysis showed differences in agronomic traits among the populations, suggesting that these populations belong to different ecogeographical regions. A total of 55 accessions were resistant to anthracnose; these accessions could represent multiple resistance sources. Genome-wide association study based on fixed and random model Circulating Probability (farmCPU) identified genomic regions associated with plant height, flowering time, panicle length and diameter, and anthracnose resistance response. Integrated analysis of the Sudan core set and sorghum association panel indicated that a large portion of the genetic variation in the Sudan core set might be present in breeding programs but remains unexploited within some clusters of accessions. The NPGS Sudan core collection comprises genetically and phenotypically diverse germplasm with multiple anthracnose resistance sources. Population genomic analysis could be used to improve screening efforts and identify the most valuable germplasm for breeding programs. The new GBS data set generated in this study represents a novel genomic resource for plant breeders interested in mining the genetic diversity of the NPGS sorghum collection.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Inclusive Charged-Current Electron Neutrino Interactions in SBND

The Short-Baseline Near Detector (SBND), a 112 ton liquid argon time projection chamber (LArTPC), is the near detector of the Short- Baseline Neutrino Program at Fermilab. Due to its proximity to the Booster Neutrino Beam target, SBND has already seen a record-breaking number of electron neutrino interactions on argon. We present preliminary results from SBND’s differential inclusive electron neutrino charged-current analysis from our first year of beam data, selecting over 2,000 interactions. This analysis will present the largest sample of electron neutrinos on argon to date, as well as the first differential cross section measurement of electron neutrinos. This poster will give an overview of the selection, cross-section extraction, and demonstrate SBND’s detector and electromagnetic shower reconstruction performance through data/MC comparisons.

Tung, Lynn [Chicago U.]↗