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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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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Theoretical and experimental quantification of Suzuki segregation enthalpy and strengthening mechanisms in a binary alloy

Solute segregation to planar defects in metallic alloys has been shown to drastically alter mechanical properties. While various works using first-principles and thermodynamic calculations have studied the fundamental driving forces for solute segregation via the Suzuki criterion, planar defect energy, or a comparison of energies of the HCP-like phase and FCC matrix, a quantitative experimental and computational comparison of equilibrium composition and segregation enthalpies has not yet been reported. In this work, we predict the equilibrium composition and segregation enthalpy to intrinsic stacking faults in a Ni-60Co (at.%) alloy and compare the results to two independent experimental methods. We observed that Co segregates to the innermost two planes of the intrinsic stacking fault, and we found that the experimental segregation enrichment, measured from transmission electron microscopy energy dispersive X-ray spectroscopy, of the faults is 6.8 at.% Co, which is 2.2 at.% less than the predicted value at the same temperature. We also find that the segregation enthalpy measured from the composition profile is −21.1 ± 6.4 meV/atom and separately from differential scanning calorimetry segregation enthalpy is −33.2 meV/atom, whereas the predicted enthalpy is −31 ± 1 meV/atom. Based on these results, we determine that segregation occurs very rapidly, within 8 min at temperatures as low as 36% of the homologous solidus temperature. Furthermore, this analysis provides an overview of the possible dislocation mechanisms responsible for strengthening effects due to solute segregation, and concludes that changes in room temperature hardness from local phase transformation is likely tied to post-segregation room temperature equilibrium partial separation distance.

Ab initio calculation↗
DOE OSTI2025

Flux Upcycling of Degraded Layered Cathodes to LiNi x Mn y Co z O 2 (NMCs) with Gradient Transition Metal Distribution

The rising demand for lithium-ion batteries (LIBs) has intensified the need for efficient recycling methods to address both supply chain constraints and environmental impacts. Direct upcycling, distinguished by its ability to achieve both the structural and compositional integrity of cathode materials, has gained prominence as a sustainable alternative to conventional pyrometallurgical and hydrometallurgical processes. However, the current direct upcycling methods are typically limited by incorporating Li and/or Ni, significantly constraining the adaptability across diverse LiNi x Mn y Co z O 2 (NMCs). Here, in this study, a versatile molten salt approach is reported that expands the scope of direct upcycling by enabling simultaneous incorporation of Li, Ni, and Mn. This methodology facilitates flexible conversion among diverse NMC compositions, including non-stoichiometric Co/Mn systems such as upcycling degraded LiCoO 2 (D-LCO), LiNi 1/3 Mn 1/3 Co 1/3 O 2 (D-NMC111), LiNi 0.8 Mn 0.1 Co 0.1 O 2 (D-NMC811) to surface Mn enriched NMC111, LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC532), and NMC811, respectively. The gradient transition metal distribution in upcycled products, characterized by Mn-enriched outer layers and Co/Ni-enriched cores enhances the interfacial stability of NMC cathodes, addressing critical challenges in long-term performance and structural integrity. These results highlight the potential of flux methods for advancing the upcycling of spent cathodes and producing high-performance materials for next-generation LIBs applications.

lithium -ion batteries↗
DOE OSTI2025

Robust collection and processing for label-free single voxel proteomics

With advanced mass spectrometry (MS)-based proteomics, genome-scale proteome coverage can be achieved from bulk tissues. However, such bulk measurement lacks spatial resolution and obscures tissue heterogeneity, precluding proteome mapping of tissue microenvironment. Here we report an integrated $\underline{w}et$ $\underline{c}ollection$ of single microscale tissue voxels and $\underline{S}urfactant$$-assisted$ $\underline{O}ne$-$\underline{P}ot$ voxel processing method termed wcSOP for robust label-free single voxel proteomics. wcSOP capitalizes on buffer droplet-assisted wet collection of a single voxel dissected by LCM into the PCR tube cap and MS-compatible surfactant-assisted one-pot voxel processing in the collection cap. This convenient method allows reproducible label-free quantification of ~900 and ~4,600 proteins for single voxels at 20 µm × 20 µm × 10 µm (close to single cells) and 200 µm × 200 µm × 10 µm (~100 cells) from fresh frozen human spleen tissue, respectively. 100s-1000s of protein signatures were spatially resolved between spleen red and white pulp regions depending on the voxel size. Region-specific signaling pathways were enriched from single voxel proteomics data. To evaluate its broad applicability, we applied wcSOP-MS to two commonly accessible, OCT-embedded and FFPE, human archived tissues. It enabled to identify spatially resolved proteome changes and enriched pathways between diseased (breast cancer tumor or AD amyloid plaque) and adjacent normal regions. Antibody-based CODEX and IHC imaging validated label-free MS quantitation for single voxel analysis. The wcSOP-MS method paves the way for routine robust single voxel proteomics and spatial proteomics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

3D Continuous Forcing Dataset from 3D Constrained Variational Analysis at SGP

The continuous 3D large-scale forcing (VARANAL3D) data set derived from 3D constrained variational analysis (3DCVA) extends the conventional constrained variational analysis method by incorporating multiple sub-columns within the analysis domain. This advancement introduces spatial variability into the large-scale forcing fields, thereby enriching the data set’s applicability. The VARANAL3D data set spans from 2004 to 2018 and covers a region of 5˚×4.5˚ domain around the ARM SGP site. The analysis domain is divided into 10×9 sub-columns with 0.5˚ resolution. The 3D large-scale forcing data provides necessary variables to drive and evaluate single-column models (SCM), cloud-resolving models (CRM) ,and large-eddy simulations (LES), as well as information for testing model sensitivity to spatial variability of the large-scale forcing data, facilitating more rigorous testing and refinement of physical processes in SCM/CRM/LES.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Developing Asparagaceae1726: An Asparagaceae‐specific probe set targeting 1726 loci for Hyb‐Seq and phylogenomics in the family

Abstract Premise Target sequence capture (Hyb‐Seq) is a cost‐effective sequencing strategy that employs RNA probes to enrich for specific genomic sequences. By targeting conserved low‐copy orthologs, Hyb‐Seq enables efficient phylogenomic investigations. Here, we present Asparagaceae1726—a Hyb‐Seq probe set targeting 1726 low‐copy nuclear genes for phylogenomics in the angiosperm family Asparagaceae—which will aid the often‐challenging delineation and resolution of evolutionary relationships within Asparagaceae. Methods Here we describe and validate the Asparagaceae1726 probe set (https://github.com/bentzpc/Asparagaceae1726) in six of the seven subfamilies of Asparagaceae. We perform phylogenomic analyses with these 1726 loci and evaluate how inclusion of paralogs and bycatch plastome sequences can enhance phylogenomic inference with target‐enriched data sets. Results We recovered at least 82% of target orthologs from all sampled taxa, and phylogenomic analyses resulted in strong support for all subfamilial relationships. Additionally, topology and branch support were congruent between analyses with and without inclusion of target paralogs, suggesting that paralogs had limited effect on phylogenomic inference. Discussion Asparagaceae1726 is effective across the family and enables the generation of robust data sets for phylogenomics of any Asparagaceae taxon. Asparagaceae1726 establishes a standardized set of loci for phylogenomic analysis in Asparagaceae, which we hope will be widely used for extensible and reproducible investigations of diversification in the family.

Plant Sciences↗
DOE OSTI2025

Genomic reconstruction of Bacillus anthracis from complex environmental samples enables high-throughput identification and lineage assignment in Pakistan

Bacillus anthracis, the causative agent of anthrax, is a highly virulent zoonotic pathogen primarily affecting domesticated and wild herbivores. Human exposure to B. anthracis is primarily through contact with infected animals or contaminated animal products. In Pakistan, where livestock vaccines are largely unavailable and infected carcasses are often disposed of improperly, the risk to humans, wildlife and livestock is significant. Currently, the diagnosis of anthrax infections and outbreak tracing necessitates the isolation and culturing of B. anthracis, a process that requires BSL-3 facilities. In this study, we show that positive identification, genome reconstruction and lineage assignment can be accomplished using bioinformatic analysis of DNA extracted directly from environmental samples that would otherwise provide the starting material for isolation and culturing. This approach does not require laboratory target enrichment as is necessary for other pathogens, due in part to the extremely high bacterial load in the bloodstream in the deceased animals. Using these methods, we greatly expand the knowledge of endemic B. anthracis in Pakistan. We provide the first reference B. anthracis genomes from Pakistan since the 1970s and identify A.Br.014 Aust94 as a minor circulating sublineage alongside the dominant A.Br.047 Vollum. Future work will focus on the limits of detection and will determine if this bioinformatic method can be expanded more broadly for B. anthracis or other pathogens to replace typical culture-based methods.

A.Br.047 Vollum↗
DOE OSTI2026

Novel Method for Domestic Stable Isotope Production (CRADA #667) Final Report

This report presents the progress achieved on our chlorine isotope separation efforts in the CRADA #667 agreement. We used a microchannel distillation (MCD) packing structure to enrich HCl isotopes (H35Cl, H37Cl) and an isotachophoresis (ITP) separation to enrich ionic chloride species (35Cl- and 37Cl-). A 2 m tall MCD column was constructed and achieved 264 separation stages over several days, which is well above the goal of 50 stages outlined in the CRADA. The resulting height equivalent to a theoretical plate (HETP) was 0.76 cm. ITP tests were run ~ 24 hours and achieved a single-stage separation factor of 1.559.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Measuring very low radiation doses in PTFE for nuclear forensic enrichment reconstruction

Every country that has made nuclear weapons has used uranium enrichment to do so. Despite the centrality of this technology to international security, there is still no reliable physical marker of past enrichment in the open literature that can be used to perform forensic verification of historically produced weapons on gas centrifuges. We show that the extremely low radioactivity from uranium alpha emissions during enrichment leaves detectable and irreversible calorimetric signatures in the common enrichment gasket material PTFE, allowing for historical reconstruction of past enrichment activities at a sensitivity better than one weapon’s quantity of highly enriched uranium. Fast scanning calorimetry also enables the measurement of recrystallization enthalpies of sequentially microtomed slices, confirming the magnitude and the type of radiation exposure while also providing detection of tampering and a method for analyzing field samples useful for treaty verification. Furthermore, this work opens the door for common items to be turned into precise dosimeters to detect the past presence of radioactivity, nuclear materials, and related activities with high confidence.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2025

Sulfur Conversion to Donor‐Acceptor Ladder Polymer Networks through Mechanochemical Nucleophilic Aromatic Substitution for Efficient CO 2 Photoreduction

The development of synthetic methods capable of converting elemental sulfur into conjugated porous sulfur‐rich polymers remains a great challenge, although direct utilization of this readily available feedstock can significantly enrich its uses and circumvent environmental problems during sulfur storage. Here, we report herein mechanochemical (MC) nucleophilic aromatic substitution (S N Ar) that enables sulfur conversion into thianthrene‐bridged porous ladder polymer networks with dense donor‐acceptor (D−A) molecular junctions. We demonstrate that the key lies in the generation of bent thianthrene units through a solid‐state ball‐milling condensation reaction between 1,2‐dihaloarenes and elemental sulfur. We also show that the assembling of D−A structural motifs into porous networks affords efficient visible‐light‐driven photocatalytic reduction of carbon dioxide (CO 2 ) with water (H 2 O) vapor, in the absence of any additional photosensitizer, sacrificial agents or cocatalysts. Exceptional photoinduced charge separation along with boosted exciton dissociation results in a high‐performance of carbon monoxide (CO) production rate of 306.1 μmol g −1 h −1 with near 100 % CO selectivity, which is accompanied by H 2 O oxidation to O 2 , as confirmed by both experimental and theoretical results. We anticipate this novel MC S N Ar approach will advance processing techniques for direct sulfur utilization and facilitate new possibilities for the synthesis of D−A ladder polymer networks with promising potential in photocatalysis.

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

Iron-Chromium-Aluminum Accident Tolerant Fuel Concept Source Term Accident Sequence Analysis - High Burnup Fuel Source Term Accident Sequence Analysis Supplement

To extend NUREG-1465 and high burnup fuel source term (SAND2023-01313) recommendations, representative radiological releases to containment – patterned after NUREG-1465 – have been evaluated for LWRs utilizing iron-chromium-aluminum (FeCrAl) alloys in place of zirconium-based alloys in major core structures (cladding and fuel canisters) and high burnup fuel with enrichments of 8% and 10% for PWRs and BWRs, respectively. Representative radionuclide releases are generated for this accident tolerant fuel concept by applying non-parametric bootstrap methods to MELCOR simulation results. Accident scenarios considered in this analysis include principle contributors to historical core damage frequency estimates for a range of nuclear reactor technologies representative of the operating U.S.A. fleet of nuclear reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Cr-coated Accident Tolerant Fuel Concept Source Term Accident Sequence Analysis - High Burnup Fuel Source Term Accident Sequence Analysis Supplement

To extend NUREG-1465 and high burnup fuel source term (SAND2023-01313) recommendations, representative radiological releases to containment – patterned after NUREG-1465 – have been evaluated for LWRs utilizing the chromium-coating on major zircaloy structures (cladding and fuel canisters) and high burnup fuel with enrichments of 8% and 10% for PWRs and BWRs, respectively. Representative radionuclide releases are generated for this accident tolerant fuel concept by applying non-parametric bootstrap methods to MELCOR simulation results. Accident scenarios considered in this analysis include principle contributors to historical core damage frequency estimates for a range of nuclear reactor technologies representative of the operating U.S.A. fleet of nuclear reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Multi-Objective Optimization of Uranium Target Assembly–3: A Comparison of Genetic and Traditional Methods

Commonly produced as a byproduct of uranium fission, 99 Mo is a key medical isotope that is in high demand in the United States. An international goal is to switch from medical isotope production technologies that require highly enriched uranium to medical isotope production technologies that require only low-enriched uranium. Niowave Inc. is contributing to this goal by developing an accelerator-driven subcritical assembly called the Uranium Target Assembly (UTA). This work compares the performance of Dakota’s Multi-Objective Genetic Algorithm (MOGA) against traditional sensitivity analysis in the neutronic optimization of the UTA-3 system. The design objectives are k-eigenvalue (k eff ) and natural uranium fission power, which are directly correlated with the amount of 99 Mo produced. Dakota:MOGA did not perform as well as human engineering ingenuity in optimization studies with high numbers of input parameters, such as fuel rod type selection and fuel rod placement. However, Dakota:MOGA did outperform traditional sensitivity analysis in optimization studies with fewer than 20 parameters and revealed the degree to which each parameter influences the optimal design space for k eff and natural uranium fission power (to a lesser extent). As the design model became more complex in the final stage of design, the computational resources required to calculate the design objective values in the Monte Carlo N-Particle transport code from selected input parameter combinations limited Dakota:MOGA’s performance, and, unfortunately, human intervention was required to discern the optimal design space. In conclusion, future work will attempt to reduce computational resource constraints by incorporating areduced-order neutronics model into the optimization cycle.

Accelerator-driven systems↗
DOE OSTI2024

Quantile regression-enriched event modeling framework for dropout analysis in high-temperature superconductor manufacturing

High-temperature superconductor (HTS) tapes have shown promising characteristics of high critical current, which are prerequisites for applications in high-field magnets. Due to the unstable growth conditions in the HTS manufacturing process, however, the frequent occurrences of dropouts in the critical current impede the consistent performance of HTS tapes. To manufacture HTS tapes with large scale, high yield, and uniform performance, it is essential to develop novel data analysis approaches for modeling the dropouts and identifying the related important process parameters. Conventional methods for modeling recurrent events, such as the point process, require the extraction of events from quality measurements. As the critical current is a continuous process, it may not comprehensively represent the drop patterns by transforming the time-series measurements into a set of events. Here, to solve this issue, we develop a novel quantile regression-enriched event modeling (QREM) framework that integrates the non-homogeneous Poisson process for modeling the occurrence of dropouts and the quantile regression for capturing the drop patterns. By incorporating the feature selection and regularization, the proposed framework identifies a set of significant process parameters that can potentially cause the dropouts of HTS tapes. The proposed method is tested on real HTS tapes produced using an advanced manufacturing process, successfully identifying important parameters that influence dropout events including the substrate temperature and voltage. The results demonstrate that the proposed QREM method outperforms the standard point process in predicting the occurrence of dropouts.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Detecting Masquerade Attacks in Controller Area Networks Using Graph Machine Learning

Modern vehicles rely on a myriad of electronic control units (ECUs) interconnected via controller area networks (CANs) for critical operations. Despite their ubiquitous use and reliability, CANs are susceptible to sophisticated cyberattacks, particularly masquerade attacks, which inject false data that mimic legitimate messages at the expected frequency. These attacks pose severe risks such as unintended acceleration, brake deactivation, and rogue steering. Traditional intrusion detection systems (IDS) often struggle to detect these subtle intrusions due to their seamless integration into normal traffic. This paper introduces a novel framework for detecting masquerade attacks in the CAN bus using graph machine learning (ML). We hypothesize that the integration of shallow graph embeddings with time series features derived from CAN frames enhances the detection of masquerade attacks. We show that by representing CAN bus frames as message sequence graphs (MSGs) and enriching each node with contextual statistical attributes from time series, we can enhance detection capabilities across various attack patterns compared to using graph-based features only. Our method ensures a comprehensive and dynamic analysis of CAN frame interactions, improving robustness and efficiency. Extensive experiments on the ROAD dataset validate the effectiveness of our approach, demonstrating statistically significant improvements in the detection rates of masquerade attacks compared to a baseline that uses graph-based features only as confirmed by Mann-Whitney U and Kolmogorov-Smirnov tests (p < 0.05) .

Marfo, William [Univ. of Texas, El Paso, TX (Unite↗
DOE OSTI2025

Baseline Cost Analysis of Energy Wastewater Treatment with Preliminary Feasibility Analysis of Critical Mineral Recovery

Critical mineral recovery from wastewater is an enhancement of conventional mining that can help meet growing demand. This work investigates two energy wastewaters that have previously been shown to be enriched in critical minerals, oil and gas produced water in the Permian Basin and combustion residual leachate. Treatment of these two wastewaters using reverse osmosis or thermal-based methods concentrates critical minerals, which improves the economic viability of critical mineral recovery. Revenue from mineral recovery could also offset treatment costs for operators. This work evaluates the cost of treatment for each wastewater and evaluates the potential revenue from critical minerals concentrated in the brine. The levelized cost of water for combustion residual leachate ranges from USD 1.90 to USD 16.20 (USD 2023/m 3 permeate) and for produced water ranges from USD 14.40 to USD 24.30 (USD 2023/m 3 distillate). Recovery opportunities range from USD 0.11 to USD 1.13 (USD 2023/m 3 permeate) for leachate and from USD 8.28 to USD 42.10 (USD 2023/m 3 distillate) for produced water, dominated by the value of magnesium and lithium. Comparing the maximum value of critical minerals contained in produced water and the maximum treatment costs, the value of critical minerals exceeds the cost of treatment by USD 17.80/m 3 distillate, which signals a potential revenue opportunity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Production and Purification of Terbium-155 Using Natural Gadolinium Targets

Terbium-155 (t 1/2 = 5.32 days) is one of four medically relevant radioisotopes of terbium. It is of interest to the field as a suitable diagnostic counterpart for therapeutic radiolanthanides, as its decay scheme includes γ-rays that are suitable for single photon emission computed tomography (SPECT) imaging. Additionally, 155 Tb has an Auger electron (AE) yield that is viable for AE therapy. There are several direct and indirect production routes that can produce 155 Tb. Two possible direct routes include proton irradiation on gadolinium targets via 155 Gd(p,n) 155 Tb and 156 Gd(p,2n) 155 Tb. The 155 Gd(p,n) 155 Tb reaction is accessible at incident proton beam energies of ∼10 MeV, whereas the 156 Gd(p,2n) 155 Tb nuclear reaction requires ∼18 MeV. This study aims to investigate the production of 155 Tb from natGd through the nat Gd(p,x) nuclear reaction, wherein both (p,n) and (p,2n) reactions were leveraged, and the purification using a three-column ion chromatography method. Using this system, recoveries of radioterbium of up to 97% were achieved in addition to high recoveries of the Gd target material, illustrating the suitability of this technique for enriched targets.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Identification of Yarrowia lipolytica as a platform for designed consortia that incorporate in situ nitrogen fixation to enable ammonia-free bioconversion

Bioconversion processes require nitrogen for growth and production of intracellular enzymes to produce biofuels and bioproducts. Typically, this is supplied as reduced nitrogen in the form of ammonia, which is produced offsite from N 2 and H 2 via the Haber-Bosch process. While this has revolutionized industries dependent on fixed nitrogen (e.g., modern agriculture), it is highly energy-intensive and its reliance on natural gas combustion results in substantial global CO 2 emissions. Here we investigated the feasibility of in situ biological nitrogen fixation from N 2 gas as a strategy to reduce greenhouse gas impacts of aerobic bioconversion processes. We developed an efficient and cost-effective method to screen fungal bioconversion hosts for compatibility with the free-living diazotrophic bacterium Azotobacter vinelandii under nitrogen fixing conditions. Our screening revealed that the genus Yarrowia is particularly enriched during co-culture experiments. Follow-up experiments identified four Y. lipolytica strains (NRRL Y-11853, NRRL Y-7208, NRRL Y-7317, and NRRL YB-618) capable of growth in co-culture with A. vinelandii. These strains utilize ammonium secreted during diazotrophic fixation of N 2 , which is provided as a component of the air input stream during aerobic fermentation. This demonstrates the feasibly of in situ biological nitrogen fixation to support heterotrophic fermentation processes for production of fuels and chemicals.

09 BIOMASS FUELS↗
DOE OSTI2024

Microstructure Optimization and Novel Processing Development of ODS Steels for Fusion Environments (Final ARPA-E Report)

This project aimed to develop scalable, cost-effective fabrication of high-performance, oxide- dispersion-strengthened (ODS) steel using advanced manufacturing methods (AMMs) for fusion blanket-breeding applications. Gas atomization reaction synthesis (GARS) enables the synthesis of precursor ODS steel powders without prolonged mechanical alloying. This process creates a chromium (Cr)-enriched surface oxide with yttrium/titanium (Y/Ti)-enriched intermetallics in powder interiors. GARS powders were consolidated to >99% of the theoretical density using a first-of-a-kind shear assisted processing and extrusion (ShAPE) and laser-based powder bed fusion (L-PBF) AM processes. These processes led to ODS steels containing a high-density of nano-oxide dispersoids that enhance high-temperature mechanical properties. Such scalable, cost-effective fabrication of ODS steels can enable efficient power conversion cycles (=40%) at operating temperatures beyond 900 K in future fusion power plants.

36 MATERIALS SCIENCE↗