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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Positron sources: from conventional to advanced accelerator concepts-based colliders

Positron sources are the key elements for the future and current lepton collider projects such as ILC, CLIC, SuperKEKB, FCC-ee, Muon Collider/LEMMA, etc., introducing challenging critical requirements for high intensity and low emittance beams in order to achieve high luminosity. In fact, due to their large production emittance and constraints given by the target thermal load, the main collider parameters such as the peak and average current, the emittances, the damping time, the repetition frequency and consequently the luminosity are determined by the positron beam characteristics. In this work, the conventional positron sources and their main properties are explored for giving an indication to the challenges that apply during the design of the advanced accelerator concepts. The photon-driven positron sources as the novel approach proposed, primarily for the future linear colliders, are described highlighting their variety and problematic.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Opacity Table Generation

Radiation opacity is a key property of material systems which describes the absorption and scattering of photons. Such processes are an important part of energy transport, diagnostics, and astrophysical phenomena. Recent experiments in iron opacity and continuum lowering have sparked renewed interest in and careful vetting of opacity models. Even within the local thermodynamic equilibrium approximation, opacity varies over a large parameter space: material, temperature, density, and energy. Opacity tables that span wide regimes of this parameter space are of prime importance to radiation-hydrodynamics codes. Accurate opacity calculations cannot be achieved inline during a radiation hydrodynamics simulation since they involve accounting for all possible electron transitions of all important atomic states of a thermal ensemble. Livermore’s current framework utilizes precalculated tables at many densities, temperatures, and energies. Last year, the opacity theory team completed an L2 milestone concerning the development of a new code, Opus, which served the dual purpose of creating a modern code infrastructure and version control as well as the basis for training new members of that team, a critical need as key members near or are passed retirement. For the current L2 milestone, we exercised and validated Opus on three elements: boron, carbon, and nitrogen, which have few enough electrons to allow a careful convergence study over many input parameters. Here, we report on the production of new tables, show their convergence with respect to important parameters, state some of their limitations, and document a mostly automated production process. In this section, we address the milestone completion criteria, found on the title page and the subsection headings. In section 2, we validate Opus against Tycho and compare with TabOp and Atomic. Section 3 details some of the physics implemented in Opus and relevant to this report. We then cover details of the density-temperature grid in section 4 and do a spectral comparison between different parameter settings and different codes in section 5. After summarizing these results in section 6, we give instructions how to run the opacity table scripts in appendix A and document the scripts and input/output files in appendix B.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Advances in Modeling Capabilities for Critical Mineral Separation Technologies: A PrOMMiS Overview

This is an oral presentation at the TechConnect conference on the work developed by PrOMMiS. PrOMMiS builds on and extends capabilities developed within the Department of Energy’s (DOE) Institute for the Design of Advanced Energy Systems (IDAES), Integrated Platform, and Water Treatment Technoeconomic Assessment Platform (WaterTAP), which have been successfully leveraged by other Department of Energy research areas. The open-source toolkit facilitates validation, reproducibility, and accountability, allowing for easy extension of the framework to other systems. This talk presents an overview of the PrOMMiS capabilities, including unit model library, advances in thermophysical properties models, and capital cost libraries for simulation and optimization of mineral processing technologies. The PrOMMiS applications include (1) conceptual design and superstructure optimization for screening different process configurations and identifying promising technologies; (2) dynamic modeling and optimization to enable the creation of digital twins; (3) surrogate modeling tools to leverage data when predictive thermodynamic models are not currently available; (4) technical risk reduction via uncertainty quantification and robust optimization to identify process designs that are robust to process variability and uncertainties; and (5) deployment of uncertainty quantification tools to maximize knowledge gained from experimental campaigns, while reducing the number of experiments required

critical minerals and materials↗
DOE OSTI2022

The PagKNAT2/6b-PagBOP1/2a Regulatory Module Controls Leaf Morphogenesis in Populus

Leaf morphogenesis requires precise regulation of gene expression to achieve organ separation and flat-leaf form. The poplar KNOTTED-like homeobox gene PagKNAT2/6b could change plant architecture, especially leaf shape, in response to drought stress. However, its regulatory mechanism in leaf development remains unclear. In this work, gene expression analyses of PagKNAT2/6b suggested that PagKNAT2/6b was highly expressed during leaf development. Moreover, the leaf shape changes along the adaxial-abaxial, medial-lateral, and proximal-distal axes caused by the mis-expression of PagKNAT2/6b demonstrated that its overexpression (PagKNAT2/6b OE) and SRDX dominant repression (PagKNAT2/6b SRDX) poplars had an impact on the leaf axial development. The crinkle leaf of PagKNAT2/6b OE was consistent with the differential expression gene PagBOP1/2a (BLADE-ON-PETIOLE), which was the critical gene for regulating leaf development. Further study showed that PagBOP1/2a was directly activated by PagKNAT2/6b through a novel cis-acting element “CTCTT”. Together, the PagKNAT2/6b-PagBOP1/2a module regulates poplar leaf morphology by affecting axial development, which provides insights aimed at leaf shape modification for further improving the drought tolerance of woody plants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Investigating Radiation-Induced Actinide Species in Solution

Used nuclear fuel (UNF) separation techniques that strive to separate radiotoxic americium (Am) from trivalent lanthanide fission products through oxidation state control have increased research efforts surrounding Am(V) and Am(VI). However, equivalent knowledge of the tetravalent state, Am(IV), has remained elusive, particularly in conditions more representative of UNF reprocessing, i.e., in concentrated nitric acid (HNO3). With this in mind, we have used electron pulse radiolysis to study the radiation-induced redox reaction of Am(III) with the oxidizing nitrate radical (NO3?) in 6 M HNO3: Am(III) + NO3? ? Am(IV) + NO3? . These experiments enabled us to observe the growth and decay of Am(IV) in a concentrated acidic solution for the first time. The transient Am(IV) species was found to have a lifetime of ~16 µs?sufficiently long-lived to play a critical mechanistic role in UNF reprocessing systems. Additionally, we performed the first-ever temperature-dependent kinetics study of an actinide element, elucidating unprecedented Arrhenius and Eyring activation parameters for the reaction of Am(III) with NO3?. This new knowledge provides much-needed molecular-level insights into the radiation-induced behavior of Am.

actinide↗
DOE OSTI2022

Optimization of screw design for continuous wet granulation: A case study of metoprolol succinate ER tablets

This study aimed at understanding the effect of screw design on the critical characteristics of granules and tablets of an extended-release (ER) formulation for twin screw granulation process. The screw design parameters assessed included number of kneading elements (KEs) per kneading zone, distance separating kneading zones, staggering angle (SA) of kneading elements and number of sizing elements (SEs). These input variables were varied using a design of experiment (DoE) approach to manufacture granules. Particle size distribution (PSD), flow and bulk properties of the granules, breaking strength and dissolution of tablets manufactured using these granules were characterized. The results of least square fitting showed that KEs, SA, and SEs of the screws significantly (p -values < 0.05) affected the PSD, cohesion, compressibility (CPS), conditioned bulk density (CBD) and permeability of the granules. The KEs and SEs significantly (p -value < 0.05) affected the dissolution, which was attributed to their effects on CPS and CBD of the granules. The distance between kneading zones had no significant effect on granules and tablet characteristics. Finally, these results may be used to further study the interaction of the identified critical screw design parameters with other processing parameters for continuous manufacturing of this ER matrix-based tablet formulation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Assessment of Critical Experiment Benchmark Applicability to a Large-Capacity HALEU Transportation Package Concept

This work presents an assessment of the applicability of existing benchmark critical experiments to the criticality safety code validation for a large-capacity high-assay low-enriched uranium (HALEU) transportation package concept. Numerous next-generation nuclear reactor designs require HALEU fuel, which is characterized by an enrichment between 5 and 20 wt% 235 U. The U.S. Department of Energy (DOE) has proposed to recover and downblend highly enriched uranium from DOE-owned used nuclear fuel to accelerate the demonstration of commercially viable microreactor technologies. One element of the infrastructure needed to demonstrate HALEU-fueled reactors is the ability to safely transport enriched product to be used for fuel fabrication. There is uncertainty as to whether existing critical benchmark experiment data are sufficient to support criticality safety code validation for HALEU transportation applications. The anticipated chemical form of the HALEU in the proposed transportation concept is UO 2 with 20 wt% 235 U/U. The concept uses a combination of an existing transportation packaging design and a novel basket design, including borated aluminum flux traps. The basket provides space for 18 reusable, stainless steel canisters that contain the HALEU. In 10 CFR 71, normal conditions of transport (NCTs) and hypothetical accident conditions (HACs) are defined for fissile material transportation packages. NCT and HAC KENO-VI models of the transportation package were developed using the Standardized Computer Analyses for Licensing Evaluation (SCALE) 6.2.3 computer code package, and optimum moderation conditions were determined using the SCALE SAMPLER sequence. The SCALE Tools for Sensitivity and Uncertainty Analysis Methodology Implementation (TSUNAMI) sequences were then used to compare the neutronic characteristics of 1584 International Criticality Safety Benchmark Evaluation Project benchmark critical experiments with the NCT and HAC HALEU transportation models. The TSUNAMI integral correlation coefficient c k was the criterion used to rank neutronic similarity. Thirty-four experiments were identified as similar (c k ≥ 0.9) to the NCT model, and 55 experiments were identified as similar to the HAC model. Hundreds of experiments were also identified as at least marginally similar (c k ≥ 0.8) to both models. The results indicate that additional critical experiments are unlikely to be needed to support HALEU transportation criticality safety analyses for package concepts similar to the concept package analyzed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Microstructure-Based Estimation of Strength and Ductility Distributions for \(\alpha +\beta \) Titanium Alloys

Titanium alloys are processed to develop a wide range of microstructure configurations and therefore material properties. While these properties are typically measured experimentally, a framework for property prediction could greatly enhance alloy design and manufacturing. In this work, a microstructure-sensitive framework is presented for the prediction of strength and ductility as well as estimates of the bounds in variability for these properties. The framework explicitly considers distributions of microstructure via new approaches for instantiation of structure in synthetic samples. The parametric evaluation strategy, including the finite element simulation package FEpX, is used to create and test virtual polycrystalline samples to evaluate the variability bounds of mechanical properties in Ti-6Al-4V. Critical parameters for the property evaluation framework are provided by measurements of single crystal properties and advanced characterization of microstructure and slip system strengths in 2D and 3D. Property distributions for yield strength and ductility are presented, along with the validation and verification steps undertaken. Comparisons between strain localization and slip activity in virtual samples and in experimental grain-scale strain measurements are also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

UV-Vis spectrophotometric determination of rare earth elements (REE) speciation at near-neutral to alkaline pH. Part I: m-cresol purple properties from 25-75 °C and Er hydrolysis

The speciation and mobility of rare earth elements (REE) strongly depends on pH which controls the formation of charged aqueous hydroxyl species. The latter potentially play an important role in controlling heavy REE adsorption on clay minerals in near-neutral to alkaline waters such as in regolith-hosted REE mineral deposits. However, accurate REE hydrolysis constants are needed for developing geochemical models that can predict the role of these charged species in natural systems. Here, we develop a robust experimental UV-Vis spectrophotometric method using m-cresol purple to determine in situ pH from 25 to 75 °C. This method is used to derive the average ligand number and hydrolysis constants of erbium (Er) at 25 °C in aqueous solutions with low ionic strength (≤ 0.001 mol/L) at pH from ~7 to 9.5 and in the presence of Er concentrations from 0 to 0.057 mM. The average ligand number ranges between 1 and 3 indicating that Er(OH) 2+ , Er(OH) 2 + and Er(OH) 3 0 control speciation in the experiments. The logarithm of the Er hydrolysis constants (log*β n ° , n= 1 to 3) derived at infinite dilution for the reaction Er 3+ + nH 2 O = Er(OH) n 3-n + nH + are: *β 1 ° = –7.22 ± 0.10, *β 2 ° = –14.52 ± 0.08, *β 3 ° = –23.24 ± 0.04. Implementation of these experimental data into a geochemical model indicates that the Er(OH) 2 + and Er(OH) 3 0 species are both stable in a much wider pH range than previously predicted. Consequently, the positively charged REE hydroxyl complexes can potentially control the fractionation of light vs. heavy REE via adsorption as observed in the formation of certain regolith-hosted REE deposits.

58 GEOSCIENCES↗
DOE OSTI2024

Machine Learning Design of Perovskite Catalytic Properties

Abstract Discovering new materials that efficiently catalyze the oxygen reduction and evolution reactions is critical for facilitating the widespread adoption of solid oxide fuel cell and electrolyzer (SOFC/SOEC) technologies. Here, machine learning (ML) models are developed to predict perovskite catalytic properties critical for SOFC/SOEC applications, including oxygen surface exchange, oxygen diffusivity, and area specific resistance (ASR). The models are based on trivial‐to‐calculate elemental features and are more accurate and dramatically faster than the best models based on ab initio‐derived features, potentially eliminating the need for ab initio calculations in descriptor‐based screening. The model of ASR enables temperature‐dependent predictions, has well calibrated uncertainty estimates and online accessibility. Use of temporal cross‐validation reveals the model to be effective at discovering new promising materials prior to their initial discovery, demonstrating the model can make meaningful predictions. Using the SHapley Additive ExPlanations (SHAP) approach, detailed discussion of different approaches of model featurization is provided for ML property prediction. Finally, the model is used to screen more than 19 million perovskites to develop a list of promising cheap, earth‐abundant, stable, and high performing materials, and find some top materials contain mixtures of less‐explored elements (e.g., K, Bi, Y, Ni, Cu) worth exploring in more detail.

25 ENERGY STORAGE↗
DOE OSTI2024

Distributed sustainable metals production: opportunities for intensifying separations & alternative feedstocks

Meeting the increased demand for rare earth elements and beyond primary mined ore. Secondary sources like phosphogypsum, coal fly ash, used nuclear fuel, and electronic waste are concentrated sources of critical minerals. One strategy for a resilient supply chain is to decentralize sourcing and hydrometallurgical processing of metals. Rotating packed beds (RPBs) for solid-phase extraction and liquid-liquid extraction are gaining momentum for their ability to increase process throughput by 5-10x the state of the art. In conclusion, this review discusses advances in hydrometallurgical RPB processes and opportunities for implementation in distributed metals production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Impact-induced twinning in a magnesium alloy under different stress conditions

We investigate deformation twinning in a highly textured magnesium alloy plate of Mg-3.1%Al-0.9%Zn-0.4%Mn under edge-on impact with in situ, synchrotron-based, ultrafast X-ray diffraction measurements, and corresponding stress states are simulated with the finite element method. Deformation twinning and its anisotropy under the triaxial stress condition are explained by a statistical analysis of resolved shear stress. The critical resolved shear stress criterion is applicable under complicated stress conditions induced by high strain rate impact loading. Three typical simple stress conditions are further explored as verification and application cases: uniaxial-stress, uniaxial-strain, and plane-stress. Extension twinning in the magnesium alloy is prone to occur for impact loading applied perpendicular to the crystallographic c-axis, regardless of the exact stress conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The Core-collapse Supernova Sensitivity Machine (Final Technical Report)

Core-collapse supernovae are vital phenomena for understanding the extreme physics of stellar evolution, nuclear interactions, and the origins of elements in the universe. This project developed high-resolution 3D simulations and innovative 1D turbulence models to study the explosion mechanisms, yielding critical insights into the role of turbulence, magnetohydrodynamics, and neutrino physics. The outcomes include enhanced sensitivity analyses connecting nuclear physics inputs to observable supernovae characteristics, tools for the broader research community, and substantial contributions to the training of future scientists.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Synopsis of NREL's Automated Mobility District (AMD) Research Program and Associated Publications

An automated mobility district (AMD) envisions a system of integrated mobility options that serves major activity centers such as campuses, central business districts, and large medical facilities. The National Renewable Energy Laboratory (NREL) has been investigating the implementation prospects for fully automated passenger transport systems that are deployed to operate within dense urban settings. This document provides a synopsis of findings revealed over the last three phases of work, which have yielded insights into the creation and management of AMDs anticipated to use automated vehicle (AV) technology over the next decade. Phase I and Phase II tracked the deployment and lessons learned from 10 early-stage demonstrations of automated shuttle deployments, and their associated insights into the challenges for automated driving systems to achieve safe operations within district-scale deployments. Phase III began in-depth investigations of critical subsystem components, as automation, electrification, and on-demand service continue to converge within initial AMD operations. These directed studies focus on elements of electrification, curbfront/station management, the role of infrastructure sensing, and overall integration of AMD safety management in central, simultaneous coordination of multiple AMD fleets. Future research in AMDs includes systems engineering methodology (more frequently referred to as "digital twins") for planning, design, testing, and ongoing operation of AMDs; location (or co-location) of management functions; and human supervision and passenger communications for safety and security in unattended vehicles. The synopsis references the foundational research products (papers and presentations) that have been published through conference proceedings, journal articles, and NREL reports.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Extreme hardness at high temperature with a lightweight additively manufactured multi-principal element superalloy

Materials are needed that can tolerate increasingly harsh environments, especially ones that retain high strength at extreme temperatures. Higher melting temperature alloys, like those consisting primarily of refractory elements, can greatly increase the efficiency of turbomachinery used in grid electricity production worldwide. Existing alloys, including Ni- and Co-based superalloys, used in components like turbine blades, bearings, and seals, remain a performance limiting factor due to their propensity, despite extensive optimization efforts, for softening and diffusion-driven elongation at temperatures often well above half their melting point. To address this critical materials challenge, we present results from integrating additive manufacturing and alloy design to guide significant improvements in performance via traditionally difficult-to-manufacture refractory alloys. We present an example of a multi-principal element alloy (MPEA), consisting of five refractory elements and aluminum, that exhibited high hardness and specific strength surpassing other known alloys, including superalloys. The alloy shows negligible softening up to 800°C and consists of four compositionally distinct phases, in distinction to previous work on MPEAs. Density functional theory calculations reveal a thermodynamic explanation for the observed temperature-independent hardness and favorability for the formation of this multiplicity of phases.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Understanding and Modeling Pooled Rideshare Acceptance: Influential Factors, Preferred User Experiences, and Implications

Ridesharing allows people to share a vehicle with others traveling in the same direction, which can reduce costs and traffic congestion. Pooled rideshare (PR) services, such as UberX Share and Lyft Shared, offer an economical and environmentally friendly alternative by matching passengers traveling similar routes. However, despite these benefits, PR adoption remains low due to concerns about safety, privacy, and convenience. This research explores the factors influencing PR adoption and provides recommendations to improve user acceptance. A nationwide survey of 5,385 participants across the U.S. was conducted to understand why people choose or avoid PR. The study identified five key factors influencing PR consideration: safety, service experience, privacy, traffic/environment, and time/cost. Additional research examined ways to optimize PR experiences by identifying four critical factors: comfort/ease of use, convenience, vehicle technology/accessibility, and passenger safety. To measure the impact of these factors, a statistical model called the Pooled Rideshare Acceptance Model (PRAM) was developed, providing insights into how each element influences PR adoption. Further analysis using the Pooled Rideshare Acceptance Model Multigroup Analyses (PRAMMA) revealed how demographic characteristics such as age, gender, income, and past rideshare experience shape PR perceptions. Some key findings from the multigroup analyses showed that younger users valued technological features and environmental benefits, while older users prioritized reliability and service transparency. Additionally, privacy concerns were more significant for female users, while convenience was critical for higher-income groups. These results emphasize that a 'onesize-fits-all' approach to PR service design is not effective, highlighting the need for tailored strategies to address different user segments. Further, workshops were conducted with researchers and students to translate the findings into real-world solutions. These workshops and 3 all the statistical analyses led to the development of 95 actionable recommendations. The recommendations focus on key areas such as safety, service reliability, user education, and accessibility, offering tangible improvements to PR services. The insights from this study provide valuable guidance for policymakers, transportation network companies (TNCs), and researchers aiming to make PR services safer, more accessible, and widely accepted. By addressing user concerns, PR can become a more viable transportation option, supporting sustainable urban mobility and reducing reliance on private vehicles. Additionally, these findings emphasize the importance of user-centric service design in encouraging broader PR adoption. Future research should explore evolving trends in PR preferences, technological advancements, and policy changes to ensure continued improvements. By implementing these recommendations, PR services can better align with user expectations, enhance trust in shared mobility, and contribute to a more efficient transportation ecosystem.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Progressive growth of the solid–electrolyte interphase towards the Si anode interior causes capacity fading

The solid–electrolyte interphase (SEI), a layer formed on the electrode surface, is essential for electrochemical reactions in batteries and critically governs the battery stability. Active materials, especially those with extremely high energy density, such as silicon (Si), often inevitably undergo a large volume swing upon ion insertion and extraction, raising a critical question as to how the SEI interactively responds to and evolves with the material and consequently controls the cycling stability of the battery. Here, by integrating sensitive elemental tomography, an advanced algorithm and cryogenic scanning transmission electron microscopy, we unveil, in three dimensions, a correlated structural and chemical evolution of Si and SEI. Furthermore, corroborated with a chemomechanical model, we demonstrate progressive electrolyte permeation and SEI growth along the percolation channel of the nanovoids due to vacancy injection and condensation during the delithiation process. Consequently, the Si–SEI spatial configuration evolves from the classic ‘core–shell’ structure in the first few cycles to a ‘plum-pudding’ structure following extended cycling, featuring the engulfing of Si domains by the SEI, which leads to the disruption of electron conduction pathways and formation of dead Si, contributing to capacity loss. The spatially coupled interactive evolution model of SEI and active materials, in principle, applies to a broad class of high-capacity electrode materials, leading to a critical insight for remedying the fading of high-capacity electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Unraveling the Mechanics: Computational Modeling of Residual Stresses in U10Mo Fuel with Aluminum Cladding

LEU (Low Enriched Uranium) plate-type fuel elements consist of a high-density, low-enrichment U–Mo alloy-based fuel foil encapsulated in an aluminum cladding and is fabricated through the Hot Isostatic Pressing (HIP) technique. Understanding the mechanism of possible failure modes of nuclear fuel is critical to mitigate potential consequences. One of the major contributing factors in various failure modes is stress and it greatly affects the integrity under temperature, pressure, and irradiation. These stresses could originate from various sources, including manufacturing, and operation, and can lead to deformation, cracking, or even complete failure of fuel elements. This study focuses on the development of a computational model that accurately predicts the residual stresses generated in the U10Mo fuel during fabrication. It has been observed that cladding creep has a substantial impact on the residual stresses in the U10Mo fuel post the HIP fabrication process. Furthermore, during the HIP bonding process the fuel plate system is heated to a temperature of 560 oC and as a result, the aluminum cladding transitions from (Al 6061-T6 to -O). This presents a challenge in capturing the change in material properties accurately. Therefore, a temperature dependent creep model such as hyperbolic sine creep model is considered to estimate the creep properties of the Aluminum cladding. The proposed calibrated creep model accurately predicts the residual stresses in the U10Mo fuel foil and agrees well with the experiments.

42 ENGINEERING↗