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DOE OSTI2018

Laser Shock Fresh Fuel Bond Strength Studies

Laser-based characterization of base monolithic U-10Mo fuel is being conducted by the USHPRR Fuel Qualification project to support fabrication development and ensure the fuel maintains mechanical integrity and does not delaminate during normal operating conditions. Characterization involves laser shock experiments, combined with laser-based ultrasonic scanning, to evaluate the bonding integrity and relative strength of interfaces within fuel plates. This report documents fresh fuel studies that were carried out on a series of fuel plates manufactured at Los Alamos National Laboratory in which various, controlled levels of interfacial contamination were intentionally introduced into the fuel plates during fabrication in order to vary the bond strength. Additional scoping studies were conducted on several developmental fuel plates supplied by the USHPRR Fuel Fabrication Pillar in which the Zr diffusion barrier was applied to the U-Mo foils by electroplating and plasma spraying. The electroplating and plasma spraying processes are being evaluated as potential alternatives to the baseline co-rolling fabrication process.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Frontiers of Ionic Liquids in Carbon Dioxide Separation and Valorization

Ionic liquids (ILs) have emerged as highly tunable sorbents and membranes for gas separation, especially in the purification of CO 2 -containing gas streams such as air, natural gas, biogas, and syngas. Their negligible volatility, high thermal stability, and chemical versatility position them as promising alternatives to conventional amine and alkaline metal derivative-based systems, effectively addressing key challenges such as volatility, stability, and high regeneration energy. Here, this Review explores IL-derived systems for CO 2 -related gas separation across dense, porous, and supported categories. At the dense liquid level, we discuss strategies for tailoring IL properties to optimize CO 2 sorption, focusing on the correlation between IL-CO 2 interaction strength, uptake capacity, and regeneration energy. Key advancements in carbon capture, including amino-functionalized (AILs) and superbase-derived ILs (SILs), are highlighted, along with strategies such as chemical structure engineering, multiple binding site integration, alternative driving force exploration, and stability enhancement. Then, the porous liquids (PLs) scale focuses on the emerging field integrating IL properties with permanent porosity engineering, spanning ultramicropores (<5 Å) to macropores (around 100 nm). These innovations improve gas uptake capacity, accelerate transport kinetics, introduce the gating effect, and enable the coexistence of active sites with antagonistic properties within a single IL medium. At the supported IL scale, the discussion shifts to IL- and ionic pair-modified sorbents and membranes, emphasizing the modulation of cations and anions, confinement effects from porous supports, and the IL–interface interaction to enhance CO 2 separation performance, particularly in diluted gas streams. Beyond separation, this Review highlights IL-based integrated processes for CO 2 capture and conversion into value-added chemicals via thermocatalytic, electrocatalytic, and photocatalytic pathways. At each scale, advanced computational and experimental tools for IL design are also discussed, providing insights into stability enhancement, sorption efficiency, and process integration. The Review concludes by addressing existing challenges and outlining future directions for IL-driven innovations in gas separation technologies.

Qiu, Liqi [Univ. of Tennessee, Knoxville, TN (Unit↗

NASA NTRS2017

Metastable Phase Relations in the System Ca(sub O)-Al2(sub O)3-MgO-TiO(sub 2): Applications to Ca- And Al-Rich Inclusions

Introduction: High temperature phases such as corundum, hibonite, grossite, and perovskite are among the earliest phases that condensed in the early solar nebula. Recent work has shown that defect-structured phases occur in some ultrarefractory inclusions as metastable, possibly more kinetically-favored alternatives to the thermodynamically predicted stable phase assemblages [1-4]. For example, Han et al. have shown that non-stoichiometry in hibonite is accommodated by extra "spinel" blocks in the structure instead of the equilibrium assemblages hibonite+corundum or hibonite+spinel. To explore these relations, we have conducted a series of experiments in the system CaO-Al2O3- MgO-TiO2. Here we discuss the compositions and mineralogy of the experimental samples and how they relate to phases in refractory inclusions with a focus on perovskite and spinel. Methods: For the series of annealing studies, a CaO-Al2O3 eutectic melt is allowed to react with a pure alumina crucible at 1,530degC for either 4 hours or 5 days, followed by quenching in air. Later experiments were similar except that additions of 5 wt% MgO, and CaTiO(sub 3) were used to explore the effect of minor elements on the phase assemblages. The experimental conditions resulted in reaction zones approximately 100-300 m wide consisting of a hibonite layer immediately adjacent to the corundum, followed by a grossite layer, and finally krotite with residual quenched melt. For the experiments with Mg, spinel is distributed in all layers but is mainly concentrated in the krotite layer. In the Ti-bearing experiments, perovskite precipitated in association with the krotite and residual melt. In addition to the experiments, we also analyzed perovskite grains in the FUN inclusion SHAL [5] and a large compact type A CAI from Allende. The experiments and refractory inclusions were analyzed using a JEOL 7600F SEM and quantitative analyses were obtained using the JEOL 8530F field-emission electron microprobe.

Keller, L. P.↗

DOE OSTI2017

Nonlinear Color–Metallicity Relations of Globular Clusters. VII. Nonlinear Absorption-line Index versus Metallicity Relations and Bimodal Index Distributions of NGC 5128 Globular Clusters

Spectroscopy on the globular cluster (GC) system of NGC 5128 revealed bimodality in absorption-line index distributions of its old GCs. GC division is a widely observed and studied phenomenon whose interpretation has depicted host galaxy formation and evolution such that it harbors two distinct metallicity groups. Such a conventional view of GC bimodality has mainly been based on photometry. The recent GC photometric data, however, presented an alternative perspective in which the nonlinear metallicity-to-color transformation is responsible for color bimodality of GC systems. Here we apply the same line of analysis to the spectral indices and examine the absorption-line index versus metallicity relations for the NGC 5128 GC system. NGC 5128 GCs display nonlinearity in the metallicity-index planes, most prominently for the Balmer lines and by a non-negligible degree for the metallicity-sensitive magnesium line. We demonstrate that the observed spectroscopic division of NGC 5128 GCs can be caused by the nonlinear nature of the metallicity-to-index conversions and thus one does not need to resort to two separate GC subgroups. Our analysis incorporating this nonlinearity provides a new perspective on the structure of NGC 5128's GC system, and a further piece to the global picture of the formation of GC systems and their host galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2019

HERMeS Thruster Magnetic Field Topology Optimization Study: Performance, Stability, and Wear Results

NASA's Hall Effect Rocket with Magnetic Shielding (HERMeS) 12.5kW Technology Demonstration Unit-1 (TDU-1) has been the subject of extensive technology maturation in preparation for flight system development. The TDU-1 thruster implements a magnetically shielded field topology and has demonstrated the elimination of the discharge channel erosion as a life limiting mechanism. Extensive wear testing the TDU Hall thrusters has identified the thruster front pole covers as the next life limiting component. This effort aims to explore and investigate alternate magnetic field topologies to assess whether reductions in the front pole cover erosion can be attained while still maintaining very low erosion rates on the discharge channel walls. Four candidate magnetic field topologies that reduce the effectiveness of the shielding along the discharge channel walls with the intent to also reduce the erosion rates along the front pole covers were designed. Three of the four candidate magnetic field topologies (B1, B2, and B4) have been manufactured and were subjected to an extensive test campaign that includes laser induced fluorescence (LIF), performance, stability, wear, plume, and thermal characterization. In Phase I, LIF measurements along the discharge chamber centerline found that upstream retraction of the thruster's peak magnetic field does result in an upstream shift of the acceleration zone but the magnitude of the shift does not correspond one-to-one to the shift in the location of the peak radial magnetic field magnitude. Phase II test segment results found at a normalized thruster magnetic field setting of 1, the thruster performance was very similar for all configurations. Discharge current waveforms ripple data indicated that configurations Bo, B1, and B2 has similar oscillatory profiles with the B2 configuration transitioning to higher oscillatory mode at 400V instead of the 450V observed for configurations B0 and B1. Configuration B4 ripple data indicates that the thruster was operating in a very oscillatory mode above 350V. Inner front pole cover erosion rates for configuration B1 were approximately 65% relative to B0 and the erosion rates for configuration B2 were 40% relative to B0. Analysis of the performance, stability, and wear test results of configurations B0, B1, B2, and B4 indicates that configuration B2 may present an alternative option for B0 because it mostly maintained the same performance and stability as configuration B0 but with 40% of the inner front pole cover erosion rate.

Kamhawi, Hani↗

NASA NTRS2011

Sm-Nd Isotopic Studies of Ureilite Novo Urei

Ureilites are ultramafic (harzburgitic) achondrites composed predominantly of olivine and pyroxenes, abundant carbon (graphites and shock-produced diamonds), some metal and sulfides. These rocks probably represent ultramafic mantles of differentiated parent asteroidal bodies. Age determinations of these rocks by Rb-Sr and Sm-Nd methods have been difficult because of their extremely low abundances of these parent-daughter elements. Nevertheless, Sm-Nd isochron ages were reported for Kenna, Goalpara, MET 78008 and PCA 82506 yielding ages of 3.74+/-0.02 Ga, approx.3.7 Ga, 4.09+/-0.08 Ga, 4.23+/-0.06 Ga, respectively [1-4]. These "young" Sm-Nd ages may represent secondary metasomatism events [1] related to impacts [5], as indicated by the similarly young Ar-39-Ar-40 degassing ages of 3.3-4.1 Ga for ureilites Kenna, Novo Urei and Havero [6]. Alternatively, it has been suggested that these rocks may have been contaminated with terrestrial crustal materials and the isochrons do not have any age significance [2,7]. Indications of old approx.4.56 Ga ages for ureilites were reported from the U-Pb and Sm-Nd model ages for MET 78008 [8]. More reliable evidences for old formation ages of ureilites were reported recently using the short-lived chronometers Hf-182-W-182, Al-26-Mg-26 and Mn-53-Cr-53. The deficits of 182W in ureilites suggest the metal-silicate segregation occurred very early, approx.1-2 Ma after CAI [9]. The Al-26-Mg-26 and Mn-53-Cr-53 studies for a feldspathic lithology [10] and the Mn-53-Cr-53 for olivine- and pyroxene-dominant lithologies [11] in ureilites revealed that they crystallized approx.5.4 Ma after CAI, i.e., at 4563.8+/-0.5 Ma relative to D.Orbigny. In this report, we present Sm-Nd isotopic data for a relatively fresh ureilite, Novo Urei, a rare ureilite fall (1886). We compare these data to Sm-Nd data for other ureilites, and discuss Novo Urei's petrogenesis

Shih, C.-Y.↗

NASA NTRS1999

NASA Issues Related to use of Halon: Past, Present, Future

NASA began an official halon phaseout program in 1990. NASA has led the way in halon bank management and has participated in the search for halon alternatives. NASA representatives participate in technical committees of the National Fire Protection Association and United Nations Environment Program providing guidance on Halon Phaseout and acceptance, design, installation, and maintenance of Halon Alternatives. This paper addresses some of the key issues that are leading the agency away from dependence on halons for fire protection.

Collins, Michelle M.↗

DOE OSTI2023

Variable renewable energy deployment in low-emission scenarios: The role of technology cost and value

While rapid deployment of variable renewable energy (VRE) technologies, namely wind and solar PV, is often projected in 2C pathways generated by integrated assessment models, there is a wide range in projected VRE deployment by mid-century. Such differences could be the result of differences in assumptions about future technology costs and/or differences in model approaches for capturing other aspects of technology competitiveness. Here we introduce a consistent competitiveness metric, profitability-adjusted levelized cost of electricity (or PLCOE), to an integrated assessment model (EPPA) to evaluate the representation of technology competition, including VRE, in low-emission scenarios. We show that representing the value of technology (alongside cost) may significantly impact VRE deployment relative to scenarios without such an adjustment. In addition, we show that varying VRE costs by about 35% in 2050 results in differences in VRE deployment that span much of the range in outcomes (over the same period) observed in likely 2C scenarios assessed by the IPCC, suggesting that both cost and value are key drivers of VRE deployment in such scenarios. Given the central role that VRE technologies play in the electricity mix across most scenarios, we also find that alternative cost assumptions for VRE technologies can lead to changes in electricity prices, the associated demand for electricity, and total final and primary energy consumption. However, the demand for fuels other than electricity is relatively insensitive to VRE assumptions in the 2C scenarios considered here.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2016

Thin film initiation of cracks for fracture toughness measurements in epoxy resins

ABSTRACT The first step in accurately measuring the fracture toughness of a polymeric material is to generate a sharp crack in the sample. Often this is accomplished by tapping a razor blade into the sample, allowing a natural crack to grow; however, it can be difficult to control the crack propagation. Alternate methods for initial crack generation are investigated, including scoring the sample with a razor blade and inserting thin films or foils into the samples during cure. Fluoropolymer films and aluminum and stainless steel foils of various thicknesses are examined in a number of epoxy‐amine resins with a range of toughness and glass transition values. None of the alternative methods replicate the results of starting with a natural crack. Furthermore, it is difficult to form satisfactory test samples using fluoropolymer films. For relative toughness comparisons, either the scoring method or thin, ≤25.4 μm, foils can be used to initiate cracks with similar results. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133 , 44364.

McAninch, Ian M.↗

DOE OSTI2020

Finding wombling boundaries in LHC data with Voronoi and Delaunay tessellations

We address the problem of finding a wombling boundary in point data generated by a general Poisson point process, a specific example of which is an LHC event sample distributed in the phase space of a final state signature, with the wombling boundary created by some new physics. We discuss the use of Voronoi and Delaunay tessellations of the point data for estimating the local gradients and investigate methods for sharpening the boundaries by reducing the statistical noise. The outcome from traditional wombling algorithms is a set of boundary cell candidates with relatively large gradients, whose spatial properties must then be scrutinized in order to construct the boundary and evaluate its significance. Here we propose an alternative approach where we simultaneously form and evaluate the significance of all possible boundaries in terms of the total gradient flux. We illustrate our method with several toy examples of both straight and curved boundaries with varying amounts of signal present in the data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Dispatch optimization of concentrating solar power with utility-scale photovoltaics

Concentrating solar power (CSP) tower technologies capture thermal radiation from the sun utilizing a field of solar-tracking heliostats. When paired with inexpensive thermal energy storage (TES), CSP technologies can dispatch electricity during peak-market-priced hours, day or night. The cost of utility-scale photovoltaic (PV) systems has dropped significantly in the last decade, resulting in inexpensive energy production during daylight hours. The hybridization of PV and CSP with TES systems has the potential to provide continuous and stable energy production at a lower cost than a PV or CSP system alone. Hybrid systems are gaining popularity in international markets as a means to increase renewable energy portfolios across the world. Typically, CSP-PV hybrid systems have been evaluated using either monthly averages of hourly PV production or scheduling algorithms that neglect the time-of-production value of electricity in the market. To more accurately evaluate a CSP-PV-battery hybrid design, we develop a profit-maximizing mixed-integer linear program ($\mathcal{H}$) that determines a dispatch schedule for the individual sub-systems with a sub-hourly time fidelity. We introduce the mathematical formulation of such a model and show that it is computationally expensive to solve. To improve model tractability and reduce solution times, we offer techniques that: (1) reduce the problem size, (2) tighten the linear programming relaxation of ($\mathcal{H}$) via reformulation and the introduction of cuts, and (3) implement an optimization-based heuristic (that can yield initial feasible solutions for (($\mathcal{H}$) and, at any rate, yields near-optimal solutions). Applying these solution techniques results in a 79% improvement in solve time, on average, for our 48-h instances of (($\mathcal{H}$); corresponding solution times for an annual model run decrease by as much as 93%, where such a run consists of solving 365 instances of (($\mathcal{H}$), retaining only the first 24 h' worth of the solution, and sliding the time window forward 24 h. We present annual system metrics for two locations and two markets that inform design practices for hybrid systems and lay the groundwork for a more exhaustive policy analysis. A comparison of alternative hybrid systems to the CSP-only system reflects that hybrid models can almost double capacity factors while resulting in a 30% improvement related to various economic metrics.

14 SOLAR ENERGY↗

DOE OSTI2020

A mini review of cobalt-based nanocatalyst in Fischer-Tropsch synthesis

Fischer-Tropsch (F-T) synthesis, converting syngas to hydrocarbons, provides a green alternative for fuel production. Cobalt is one of the most intensively studied F-T catalysts due to its great activity, high stability, and relatively low cost. Overall, in this mini review, we summarized some recent advancements in the development of cobalt-based F-T catalysts focusing on the effects of particle size, surface oxidation states, crystallography, and bimetallic particles, with emphasis on the research from our group. Furthermore, non-steady state conditions were investigated to access the initial kinetics using chemical transient kinetics (CTK) experiments, which could bring more insights into the reaction mechanism and catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Mechanical properties and microstructure of 316L stainless steel produced by hybrid manufacturing

Hybrid manufacturing is a combination of additive (deposition) and subtractive (machining) manufacturing in a single machine tool. Such a system can be used for near net shape manufacturing and component repair using either similar or dissimilar materials. Integrated into a single system, transition between additive and subtractive manufacturing can occur immediately and be leveraged to generate large components by alternating between the processes. In this investigation, we show how the interleaved capabilities can reduce overall cycle time by up to 68 %, improve average relative elongation to failure by 71 %, and reduce the average relative porosity fraction by 83 % when compared to traditional additive manufactured components. Results from this investigation builds the foundation needed for hybrid manufacturing to be applicable towards the manufacture of large complex components such as nosecones and marine propulsors.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Aluminum X-ray mass-ablation rate measurements

Measurements of the mass ablation rate of aluminum (Al) have been completed at the Omega Laser Facility. These measurements show that the mass-ablation rate of Al is higher than plastic (CH), comparable to high density carbon (HDC), and lower than beryllium. The mass-ablation rate is consistent with predictions using a 1D Lagrangian code, Helios. The results suggest Al capsules have a reasonable ablation pressure even with a higher albedo than beryllium or carbon ablators and further investigation into the viability of Al capsules for ignition should be pursued.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Anomalous neutron nuclear-magnetic interference spectroscopy

The electron–phonon interaction plays a critical role in materials’ electrical, thermal, optical, and superconducting properties. However, measuring the phonon mode-resolved electron–phonon interaction has been challenging. Here we propose neutron-scattering-based Anomalous Neutron nUclear-Magnetic Interference Spectroscopy (ANUBIS), where the co-existence of neutron nuclear scattering and magnetic scattering leads to anomalous dynamical structure factor under the presence of the electron–phonon interaction. Such anomalous structure factor is linear in electron–phonon coupling constant at the phonon wavevector, and is directly proportional to the momentum and energy-resolved dielectric function. The experimental configuration can be achieved using existing polarized inelastic neutron scattering setup, and an order-of-magnitude estimate shows the viability to observe the anomalous scattering signal is around to 10 –4 to 10 –3 relative to phonon scattering, which is examined through the preliminary experiments and achievable at emerging neutron facilities. As a result, our proposal offers an alternative neutron-based metrology to probe the crucial electronic properties.

Electron-phonon interactions↗

DOE OSTI2019

Strategies to minimize the influence of instrumental bias in neutron scattering

The influence of instrumental bias on neutron scattering measurements that involve a change between two experimental states is studied analytically and computationally. Different sources of bias were applied to an unperturbed (perfect) data stream. The influence of bias on the measurement was quantified and means to mitigate it is demonstrated. We find frequent changes of state are better than fewer, and evenly alternating between changes of state is often unwise.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Metal–Organic Frameworks as Catalysts for (De)Hydrogenation: Progress, Challenges, and Perspectives

Storing hydrogen through chemical bonding in liquid-organic hydrogen carriers (LOHCs) offers a safer and more practical approach for hydrogen transportation compared to physical liquefaction, which is limited by low volumetric efficiency and gas release. The efficiency of LOHC systems is highly dependent on effective catalysts, which are typically composed of transition metals supported on metal oxides. However, these materials often rely upon costly noble metals, and their nonuniform nature limits mechanistic insights and structure–function relationships that could improve catalyst design. Metal–organic frameworks (MOFs) are promising alternatives to existing catalysts due to their crystalline, tunable, and porous nature. However, their use as catalysts for (de)hydrogenation reactions remains largely underexplored. Related to this, we identify two general classes of MOFs reported as catalysts for (de)hydrogenation reactions: MOFs as scaffolds for catalytically active species and MOFs that function as reactive materials themselves. MOF composites anchor reactive nanoparticles or homogeneous species, imparting reactivity to the framework. The confinement effects experienced by the affixed species, combined with favorable substrate adsorption interactions or acid sites provided by the MOF, enhance the stability, selectivity, and activity of these catalysts for (de)hydrogenation reactions. Additionally, catalytically active MOFs often feature open metal sites at the node or undergo postsynthetic modification at either node or linker to impart reactivity. Here, taking inspiration from these materials, we outline the current state and key challenges of utilizing MOFs as (de)hydrogenation catalysts and propose research pathways to advance materials in this field for energy applications.

Catalysts↗

DOE OSTI2024

Chemical Design of Spin Frustration to Realize Topological Spin Glasses

Patterning spins to generate collective behavior is at the core of condensed matter physics. Physicists develop techniques, including the fabrication of magnetic nanostructures and precision layering of materials specifically to engender frustrated lattices. As chemists, we can access such exotic materials through targeted chemical synthesis and create new lattice types by chemical design. Here, in this study, we introduce a new approach to induce magnetic frustration on a modified honeycomb lattice through a competition of alternating antiferromagnetic (AFM) and ferromagnetic (FM) nearest-neighbor interactions. By subtly modulating these two types of interactions through facile synthetic modifications, we created two systems: (1) a topological spin glass and (2) a frustrated spin-canted magnet with low-temperature exchange bias. To design this unconventional magnetic lattice, we used a metal–organic framework (MOF) platform, Ni 3 (pymca) 3 X 3 (NipymcaX where pymca = pyrimidine-2-carboxylato and X = Cl, Br). We isolated two MOFs, NipymcaCl and NipymcaBr, featuring canted Ni 2+ -based moments. Despite this similarity, differences in the single-ion anisotropies of the Ni 2+ spins result in distinct magnetic properties for each material. NipymcaCl is a topological spin glass, while NipymcaBr is a rare frustrated magnet with low-temperature exchange bias. Density functional theory calculations and Monte Carlo simulations on the NipymcaX lattice support the presence of magnetic frustration as a result of alternating AFM and FM interactions. Our calculations enabled us to determine the ground-state spin configuration and the distribution of spin–spin correlations relative to paradigmatic kagomé and triangular lattices. This modified honeycomb lattice is similar to the electronic Kekulé-O phase in graphene and provides a highly tunable platform to realize unconventional spin physics.

Exchange bias↗