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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Iron isotope evidence of an impact origin for main-group pallasites

Despite decades of work, the origin of pallasite meteorites has remained enigmatic. Long thought to be samples of the core-mantle boundary of differentiated asteroids, more recent studies have suggested a range of mechanisms for pallasite formation. These include olivine-metal mixing during a planetesimal collision and the intrusion of over-pressured core liquids into a planetesimal mantle. Establishing if the olivine and metal that comprise pallasites were once equilibrated at high temperature remains key to discriminating between these hypotheses. We determined the iron isotope compositions of olivine and metal in eleven main-group pallasites and found, in all cases, that olivine is isotopically lighter than metal. To interpret these data, we constrained the olivine-metal equilibrium Fe isotope fractionation with ab initio calculations and high temperature experiments. These independent approaches show that olivine preferentially incorporates the heavy isotopes of iron relative to metal. Our results demonstrate that pallasitic olivine and metal never achieved isotopic equilibrium with respect to iron. This precludes extended cooling at high temperature and is best reconciled with an impact origin for the main-group pallasites.

58 GEOSCIENCES↗
DOE OSTI2022

Fine Gradient Electrode and Micro Porous Layer Structures for Improved Heavy Duty Fuel Cells (Final Report)

The commercial deployment of Heavy Duty Fuel Cells(HDFC) for applications such as large trucks (for example, Class 8 capable of carrying 50,000 lb. loads) depends vitally on achieving high efficiency and durability at reasonable costs. Furthermore, the HDFC must operate under practical conditions such as with fuel and air impurities, multiple stop-start cycles, and under the extremes of climate our planet offers – from hot and cold to dry and wet. These conditions place a premium on the stability and utilization of the materials comprising the membrane electrode assemblies (MEAs) powering the fuel cell. and the current catalysts, MicroPorous Layers, and Electrode structures and additives are insufficient for these needs. In Phase I Pajarito and Advent will develop durable electrocatalysts, MicroPorous Layer and electrode additives, and electrode structures for heavy duty fuel cells designed for zero-emission long-haul trucking. The electrocatalyst products are designed to solve the challenging durability and performance needs of fuel cells designed for long life and high efficiency through a combination of uniquely structured designed catalysts as well as new MicroPorous Layers (MPLs) and electrode structure additives. These improved materials will provide Pajarito both an expanded commercial opportunity in electrocatalysts, as well as new markets for MPL and electrode additives. The resulting public benefits include improved economics of fuel cells, a leading zero-emission technology for mobility, as well as reduced reliance on the critical minerals and metals used in the heavy-duty trucks industry. Possible follow-up Phase II and III projects would add full MEA products based on the Phase I efforts catalysts and additives, with full system validation by leading Fuel Cell Truck developers.

08 HYDROGEN↗
DOE OSTI2025

First Measurement of 87 Rb( α , xn ) Cross Sections at Weak r -process Energies in Supernova ν -driven Ejecta to Investigate Elemental Abundances in Low-metallicity Stars

Observed abundances of Z ∼ 40 elements in metal-poor stars vary from star to star, indicating that the rapid and slow neutron capture processes may not contribute alone to the synthesis of elements beyond iron. The weak r-process was proposed to produce Z ∼ 40 elements in a subset of old stars. Thought to occur in the ν-driven ejecta of a core-collapse supernova, ( α, xn ) reactions would drive the nuclear flow toward heavier masses at T = 2−5 GK. However, current comparisons between modeled and observed yields do not bring satisfactory insights into the stellar environment, mainly due to the uncertainties of the nuclear physics inputs where the dispersion in a given reaction rate often exceeds 1 order of magnitude. Involved rates are calculated with the statistical model where the choice of an α -optical-model potential ( α OMP) leads to such a poor precision. The first experiment on 87 Rb( α, xn ) reactions at weak r -process energies is reported here. Total inclusive cross sections were assessed at E c.m. = 8.1−13 MeV (3.7−7.6 GK) with the active target MUlti-Sampling Ionization Chamber. With an N = 50 seed nucleus, the measured values agree with statistical model estimates using the α OMP Atomki-V2. A reevaluated reaction rate was incorporated into new nucleosynthesis calculations, focusing on ν-driven ejecta conditions known to be sensitive to this specific rate. These conditions were found to fail to reproduce the lighter heavy element abundances in metal-poor stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Electron–Nucleus Hyperfine Coupling Calculated from Restricted Active Space Wavefunctions and an Exact Two-Component Hamiltonian

Exact two-component (X2C) relativistic nuclear hyperfine magnetic field operators were incorporated in X2C ab-initio wavefunction calculations at the multi-reference restricted active space (RAS) level for calculations of nuclear hyperfine magnetic properties. Spin-orbit coupling was treated via RAS state interaction (SO-RASSI). The method was tested by calculations of electron – nucleus hyperfine coupling constants. The approach, implemented in the OpenMolcas program, overcomes a major limitation of a previous SO-RASSI implementation for hyperfine coupling that relied on non-relativistic hyperfine operators [J. Chem. Theor. Comput. 2015, 11, 538–549] and therefore had only limited applicability. Furthermore, results from calculations on systems with light and heavy main group elements, transition metals, lanthanides, and one actinide complex, demonstrate reasonably good agreement with experimental data, where available, as long as the active space can generate sufficient spin polarization.

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

How Population III Supernovae Determined the Properties of the First Galaxies

Abstract Massive Population III stars can die as energetic supernovae that enrich the early Universe with metals and determine the properties of the first galaxies. With masses of about 10 9 M ⊙ atz≳ 10, these galaxies are believed to be the ancestors of the Milky Way. This paper investigates the impact of Population III supernova remnants (SNRs) from both Salpeter-like and top-heavy initial mass functions (IMFs) on the formation of first galaxies with high-resolution radiation-hydrodynamical simulations with theENZOcode. Our findings indicate that SNRs from a top-heavy Population III IMF produce more metals, leading to more efficient gas cooling and earlier Population II star formation in the first galaxies. From a few hundred to a few thousand Population II stars can form in the central regions of these galaxies. These stars have metallicities of 10 −3 –10 −2 ,Z ⊙ , greater than those of extremely metal-poor (EMP) stars. Their mass function follows a power-law distribution with dN ( M * ) / dM * ∝ M * α , whereM * is stellar mass, andα= 2.66–5.83 and is steeper for a top-heavy IMF. We thus find that EMP stars were not typical of most primitive galaxies.

Astronomy & Astrophysics↗
DOE OSTI2022

Bioremediation of heavy oily sludge: a microcosms study

Oily sludge is a residue from the petroleum industry composed of a mixture of sand, water, metals, and high content of hydrocarbons (HCs). The heavy oily sludge used in this study originated from Colombian crude oil with high density and low American Petroleum Institute (API) gravity. The residual waste from heavy oil processing was subject to thermal and centrifugal extraction, resulting in heavy oily sludge with very high density and viscosity. Biodegradation of the total petroleum hydrocarbons (TPH) was tested in microcosms using several bioremediation approaches, including: biostimulation with bulking agents and nutrients, the surfactant Tween 80, and bioaugmentation. Select HC degrading bacteria were isolated based on their ability to grow and produce clear zones on different HCs. Degradation of TPH in the microcosms was monitored gravimetrically and with gas chromatography (GC). The TPH removal in all treatments ranged between 2 and 67%, regardless of the addition of microbial consortiums, amendments, or surfactants within the tested parameters. The results of this study demonstrated that bioremediation of heavy oily sludge presents greater challenges to achieve regulatory requirements. Additional physicochemical treatments analysis to remediate this recalcitrant material may be required to achieve a desirable degradation rate.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Fuel recycling and impurity characteristics in long-pulse H-mode plasmas with full metal and dynamically coated walls on EAST

We report the basic behaviors of fuel recycling and impurity accumulation during >100 s long-pulse H-mode plasma under full metal wall conditions on EAST. Significant fuel recycling and impurity rising, particularly from heavy impurities, have been observed when operating with a bare metal wall or a deteriorate real-time coated wall, which severely limits the duration of H-mode discharges. To address this issue, a novel dynamic wall coating technique combining feedforward and feedback controls has been successfully developed. The feedforward control presets the Li powder injection rate based on prior experimental observations, whereas the feedback control dynamically modulates the Li injection rate in response to real-time Li-II line emission measurements. Using this approach, a 605 s H-mode plasma has been achieved with fuel recycling and impurity level maintained stable. This result extends the previous record of a 403 s long-pulse H-mode plasma Gong et al (2024 Nucl. Fusion 64 112013) by over 200 s. It demonstrates the effectiveness of the dynamic powder injection technique in controlling fuel recycling and impurities accumulation, while prolonging plasma duration. These findings offer valuable insights into potential applications of other low-Z powder, such as boron, in ITER.

fuel recycling↗
DOE OSTI2021

Methods for neutron diffraction studies on hydride superconductors and other metal hydrides

High-pressure neutron diffraction is an extremely useful technique in the quest for making and understanding novel hydride superconductors. Neutron diffraction can be used to directly determine elemental stoichiometries and atomic positions of many light elements such as hydrogen or deuterium, even in the presence of heavy elements such as rare-earth metals. In this work, we report on the current status and ongoing developments on high-pressure neutron diffraction for hydride superconductors and other metal hydrides with a special focus on current advancements at the Spallation Neutrons and Pressure (SNAP) beamline of the Spallation Neutron Source at Oak Ridge National Laboratory. For broader context, an overview of high-pressure neutron diffractometers and pressure cells is included together with insight into critical sample considerations. There, attention is given to the requirements for powdered hydride samples and the need for deuterium rather than hydrogen. Additionally, the advantages of angular access and data representation as possible at SNAP are described. We demonstrate the current capability for high-pressure neutron diffraction on two different samples created via hydrogen gas loading, specifically pure deuterium and nickel-deuteride. The deuterium example highlights the usefulness of adding sample materials that facilitate the formation of a good powder while the nickel-deuteride example demonstrates that atomic deuterium positions and stoichiometry can be directly determined. Both examples highlight the importance of large scattering apertures. These enable investigation of the data resolved by scattering angle that is needed to identify parasitic peaks and background features. Finally, future directions beyond current high-pressure neutron powder diffraction are also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Band structures and Z 2 invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals

Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy elements, such as the transition-metal dichalcogenides (TMDs), relativistic effects must be taken into account in first-principles calculations. We present an all-electron method based on the four-component Dirac Hamiltonian and Gaussian-type orbitals (GTOs) that overcomes complications associated with linear dependencies and ill-conditioned matrices that arise when diffuse functions are included in the basis. Until now, there has been no systematic study of the convergence of GTO basis sets for periodic solids either at the nonrelativistic or the relativistic level. Here, in this study, we provide such a study of relativistic band structures of the 2D TMDs in the hexagonal (2H), tetragonal (1T), and distorted tetragonal (1T') structures, along with a discussion of their SOC-driven properties (Rashba splitting and Z 2 topological invariants). We demonstrate the viability of our approach even when large basis sets with multiple basis functions involving various valence orbitals (denoted triple- and quadruple-ζ) are used in the relativistic regime. Our method does not require the use of pseudopotentials and provides access to all electronic states within the same framework. Our study paves the way for direct studies of material properties, such as the parameters in spin Hamiltonians, that depend heavily on the electron density near atomic nuclei where relativistic and SOC effects are the strongest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Experimental Demonstration of the Thin-Film Liquid-Metal Jet as a Charge Stripper

For high-power heavy ion accelerators, the development of a suitable charge stripper, which can handle intense beams, is essential. This Letter describes the first experimental demonstration of a heavy ion liquid lithium charge stripper. A 10–20 μm thick liquid lithium jet flowing at >50 m/s was formed and confirmed stable when bombarded by various heavy ion beams, while increasing the charge state of the incoming beams to the desired charge state range. Finally, this demonstration proved the existing power limitation with the conventional strippers can be overcome by the liquid-metal stripper, opening completely new possibilities in high-power accelerator development.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Coproduction of Light and Heavy r-process Elements via Fission Deposition

We apply for the first time fission yields determined across the chart of nuclides from the macroscopic-microscopic theory of the Finite Range Liquid Drop Model to simulations of rapid neutron capture (r-process) nucleosynthesis. With the fission rates and yields derived within the same theoretical framework utilized for other relevant nuclear data, our results represent an important step toward self-consistent applications of macroscopic-microscopic models in r-process calculations. The yields from this model are wide for nuclei with extreme neutron excess. We show that these wide distributions of neutron-rich nuclei, and particularly the asymmetric yields for key species that fission at late times in the r process, can contribute significantly to the abundances of the lighter heavy elements, specifically the light precious metals palladium and silver. Since these asymmetric yields correspondingly also deposit into the lanthanide region, we consider the possible evidence for coproduction by comparing our nucleosynthesis results directly with the trends in the elemental ratios of metal-poor stars rich in r-process material. We show that for r-process enhanced stars palladium over europium and silver over europium display mostly flat trends suggestive of coproduction and compare to the lanthanum over europium trend which is often used to justify robustness arguments in the lanthanide region. We find that such robustness arguments may be extendable down to palladium and heavier and demonstrate that fission deposition is a mechanism by which such a universality or robustness can be achieved.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Final CRADA Report: Accelerated Burn-up Accumulation Test of Clean Core Thorium Energy Designated ANEEL Fuel

Clean Core Thorium Energy (CCTE), LLC, located in Oak Brook, Illinois, is committed to the development of alternative nuclear fuels. CCTE is focused on leveraging the inherent benefits of thorium to create a novel nuclear fuel solution for our worlds growing power demand. Unlike some other fuel cycles proposing to use thorium in advanced reactors, CCTE is focused on deploying solid fuel designs (ceramic pellets in metallic cladding) in existing pressurized heavy-water reactors (PHWRs) and Canada deuterium uranium (CANDU) reactors. CCTE’s fuel design, referred to as Advanced Nuclear Energy for Enriched Life (ANEEL), uses mixed thorium-uranium oxide ((Th,U)O2) to enhance reactor operational strategies while producing significantly low attractiveness material in terms of nuclear proliferation. The overall project objective is to investigate the performance of high burnup ANEEL fuel via an irradiation experiment to be performed in the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL). The scope of work for this CRADA was specifically aimed at performing conceptual design and analysis to support development of an irradiation test rig, development of a fuel fabrication process for the experiment pellets, fabrication and qualification of the pellets, and shipment of the pellets to INL so they can be used to construct experiment rodlets.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

The R -process Alliance: Fifth Data Release from the Search for R -process-enhanced Metal-poor Stars in the Galactic Halo with the GTC

Understanding the abundance pattern of metal-poor stars and the production of heavy elements through various nucleosynthesis processes offers crucial insights into the chemical evolution of the Milky Way, revealing primary sites and major sources of rapid neutron-capture process (r-process) material in the Universe. In this fifth data release from the R-Process Alliance (RPA), we present the detailed chemical abundances of 41 faint (down to V = 15.8) and extremely metal-poor (down to [Fe/H] = -3.3) halo stars selected from the RPA. We obtained high-resolution spectra for these objects with the HORuS spectrograph on the Gran Telescopio Canarias. We measure the abundances of light, α, Fe-peak, and neutron-capture elements. We report the discovery of five carbon-enhanced metal-poor, one limited-r, three r-I, and four r-II stars, and six Mg-poor stars. We also identify one star of a possible globular cluster origin at an extremely low metallicity at [Fe/H] = -3.0. This adds to the growing evidence of a lower-limit metallicity floor for globular cluster abundances. We use the abundances of Fe-peak elements and the α-elements to investigate the contributions from different nucleosynthesis channels in the progenitor supernovae. We find the distribution of [Mg/Eu] as a function of [Fe/H] to have different enrichment levels, indicating different possible pathways and sites of their production. We also reveal differences in the trends of the neutron-capture element abundances of Sr, Ba, and Eu of various r-I and r-II stars from the RPA data releases, which provide constraints on their nucleosynthesis sites and subsequent evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Coexisting kagome and heavy fermion flat bands in YbCr 6 Ge 6

Flat bands, electronic states with nearly dispersionless energy-momentum structure, provide fertile ground for unconventional quantum phases. Recent observations of flat bands at the Fermi level in kagome metals open the possibility of unifying topology and correlation-driven heavy-fermion physics. Here we show that topology and heavy-fermion correlations coexist in the layered kagome metal YbCr 6 Ge 6 . At high temperatures, an intrinsic kagome flat band—arising from frustrated hopping on the kagome lattice—dominates the Fermi level. Upon cooling, localized Yb 4f-states hybridize with the topological kagome flat bands, transforming this state into momentum-independent Kondo resonance states across the entire Brillouin zone. Topological analysis of the hybridization gaps reveals filling-tunable weak and strong topological Kondo-insulating regimes, and identifies a topological Dirac–Kondo semimetal. Taken together, these results identify YbCr 6 Ge 6 as a prototype of a topological heavy-fermion system and a platform where geometric frustration, strong correlations, and topology converge, with broad implications for correlated quantum matter.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Enhanced Thermoelectric Properties of Heavy-fermion Compounds $\text{Yb}_x\text{Ce}_y\text{Sm}_z\text{Ir}_2\text{Zn}_{20}$ $(x+y+z=1)$

Herein, thermoelectric materials hold tremendous promise for advances in fundamental science and practical ap- plications, particularly for robust electricity generation in extreme and remote environments. Despite this, for most materials the energy conversion efficiency is limited by the proportionality between the electrical and thermal conductivities and small values of the Seebeck coefficient for metals. It was previously reported that the heavy-fermion compound $\text{YbIr}_2$ $\text{Zn}_{20}$ exhibits large Seebeck coefficient and thermoelectric figure of merit $ZT$ at 35 K. This behavior is primarily associated with strong hybridization between the $f$- and conduction electron states. Here, we seek to improve the thermoelectric properties through chemical substitution on the Yb site using Ce and Sm. By surveying different levels of substitution, we find that the thermoelectric properties vary strongly with the $f$-element ratio. This confirms that electronic hybridization dominates the thermoelectric properties and clarifies directions for optimizing these materials for applications. We also investigate the impact of the disorder on the thermal conductivity, where we find only weak variation with lanthanide content.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Predicted Ferromagnetism in Discovered Co–Bi Binary Phases

Binary solid-state materials offer unique insight into how the interplay of factors such as stoichiometry and bonding interactions affects magnetism and electronic properties. In this work, we considered systems where a transition metal provides the spin moment and a heavy main group element bolsters strong spin–orbit coupling. Within this context, cobalt, a known component of permanent magnets, and bismuth, functionally the heaviest element stable to radioactive decay, form a compelling combination. The Co–Bi system has been previously shown to exhibit superconductivity in a phase recovered from high pressure. We expected the Co−Bi system could also be ferromagnetic, resulting in two sets of compounds within one chemical system, one superconducting and one ferromagnetic. Subsequently, we investigated the Co–Bi system through both experimental and theoretical approaches to discover new candidates for permanent magnets. Ab initio random structure searching calculations identified five new compounds with diverse structural motifs that may form at higher pressures than previously reported. Experimental high-pressure synthesis yielded four compounds: α-CoBi, α-CoBi 2 , β-CoBi, and β-CoBi 2 . Three of these phases, α-CoBi 2 , β-CoBi, and β-CoBi 2 , were consistent with the calculated structures, corresponding to a 60% success rate for our structure search and underscoring the strength of combining computation with experiment. Theory predicts β-CoBi and β-CoBi2 are ferromagnetic, with β-CoBi possessing larger magnetocrystalline anisotropy energy than familiar permanent magnets such as CoPt and Nd–Fe–B. These results suggest the Co–Bi system could be a platform for understanding the factors that underpin magnetism and, to an extent, superconductivity in a chemically simple binary system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Tuning the Co/Fe ratio in BaCo x Fe 0.8– x Zr 0.1 Y 0.1 O 3– δ , a promising triple ionic and electronic conducting oxide, to boost electrolysis and fuel cell performance

The triple conducting oxide BaCo 0.4 Fe 0.4 Zr 0.1 Y0.1O 3–δ (BCFZY4411), which accommodates simultaneous transport of protons, oxygen ions, and p-type electronic carriers, has been intensively investigated in recent years as a high-performance positive electrode material for fuel cell and electrolysis applications. The heavy Co and Fe-based transition metal doping in BCFZY4411 ensures adequate electrical conductivity while the multiple oxidation states of Co and Fe assist the electrocatalytic and redox ability. Despite the considerable role of Co and Fe transition metal doping in controlling electrochemical activity, however, the study of alternative BCFZY compositions with varying Co/Fe ratios has not yet been pursued. Here, we evaluate the electrochemical performance of a series of BaCo x Fe 0.8–x Zr 0.1 Y0.1O 3–δ compositions with varying Co/Fe ratio (x = 0.1, 0.2, 0.4, 0.6, 0.7) and use oxygen ion tracer diffusion and in situ high-temperature X-ray diffraction to investigate the effect of Co/Fe ratio on electrocatalytic activity, electronic conductivity, oxygen ion incorporation and transport kinetics, and thermomechanical behavior. We find that Co-rich BCFZY7111 yields the highest performance due to exceptionally high oxygen vacancy diffusion and shows a lower and more linear thermal expansion behavior compared to Fe-rich compositions. A protonic ceramic button cell incorporating a BCFZY7111 positive electrode yields a peak power density of 695 mW cm –2 under fuel cell mode and an electrolysis current density of 1976 mA cm –2 at 1.4 V at 600 °C, underscoring the promise of this new BCFZY electrode composition.

30 DIRECT ENERGY CONVERSION↗