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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Hierarchical microstructures: a potential route to enhanced stability in structural materials for advanced nuclear reactors

The drive to increase efficiency in nuclear energy systems is leading to the need for materials that operate at higher temperatures and stress levels for extended periods, while maintaining stable microstructures to ensure their performance is not compromised. A novel route to producing materials that can perform well in such environments is the creation of hierarchical microstructures. A hierarchical microstructure is a microstructure in which features are present at multiple length scales simultaneously. In this work, a hierarchical microstructure is fabricated in a nickel-base superalloy, featuring nanometer-size gamma precipitates inside larger gamma-prime particles, which are in turn embedded in the gamma matrix phase. The hierarchical features of the microstructure lead to enhanced stability of the gamma-prime precipitates during annealing; the particle size does not follow the expected t^(1/3) growth law predicted by the classic LSW theory. Phase-field simulations are used to understand the unexpected stability of the gamma-prime precipitates.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Engineering collinear magnetization in hexagonal LuFeO 3 and magnetoelectric control of skyrmions in hexagonal 2D epilayers

Cubic, perovskite-structure ABO 3- and A 1–x A’ x BO 3 -type oxides have been investigated extensively while their hexagonal structure versions have not, even though they are multiferroic and can form heterostructures with hexagonal 2D materials. In particular, multiferroic 2D epilayers may lead to strong magnetoelectric coupling. Hexagonal RFeO 3 ferrites, where R is a rare-earth element (Lu, Yb, etc.), are excellent candidates, but their ferromagnetism isweak. In this paper, we employ density-functional-theory (DFT) calculations and first show that heavy electron doping of hexagonal LuFeO 3 (h-LFO), namely Lu 1–x Hf x FeO 3 (h-LHFO), leads to spin-disproportionation of the Fe sublattices and, especially for x = 1/2 and 2/3, to robust, room-temperature, out-of-plane, collinear ferrimagnetism that is stabilized by a Jahn-Teller metal-to-insulator transition. We then show that h-LHFO/h-2D heterostructures, where h-2D is the FE/ FM monolayer MnSTe, stabilize skyrmions without an external magnetic field and control their chirality by an external electric field through the h-LHFO polarization, opening up a new realm for magnetoelectric applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Accelerated Short Circuiting in Anode-Free Solid-State Batteries Driven by Local Lithium Depletion

“Anode-free” solid-state batteries (SSBs), which have no anode active material, can exhibit extremely high energy density (≈1500 Wh L -1 ). However, there is a lack of understanding of the lithium plating/stripping mechanisms at initially lithium-free solid-state electrolyte (SSE) interfaces because excess lithium metal is often used. Here, it is demonstrated that commercially relevant quantities of lithium (>5 mAh cm -2 ) can be reliably plated at moderate current densities (1 mA cm -2 ) using the sulfide SSE Li 6 PS 5 Cl. Investigations of lithium plating/stripping mechanisms, in conjunction with cryo-ocused ion beam (FIB) imaging, synchrotron tomography, and phase-field modeling, reveal that the cycling stability of these cells is fundamentally limited by the nonuniform presence of lithium during stripping. Local lithium depletion causes isolated lithium regions toward the end of stripping, decreasing electrochemically active area and resulting in high local current densities and void formation. This accelerates subsequent filament growth and short circuiting compared to lithium-excess cells. Despite this degradation mode, here it is shown that anode-free cells exhibit comparable Coulombic efficiency to lithium-excess cells, and improved resistance to short circuiting is achieved by avoiding local lithium depletion through retention of thicker lithium at the interface. These new insights provide a foundation for engineering future high-energy anode-free SSBs.

25 ENERGY STORAGE↗
DOE OSTI2026

Solid state 59 Co NMR study of a Np(VII) compound

Np(VII) compounds with [Co(NH 3 ) 6 ] 3+ cations were synthesized and structurally examined using powder X-ray diffraction. Multiple phases were observed, consisting of octahedral [Co(NH 3 ) 6 ] 3+ cations, discrete tetragonal bipyramidal [NpO 4 (OH) 2 ] 3− anions, and waters of hydration. Electric field gradient tensors at Co sites were measured by solid state 59 Co nuclear magnetic resonance (NMR) spectroscopy and compared with theoretical calculations. The relative contributions of the chemical shift and electric field tensors to the NMR lineshape were determined by recording spectra at field strengths of 7.04 and 11.74 Tesla. Further, the evolution of structure and morphology as a function of sample age and the effects on NMR spectral parameters has also been investigated. These results demonstrate the use of NMR at multiple fields to expand understanding of the stability and electronic structure of high valent neptunium compounds.

heptavalent neptunium↗
DOE OSTI2021

Competing magnetic interactions and emergent phase diagrams in double perovskite Y 2 Ni x Co 1–x MnO 6

We present a comparative study of double perovskites Y 2 Ni x Co 1–x MnO 6 for x = 1, 0.5, and 0. The polycrystalline samples of Y 2 Ni x Co 1–x MnO 6 with space group P2 1 /n were synthesized via sol-gel technique. X-ray photoelectron spectroscopy (XPS) confirms the presence of majority Ni 2+ /Mn 4+ in Y 2 NiMnO 6 (YNMO) and a mixed valence state Ni 2+/3+ /Co 2+/3+ /Mn 4+/3+ in co-doped Y 2 Ni 0.5 Co 0.5 MnO 6 (YNCMO). The temperature dependent magnetization results suggest homogeneous substitution of Ni ions with Co ions with minimal contribution of 3+ cationic magnetic interactions in YNCMO. The superexchange ferromagnetic (FM) interaction has a major contribution to the magnetism of YNMO. The strength of antiferromagnetic (AFM) coupling resulting from the antiphase boundaries in Y 2 Ni x Co 1–x MnO 6 increases with the increase in the Co concentration. The AC susceptibility (AC-χ) study further validates the presence of higher density of antiphase boundaries, which is reflected by the dynamics of domain walls in YNCMO. The isothermal magnetic entropy change (ΔS M ) as functions of temperature and magnetic field is exploited to assess the stabilization of different magnetic phases. Finally, the findings of ΔS M (T,µ 0 H) lead to the proposed new magnetic phase diagrams for Y 2 Ni x Co 1–x MnO 6 for x = 1 and 0.5, in comparison with the previously established phase diagram of Y 2 CoMnO 6 .

36 MATERIALS SCIENCE↗
DOE OSTI2025

The fixed probe storage ring magnetometer for the Muon g-2 experiment at Fermi National Accelerator Laboratory

The goal of the FNAL E989 experiment is to measure the muon magnetic anomaly to unprecedented accuracy and precision at the Fermi National Accelerator Laboratory. To meet this goal, the time and space averaged magnetic environment in the muon storage volume must be known to better than 70 ppb. A new pulsed proton nuclear magnetic resonance (NMR) magnetometer was designed and built at the University of Washington, Seattle to track the temporal stability of the 1.45 T magnetic field in the muon storage ring at this precision. It consists of an array of 378 petroleum jelly based NMR probes that are embedded in the walls of muon storage ring vacuum chambers and custom electronics built with readily available modular radio frequency (RF) components. We give NMR probe construction details and describe the functions of the custom electronic subsystems. The excellent performance metrics of the magnetometer are discussed, where after 8 years of operation the median single shot resolution of the array of probes remains at 650 ppb.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Machine learning prediction of glass transition temperature of conjugated polymers from chemical structure

Predicting the glass transition temperature (T g ) is of critical importance as it governs the thermomechanical performance of conjugated polymers (CPs). Here, we report a predictive modeling framework to predict T g of CPs through the integration of machine learning (ML), molecular dynamics (MD) simulations, and experiments. With 154 T g data collected, an ML model is developed by taking simplified “geometry” of six chemical building blocks as molecular features, where side-chain fraction, isolated rings, fused rings, and bridged rings features are identified as the dominant ones for T g . MD simulations further unravel the fundamental roles of those chemical building blocks in dynamical heterogeneity and local mobility of CPs at a molecular level. The developed ML model is demonstrated for its capability of predicting T g of several new high-performance solar cell materials to a good approximation. The established predictive framework facilitates the design and prediction of T g of complex CPs, paving the way for addressing device stability issues that have hampered the field from developing stable organic electronics.

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

Squeezing the periodicity of Néel-type magnetic modulations by enhanced Dzyaloshinskii-Moriya interaction of 4d electrons

In polar magnets, such as GaV 4 S 8 , GaV 4 Se 8 and VOSe 2 O 5 , modulated magnetic phases namely the cycloidal and the Néel-type skyrmion lattice states were identified over extended temperature ranges, even down to zero Kelvin. Our combined small-angle neutron scattering and magnetization study shows the robustness of the Néel-type magnetic modulations also against magnetic fields up to 2 T in the polar GaMo 4 S 8 . In addition to the large upper critical field, enhanced spin-orbit coupling stabilize cycloidal, Néel skyrmion lattice phases with sub-10 nm periodicity and a peculiar distribution of the magnetic modulation vectors. Moreover, we detected an additional single-q state not observed in any other polar magnets. Thus, our work demonstrates that non-centrosymmetric magnets with 4d and 5d electron systems may give rise to various highly compressed modulated states.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nickel(ii)-methyl complexes adopting unusual seesaw geometries

Here, we report four-coordinate nickel(II)-methyl complexes of tris-carbene borate ligands which adopt rare seesaw geometries. Experimental and computational results suggest the structural distortion from threefold symmetry results from a combination of electronic stabilization of the singlet state, strong field donors, and constrained angles from the chelating ligand.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A comprehensive conductivity model for drift and micro-tearing modes

The parallel electrical conductivity is a crucial parameter in the study of the linear stability of drift-modes like the micro-tearing mode (MTM). The conductivity enters by closing the electromagnetic tearing layer equations. Recent progress in the understanding of the pedestal suggests that the MTM could play an important role in its structure and evolution. For this reason, we revisit and improve previous model conductivities. This parameter is generally derived from the linearized drift kinetic equation. In the past literature, it has been computed using either simplified collision operators or neglecting the spatial dependence away from the rational surface. Here, a fully consistent expression for the conductivity that would accurately model the pedestal has not been available. By applying a novel variational procedure and with the full Fokker Plank collision operator, including electron–electron collisions, we compute a closed expression for the parallel electrical conductivity in the form of a rational function.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Nonlinear coupling of tearing modes in reversed field pinch plasmas with stepped pressure profiles

A theory of the three-wave coupling of triplets of tearing modes in toroidal pinches [i.e., either reversed field pinches (RFPs) or tokamaks] was proposed by R. Fitzpatrick [Phys. Plasmas 6, 1168 (1999)]. However, this theory only applies to toroidal pinches with negligible equilibrium plasma pressure gradients. Such a limitation is particularly inappropriate to RFPs. This paper generalizes the analysis of R. Fitzpatrick [Phys. Plasmas 6, 1168 (1999)] in order to take the equilibrium pressure gradient into account. However, for the sake of simplicity, a stepped pressure profile, rather than a continuous profile, is employed. In the limit in which the number of steps becomes very large, the results obtained from the generalized theory are presumably equivalent to those that would have been achieved using a continuous pressure profile. The generalized theory is used to investigate the formation of the characteristic toroidally localized pattern of phase-locked m = 1 and m = 0 tearing modes in RFP plasmas that is known as the “slinky” pattern. The incorporation of the equilibrium plasma pressure into the analysis is found to be of crucial importance when determining the properties of the pattern. This is the case because the plasma pressure controls the number of unstable m = 1 and m = 0 tearing modes, and also significantly affects the strength of three-wave coupling, as well as the phase relation between the phase-locked m = 1 and m = 0 modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Duality defect in a deformed transverse-field Ising model

Physical quantities with long lifetimes have both theoretical significance in the study of quantum many-body systems and practical implications for quantum technologies. In this manuscript, we investigate the roles played by topological defects in the construction of quasiconserved quantities, using as a prototypical example the Kramers-Wannier duality defect in a deformed one-dimensional quantum transverse-field Ising model. We construct the duality defect Hamiltonian in three different ways: half-chain Kramers-Wannier transformation, utilization of techniques in the Ising fusion category, and defect-modified weak integrability breaking deformation. The third method is also applicable for the study of generic integrable defects under weak integrability breaking deformations. We also work out the deformation of defect-modified higher charges in the model and study their slower decay behavior. Furthermore, we consider the corresponding duality defect twisted deformed Floquet transverse-field Ising model and investigate the stability of the isolated zero mode associated with the duality defect in the integrable Floquet Ising model, under such weak integrability breaking deformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Vacuum-ultraviolet light source for enhanced production of metastable krypton and xenon beams

Here, we demonstrate excitation of metastable krypton and xenon beams using a vacuum ultraviolet lamp and directly compare the performance of this method to metastable excitation based on a radio-frequency-driven plasma discharge. In our apparatus, lamp-based metastable excitation outperforms the plasma discharge across a wide range of beam flux values relevant for atom trap trace analysis (ATTA). Moreover, we do not observe significant degradation in lamp performance after over 160 h of operation. We find that lamp-based excitation is particularly advantageous at the smallest and largest beam fluxes tested, demonstrating the utility of this approach both for improving krypton ATTA and for enabling the detection of radioactive xenon isotopes using ATTA. Finally, we demonstrate an additional enhancement to lamp-based metastable excitation efficiency and stability by applying an external magnetic field.

Metastable noble gases↗
DOE OSTI2024

Mass generation in an Abelian gauge theory with multiple scalar fields and no tree-level dimensionful couplings

We study the Abelian Higgs model with multiple scalar fields, but without mass terms. Solving the model nonperturbatively order-by-order in the number of scalar fields, we find that radiative corrections generate masses for the scalar and gauge boson, without spontaneous symmetry breaking. The mass scales are set by the Λ -parameter of the electroweak running coupling, thereby naturally avoiding the hierarchy problem. No part of our calculation employs a weak-coupling expansion, and we find that the perturbative vacuum is metastable, and hence must decay to the stable nonperturbative vacuum of the theory, which we identify. Although the field content of our Lagrangian is standard, our results predict the existence of two heavy scalar resonances in addition to the Higgs. We believe that these predicted resonances will ultimately allow experimentalists to discriminate between our method and standard solutions of the Higgs model. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Positive Energy Functional for Massless Scalars in Rotating Black Hole Backgrounds of Maximal Ungauged Supergravity

Here, we outline a proof of the stability of a massless neutral scalar field ψ in the background of a wide class of four dimensional asymptotically flat rotating and “electrically charged” solutions of supergravity, and the low energy limit of string theory, known as STU metrics. Despite their complexity, we find it possible to circumvent the difficulties presented by the existence of ergo regions and the related phenomenon of superradiance in the original metrics by following a strategy due to Whiting, and passing to an auxiliary metric admitting an everywhere lightlike Killing field and constructing a scalar field ψ (related to a possible unstable mode ψ by a nonlocal transformation) which satisfies the massless wave equation with respect to the auxiliary metric. By contrast with the case for ψ, the associated energy density of ψ is not only conserved but is also non-negative.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Concrete Testing Case for Closure of Handford’s 241-C Underground Storage Tanks

Sixty percent of the nation's highly toxic and radioactive mixed wastes are stored at Hanford in 177 deteriorating underground storage tanks. To close or remove these storage tanks from service and place them in a condition that is protective of human health and the environment, the tanks must be physically stabilized to prevent subsidence once wastes have been retrieved. Remaining residual liquid waste in the tanks that cannot be removed must be solidified and the solid wastes encapsulated to meet the Nuclear Regulatory Commission, Department of Energy, Environmental Protection Agency, and the State of Washington requirements. The Department of Energy has developed cementitious flowable concretes to restrict access and provide chemical stabilization for radionuclides. Formulation, laboratory, and field testing for application at Hanford began with flowable, self-leveling structural and non-structural fills. A slump flow equal to or greater than 610 mm, 0% bleed water, and 0.1% (by volume) shrinkage measurements were key parameters guiding reformulation efforts that resulted in highly flowable, self-consolidating concretes that met Hanford 241-C Tank closure short- and long-term regulatory and engineering performance requirements.

formula development↗
DOE OSTI2025

A Novel Deployable Telescope Baffle Using the Kresling Origami Fold

This report introduces a novel deployable origami baffle designed for telescopes and optical systems, which reduces stray light while maintaining high compactness ratios and low weight. This design leverages the planar nature of the end caps on a cylindrical Kresling origami fold to incorporate mounting points, deployable options, and baffle vanes. The adaptable nature of origami (number of faces, origami geometrical ratios, scaling, etc.) allows the design to easily conform to system requirements, including field of view, deployed length, stowed/deployed stability points, and available volume. Geometric ratios that exhibit bistability in both the stowed and deployed states are discussed in detail, as this results in a rigid structure that maintains its desired configuration. Several designs were conceptualized, and multiple small-scale prototypes were constructed. Potential applications include camera lens hoods, lightweight astronomy telescopes, and deployable baffles for space telescopes and optical systems.

42 ENGINEERING↗