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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Nodal fermions in the strongly spin-orbit coupled pyrochlore-lattice compound RbBi2

We explore the topological electronic band structure of the pyrochlore lattice in the strong spin-orbit coupling regime. Using angle-resolved photoemission spectroscopy, first-principles calculations, and symmetry analysis, we have investigated the bulk electronic structure of RbBi2, which has a Bi pyrochlore network. We observe the presence of 3D massless Dirac fermions enforced by nonsymmorphic symmetry, as well as a 3D quadratic band crossing protected by cubic crystalline symmetry. Furthermore, we identify an additional 3D linear Dirac dispersion associated with band inversion protected by threefold rotation symmetry. These observations reveal the rich band topology of itinerant pyrochlore lattice systems in the strong SOC limit and serve as a starting point to explore correlated topological phases in geometrically frustrated lattices.

Oh, Dongjin↗
DOE OSTI2024

Absence of E 2 g Nematic Instability and Dominant A 1 g Response in the Kagome Metal CsV 3 Sb 5

Ever since the discovery of the charge density wave (CDW) transition in the kagome metal CsV 3 Sb 5 , the nature of its symmetry breaking has been under intense debate. While evidence suggests that the rotational symmetry is already broken at the CDW transition temperature ( T CDW ), an additional electronic nematic instability well below T CDW has been reported based on the diverging elastoresistivity coefficient in the anisotropic channel ( m E 2 g ). Verifying the existence of a nematic transition below T CDW is not only critical for establishing the correct description of the CDW order parameter, but also important for understanding low-temperature superconductivity. Here, we report elastoresistivity measurements of CsV 3 Sb 5 using three different techniques probing both isotropic and anisotropic symmetry channels. Contrary to previous reports, we find the anisotropic elastoresistivity coefficient m E 2 g is temperature independent, except for a step jump at T CDW . The absence of nematic fluctuations is further substantiated by measurements of the elastocaloric effect, which show no enhancement associated with nematic susceptibility. On the other hand, the symmetric elastoresistivity coefficient m A 1 g increases below T CDW , reaching a peak value of 90 at T * = 20 K . Our results strongly indicate that the phase transition at T * is not nematic in nature and the previously reported diverging elastoresistivity is due to the contamination from the A 1 g channel. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Visual Analytics of Multivariate Networks With Representation Learning and Composite Variable Construction

Multivariate networks are commonly found in real-world data-driven applications. Uncovering and understanding the relations of interest in multivariate networks is not a trivial task. This article presents a visual analytics workflow for studying multivariate networks to extract associations between different structural and semantic characteristics of the networks (e.g., what are the combinations of attributes largely relating to the density of a social network?). The workflow consists of a neural-network-based learning phase to classify the data based on the chosen input and output attributes, a dimensionality reduction and optimization phase to produce a simplified set of results for examination, and finally an interpreting phase conducted by the user through an interactive visualization interface. A key part of our design is a composite variable construction step that remodels nonlinear features obtained by neural networks into linear features that are intuitive to interpret. We demonstrate the capabilities of this workflow with multiple case studies on networks derived from social media usage and also evaluate the workflow with qualitative feedback from experts.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Controlling quantum many-body dynamics in driven Rydberg atom arrays

Dynamic stabilization of an array Large-scale systems comprising one-dimensional chains and two-dimensional arrays of excited atoms held in a programmable optical lattice are a powerful platform with which to simulate emergent phenomena. Bluvstein et al. built an array of up to 200 Rydberg atoms and subjected the system to periodic excitation. Under such driven excitation, they found that the array of atoms stabilized, freezing periodically into what looked like time crystals. Understanding and controlling the dynamic interactions in quantum many-body systems lies at the heart of contemporary condensed matter physics and the exotic phenomena that can occur. Science , this issue p. 1355

Science & Technology - Other Topics↗
DOE OSTI2022

Nuclide inventory characterization of EBR-II MOX fuel test pins

Characterization of 3 mixed oxide (MOX) fuel pins from the Experimental Breeder Reactor II (EBR-II) SPA-2/-2B experiment program was performed in support of the Advanced Reactor Experiments for Sodium Fast Reactor Fuels (ARES) joint project between Idaho National Laboratory (INL) and the Japan Atomic Energy Agency (JAEA). The characterization efforts were performed to enable transient testing in the Transient Reactor Test (TREAT) facility at INL and will include post irradiation examination (PIE) and other analyses. MOX fuel pins UW02009, 02011, and 06024 were historically irradiated from 1989 to 1994 for a total of 822.42 effective full power days (EFPDs) and peak burnup of approximately 14.3 at.% (atomic percent of heavy metal atoms, ∼134.4 GWd/t). They had since been placed in storage until a future use was identified. Characterization of the fission products and activation of each fuel pin was necessary to enable removal from storage and subsequent irradiation testing or PIE activities. The initial fuel pin geometry and composition were established using historical documentation. Irradiation history details were utilized to compute irradiated and decayed fuel pin masses, atomic densities, and activities. A pellet-wise axial neutron flux was also computed to assist in evaluation of the axial distribution of {sup 235}U and {sup 239}Pu, per pellet, within each of the test fuel pins. The results computed herein supported experiment design for advanced high-burnup MOX fuel designs under slow transient overpower (MOXTOP) conditions, which was Phase I of the ARES project. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

A CONDUCTION-BASED HEAT PIPE MODEL FOR ANALYZING THE ENTIRE PROCESS OF LIQUID-METAL HEAT PIPE STARTUP

The Heat Pipe-cooled Microreactor (HPM) is one of the micro nuclear reactor designs under active study at the U.S. Idaho National Laboratory. Among the major concerns of HPM research is to understand the startup behavior of the heat pipe-cooled system associated with the startup of the liquid-metal heat pipes initialing from frozen state. The startup of liquid-metal heat pipes typically involves a number of nonlinear mass and heat transport processes including the phase change from solid to liquid and vapor. Hence, it is still a huge challenge to simulate the liquid-metal heat pipe startup using conventional CFD methods and software. The major difficulties of numerical CFD modeling come from the phase-change process, multiphase interaction, microporous wick flow, and compressible gas dynamics that occur during startup of the liquid-metal heat pipes. This paper proposes a simplified conduction-based method to provide practical insights into the entire startup process of the liquid-metal heat pipes while mitigating the challenges of addressing all the complex physics. We discuss the theoretical basis and modeling assumptions to analyze the liquid-metal heat pipe startup from frozen state based solely on heat-conduction equations. Then, the proposed model is implemented into the commercial CFD software to verify the model performance. The model prediction results are discussed via the comparison with the experimental data obtained from sodium heat-pipe startup experiments.

42 ENGINEERING↗
DOE OSTI2020

Sodium tungstate-promoted CaMnO 3 as an effective, phase-transition redox catalyst for redox oxidative cracking of cyclohexane

Oxidative cracking, which combines catalytic oxidation and cracking reactions, represents a promising approach to reduce the energy and carbon intensities for light olefin production from naphtha. The need to co-feed gaseous oxygen with hydrocarbons, however, leads to significant CO x formation and safety concerns. The cost and energy consumption associated with air separation also affects its economic attractiveness. In this study, we investigated a redox oxidative cracking (ROC) scheme and evaluated perovskites (La 0.8 Sr 0.2 FeO 3 and CaMnO 3 ) and Na 2 WO 4 -promoted perovskite (La 0.8 Sr 0.2 FeO 3 @Na 2 WO 4 and CaMnO 3 @Na 2 WO 4 ) as the redox catalysts for ROC. CaMnO 3 @Na 2 WO 4 redox catalyst shows high activity, selectivity, and stability for light olefin production from cyclohexane. Operated under a redox oxidative cracking (ROC) scheme, CaMnO 3 @Na 2 WO 4 enhances the catalytic cracking of cyclohexane, while showing high selectivity towards hydrogen combustion with its built-in, active lattice oxygen. Over three-fold increase in olefin yield compared to thermal cracking and 35% yield increase compared to conventional O 2 -cofeed oxidative cracking were achieved. Low energy ion scattering (LEIS), X-ray photoelectric spectroscopy (XPS), and differential scanning calorimetry (DSC) indicated a core-shell structure, where a molten Na 2 WO 4 layer covers the CaMnO 3 core. Na 2 WO 4 modifies the oxygen donation behavior of CaMnO 3 and provides a catalytically active surface for cyclohexane activation. In-situ XRD revealed that CaMnO 3 @Na 2 WO 4 exhibited excellent structural stability and regenerability. The transformation of Mn 4+ ↔ Mn 3+ ↔ Mn 2+ in CaMnO 3 , facilitated by reversible phase transition to (Ca/Mn)O solid solution, is responsible for the lattice oxygen donation and uptake during redox cycles. Electrochemical impedance spectroscopy (EIS) measurements further confirmed that the oxygen species were transported through the molten Na 2 WO 4 layer to participate in ROC. These findings offer mechanistic insights to design effective redox catalysts for hydrocarbon valorization using the chemical looping strategy.

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

Infrared Nanoimaging of Hydrogenated Perovskite Nickelate Memristive Devices

Solid-state devices made from correlated oxides, such as perovskite nickelates, are promising for neuromorphic computing by mimicking biological synaptic function. However, comprehending dopant action at the nanoscale poses a formidable challenge to understanding the elementary mechanisms involved. Here, we perform operando infrared nanoimaging of hydrogen-doped correlated perovskite, neodymium nickel oxide (H-NdNiO 3 , H-NNO), devices and reveal how an applied field perturbs dopant distribution at the nanoscale. This perturbation leads to stripe phases of varying conductivity perpendicular to the applied field, which define the macroscale electrical characteristics of the devices. Hyperspectral nano-FTIR imaging in conjunction with density functional theory calculations unveils a real-space map of multiple vibrational states of H-NNO associated with OH stretching modes and their dependence on the dopant concentration. Moreover, the localization of excess charges induces an out-of-plane lattice expansion in NNO which was confirmed by in situ X-ray diffraction and creates a strain that acts as a barrier against further diffusion. Our results and the techniques presented here hold great potential for the rapidly growing field of memristors and neuromorphic devices wherein nanoscale ion motion is fundamentally responsible for function.

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

Perspectives on Quenching and Tempering 4340 Steel

Steels are ubiquitous due to their affordability and the landscape of useful properties that can be generated for engineering applications. But to further expand the performance envelope, one must be able to understand and control microstructure development by alloying and processing. In this paper we use multiscale, advanced characterization to better understand the structural and chemical evolution of AISI 4340 steel after quenching and tempering (Q&T), including the role of quench rate and short-time, isothermal tempering below 573 K (300 °C), with an emphasis on carbide formation. We compare the microstructure and/or property changes produced by conventional tempering to those produced by higher temperature, short-time “rapid” tempering. We underscore that no single characterization technique can fully capture the subtle microstructure changes like carbon redistribution, transition carbide and/or cementite formation, and retained austenite decomposition that occur during Q&T. Only the use of multiple techniques begins to unravel these complexities. After controlled fast or slow quenching, η transition carbides clearly exist in the microstructure, likely associated with autotempering of this high martensite start temperature (Ms) steel. Isothermal tempering below 598 K (325 °C) results in the relief of carbon supersaturation in the martensite, primarily by the formation of η transition carbides that exhibit a range of carbon levels, seemingly without substitutional element partitioning between the carbide and matrix phases. Hägg transition carbide is present between 300 °C and 325 °C. After conventional tempering at or above 598 K (325 °C) for 2 h, cementite is predominant, but small amounts of cementite are also present in other conditions, even after quenching. Previous work has indicated that silicon (Si) and substitutional elements partition between the cementite, which initially forms under paraequilibrium conditions, and the matrix. Phosphorous (P) may also be preferentially located at cementite/matrix interfaces after high temperature tempering. Slower quench rates result in greater amounts of retained austenite compared to those after fast quenching, which we attribute to increased austenite stability resulting from “autopartitioning”. Rapid, high temperature tempering is also found to diminish tempered martensite embrittlement (TME) believed to be associated with the extent of austenite decomposition, resulting in mechanical properties not attainable by conventional tempering, which may have important implications with respect to industrial heat treatment processes like induction tempering. Controlling the amount and stability of retained austenite is not only relevant to the properties of Q&T steels, but also next-generation advanced high strength steels (AHSS) with austenite/martensite mixtures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Spatiotemporal distribution of chemical signatures exhibited by Myxococcus xanthus in response to metabolic conditions

Myxococcus xanthus is a common soil bacterium with a complex life cycle, which is known for production of secondary metabolites. However, little is known about the effects of nutrient availability on M. xanthus metabolite production. In this study, we utilize confocal Raman microscopy (CRM) to examine the spatiotemporal distribution of chemical signatures secreted by M. xanthus and their response to varied nutrient availability. Here, ten distinct spectral features are observed by CRM from M. xanthus grown on nutrient-rich medium. However, when M. xanthus is constrained to grow under nutrient-limited conditions, by starving it of casitone, it develops fruiting bodies, and the accompanying Raman microspectra are dramatically altered. The reduced metabolic state engendered by the absence of casitone in the medium is associated with reduced, or completely eliminated, features at 1140 cm –1 , 1560 cm –1 , and 1648 cm –1 . In their place, a feature at 1537 cm –1 is observed, this feature being tentatively assigned to a transitional phase important for cellular adaptation to varying environmental conditions. In addition, correlating principal component analysis heat maps with optical images illustrates how fruiting bodies in the center co-exist with motile cells at the colony edge. While the metabolites responsible for these Raman features are not completely identified, three M. xanthus peaks at 1004, 1151, and 1510 cm –1 are consistent with the production of lycopene. Thus, a combination of CRM imaging and PCA enables the spatial mapping of spectral signatures of secreted factors from M. xanthus and their correlation with metabolic conditions.

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

A unified system for Coleman–De Luccia transitions

Highlights: • Monotonicity controls whether radius of CDL bounce is negative mode direction. • Decays from de Sitter and Anti-de Sitter analyzed in single geometric framework. • de Sitter to Anti-de Sitter instantons come in two types, similar to type-A vs type-B. We show that the presence or absence of negative modes associated with the expansion or contraction of Coleman–De Luccia instantons is controlled by the monotonicity properties of a single function parameterized by the tension and two vacuum energies. This approach simplifies and unifies certain aspects of phase transitions between two de Sitter vacua, between two Anti-de Sitter, and between one of each. This strategy may serve as a guide for identifying negative modes in more complicated gravitational theories, for instance supergravity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Mesoscale Convective Systems Dominate the Energetics of the South Asian Summer Monsoon Onset

The onset of the South Asian summer monsoon (SASM) is featured as an abrupt increase of precipitation and atmospheric column-integrated moist static energy (MSE). Using convection permitting simulations, a novel cloud tracking technique, and an MSE budget, the relative roles of mesoscale convective systems (MCSs) and non-MCS isolated deep convection in the SASM onset are studied. The analysis shows MCSs play a crucial role in the sudden increases of rainfall, diabatic MSE sources, and the subsequent enhanced export of column-integrated MSE during the onset. A “diabatic sources-energy export” plane analysis delineates the different roles of MCSs and non-MCS deep convection in the SASM onset. Although deep convection always leads to a net energy export, mesoscale organization of deep convection dominates the convection associated positive feedbacks that accelerate the energy cycle of the SASM onset. Sensitivity experiment shows that the results are insensitive to the model resolutions.

Chen, Xingchao↗
DOE OSTI2023

New Perspective on Phase Space Density Analysis for Outer Radiation Belt Enhancements: The Influence of MeV Electron Injections

Observation of growing phase space density (PSD) peak in the outer electron radiation belt has been considered evidence for local wave-driven acceleration as a primary cause of radiation belt enhancement. However, recent studies showed that strong substorm-associated MeV electron injections can also cause significant radiation belt enhancements on fast timescales (~10s min). Such rapid enhancements pose challenges for determining true spatial PSD profiles. To address this, we conduct a detailed spatiotemporal analysis of electron flux and PSD during an enhancement event, using Van Allen Probes data. Our analysis reveals rapid and intermittent flux enhancements. During these rapid enhancements, inbound spacecraft observed false PSD peaks, due to spacecraft's relatively slow movement. However, we identify time intervals of stable fluxes between enhancements, enabling us to determine quasi-stationary PSD profiles with no noticeable peaks. This study provides new insights into accurate PSD analysis, critical for understanding the mechanisms underlying radiation belt enhancements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Expanded encyclopaedias of DNA elements in the human and mouse genomes

The human and mouse genomes contain instructions that specify RNAs and proteins and govern the timing, magnitude, and cellular context of their production. To better delineate these elements, phase III of the Encyclopedia of DNA Elements (ENCODE) Project has expanded analysis of the cell and tissue repertoires of RNA transcription, chromatin structure and modification, DNA methylation, chromatin looping, and occupancy by transcription factors and RNA-binding proteins. Here we summarize these efforts, which have produced 5,992 new experimental datasets, including systematic determinations across mouse fetal development. All data are available through the ENCODE data portal (https://www.encodeproject.org), including phase II ENCODE1 and Roadmap Epigenomics2 data. We have developed a registry of 926,535 human and 339,815 mouse candidate cis-regulatory elements, covering 7.9 and 3.4% of their respective genomes, by integrating selected datatypes associated with gene regulation, and constructed a web-based server (SCREEN; http://screen.encodeproject.org) to provide flexible, user-defined access to this resource. Collectively, the ENCODE data and registry provide an expansive resource for the scientific community to build a better understanding of the organization and function of the human and mouse genomes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Quantum eigenvalue estimation via time series analysis

We present an efficient method for estimating the eigenvalues of a Hamiltonian H from the expectation values of the evolution operator for various times. For a given quantum state ρ, our method outputs a list of eigenvalue estimates and approximate probabilities. Each probability depends on the support of ρ in those eigenstates of H associated with eigenvalues within an arbitrarily small range. The complexity of our method is polynomial in the inverse of a given precision parameter ε, which is the gap between eigenvalue estimates. Unlike the well-known quantum phase estimation algorithm that uses the quantum Fourier transform, our method does not require large ancillary systems, large sequences of controlled operations, or preserving coherence between experiments, and is therefore more attractive for near-term applications. The output of our method can be used to estimate spectral properties of H and other expectation values efficiently, within additive error proportional to ε.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Multiresonant metasurfaces for arbitrarily broad bandwidth pulse chirping and dispersion compensation

Here, we show that ultrathin metasurfaces with a specific multiresonant response can enable simultaneously arbitrarily strong and arbitrarily broadband dispersion compensation, pulse (de)chirping, and compression or broadening. This breakthrough overcomes the fundamental limitations of both conventional nonresonant approaches (bulky) and modern singly resonant metasurfaces (narrowband) for quadratic phase manipulations of electromagnetic signals. The required nonuniform trains of resonances in the electric and magnetic sheet conductivities that completely control phase delay, group delay, and chirp are rigorously derived and the limitations imposed by fundamental physical constraints are thoroughly discussed. Subsequently, a practical, truncated approximation by finite sequences of physically realizable linear resonances is constructed and the associated error is quantified. By appropriate spectral ordering of the resonances, operation can be achieved either in transmission or reflection mode, enabling full space coverage. The proposed concept is not limited to dispersion compensation, but introduces a generic and powerful ultrathin platform for the spatiotemporal control of broadband real-world signals with a myriad of applications in modern optics, microwave photonics, radar, and communication systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Supersymmetric proton decay revisited

Encouraged by the advent of a new generation of underground detectors – JUNO, DUNE and Hyper-Kamiokande – that are projected to improve significantly on the present sensitivities to various baryon decay modes, we revisit baryon decay in the minimal supersymmetric SU(5) GUT. We discuss the phenomenological uncertainties associated with hadronic matrix elements and the value of the strong coupling αs – which are the most important – the weak mixing angle θ W , quark masses including one-loop renormalization effects, quark mixing and novel GUT phases that are not visible in electroweak interaction processes. We apply our analysis to a variety of CMSSM, super- and sub-GUT scenarios in which soft supersymmetry-breaking parameters are assumed to be universal at, above and below the GUT scale, respectively. In many cases, we find that the next generation of underground detectors should be able to probe models with sparticle masses that are O(10) TeV, beyond the reach of the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗