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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Adaptive variational ground state preparation for spin-1 models on qubit-based architectures

Here, we apply the adaptive variational quantum imaginary time evolution (AVQITE) method to prepare ground states of one-dimensional spin S = 1 models. We compare different spin-to-qubit encodings (standard binary, Gray, unary, and multiplet) with regard to the performance and quantum resource cost of the algorithm. Using state-vector simulations, we study two well-known spin-1 models: the Blume-Capel model of transverse-field Ising spins with single-ion anisotropy, and the XXZ model with single-ion anisotropy. We consider system sizes of up to 20 qubits, which corresponds to spin-1 chains up to length 10. We determine the dependence of the number of CNOT gates in the AVQITE state preparation circuit on the encoding, the initial state, and the choice of operator pool in the adaptive method. Independent of the choice of encoding, we find that the CNOT gate count scales cubically with the number of spins for the Blume-Capel model and quartically for the anisotropic XXZ model. However, the multiplet and Gray encodings present smaller prefactors in the scaling relations. These results provide useful insights for the implementation of AVQITE on quantum hardware.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Valley Stoner instability of the composite Fermi sea

We study two-component electrons in the lowest Landau level at total filling factor ν T = 1/2 with anisotropic mass tensors and principal axes rotated by π/2 as realized in aluminum arsenide (AlAs) quantum wells. Combining exact diagonalization and the density matrix renormalization group we demonstrate that the system undergoes a quantum phase transition from a gapless state in which both flavors are equally populated to another gapless state in which all the electrons spontaneously polarize into a single flavor beyond a critical mass anisotropy of m x /m y ~7. We propose that this phase transition is a form of itinerant Stoner transition between a two-component and a single-component composite Fermi sea states and describe a set of trial wave functions which successfully capture the quantum numbers and shell filling effects in finite size systems as well as providing a physical picture for the energetics of these states. Our estimates indicate that the composite Fermi sea of AlAs is the analog of an itinerant Stoner magnet with a finite spontaneous valley polarization. Here, we pinpoint experimental evidence indicating the presence of Stoner magnetism in the Jain states surrounding ν = 1/2.

2-dimensional systems↗
DOE OSTI2021

Cascades between Light and Heavy Fermions in the Normal State of Magic-Angle Twisted Bilayer Graphene

We present a framework for understanding the cascade transitions and the Landau level degeneracies of twisted bilayer graphene. The Coulomb interaction projected onto narrow bands causes the charged excitations at an integer filling to disperse, forming new bands. If the excitation moves the filling away from the charge neutrality point, then it has a band minimum at the moiré Brillouin zone center with a small mass that compares well with the experiment; if towards the charge neutrality point, then it has a much larger mass and a higher degeneracy. At a nonzero density away from an integer filling the excitations interact. The system on the small mass side has a large bandwidth and forms a Fermi liquid. On the large mass side the bandwidth is narrow, the compressibility is negative and the Fermi liquid is likely unstable. This explains the observed sawtooth features in compressibility, the Landau fans pointing away from charge neutrality and their degeneracies. The framework sets the stage for superconductivity at lower temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Dirac Node Pinning from Dzyaloshinskii-Moriya Interactions in a Kagome Spin Liquid

Recent experiments on the Kagome spin liquid candidate material YCu 3 ⁢(OH) 6 ⁢Br 2 ⁢[Br 1−𝑦 ⁢(OH) 𝑦 ] suggest the presence of Dirac fermionic spinons near the magnetization plateau at 1/9. Theories suggest that the spinons are charge neutral spin-1/2 excitations, in a 2⁢𝜋/3 flux, which triples the unit cell. Generally a gap is expected, and there is no symmetry protection for the Dirac nodes in this system. The question arises as to what causes the nodes and stabilizes them. In this work, we propose a node-creation and node-pinning mechanism driven by Dzyaloshinskii-Moriya (DM) interactions. Employing Gutzwiller-projected variational Monte Carlo calculations, we demonstrate that DM interactions induce a band closing phase transition in the spinon spectrum. There is a change in the Chern number when the bands are inverted. Together with the DM-generated internal gauge flux, the coupling to the spinon orbital magnetization counteracts the band reopening. Furthermore, this interplay energetically pins the Dirac nodes over a range of parameters, resulting in a pinning mechanism distinct from the usual one from symmetry protection.

Kagome lattice↗
DOE OSTI2019

Precision lattice parameter determination from transmission diffraction of thick specimens with irregular cross sections

Accurate determination of lattice parameters from X-ray diffraction requires that the diffraction angles be measured very precisely, and significant errors result if the sample–detector separation differs from that assumed. Transmission diffraction from bones, which have a complex cross section and must be left intact, is a situation where this separation is difficult to measure and it may differ from position to position across the specimen. Here, this article describes a method for eliminating the effect of variable sample cross section. Diffraction patterns for each position on the specimen are collected before and after 180° rotation about an axis normal to the cross section of interest. This places the centroid of the diffracting mass at the center of rotation and provides the absolute lattice parameters from the average apparent lattice parameters at the two rotation angles. Diffraction patterns were collected across the cross section of three specimens: a 3D-printed elliptical cylinder of Hyperelastic Bone (HB), which is composed primarily of synthetic hydroxyapatite (hAp), a 3D-printed HB model of the second metacarpal bone (Mc2), and a modern human Mc2 containing nanocrystalline carbonated apatite (cAp). Rietveld refinement was used to determine precise unit-cell parameters a apparent and c apparent for each pattern of each scan, and these values determined the actual average < a > and < c > for each sample. In conclusion, the results indicate that the 0°/180° rotation method works well enough to uncover variations approaching 1 × 10 -3 Å in cAp unit-cell parameters in intact bones with irregular cross sections.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Fabrication and characterization of a full-size ultra-precise lamellar grating for the Cosmic beamline at ALS-U

We have developed a new process for the production of ultra-precise variable line spacing (VLS) lamellar diffraction gratings through nanofabrication. The process enables the fabrication of full-size X-ray gratings with sub-nanometre accuracy in groove depth, an optimal land-to-groove ratio, and uniform groove depth across the entire grating area. We also established a method for evaluating VLS groove density variation using stitched Fizeau interferometry. The measurements confirmed the exceptionally high accuracy of the VLS groove density in the fabricated gratings, which is well within the specification tolerances while the residual groove density errors are vanishingly small. The gold-coated grating demonstrated near-theoretical diffraction efficiency across the energy range of 100–1200 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2017

STExNMF: Spatio-Temporally Exclusive Topic Discovery for Anomalous Event Detection

Understanding newly emerging events or topics associated with a particular region of a given day can provide deep insight on the critical events occurring in highly evolving metropolitan cities. We propose herein a novel topic modeling approach on text documents with spatio-temporal information (e.g., when and where a document was published) such as location-based social media data to discover prevalent topics or newly emerging events with respect to an area and a time point. We consider a map view composed of regular grids or tiles with each showing topic keywords from documents of the corresponding region. To this end, we present a tilebased spatio-temporally exclusive topic modeling approach called STExNMF, based on a novel nonnegative matrix factorization (NMF) technique. STExNMF mainly works based on the two following stages: (1) first running a standard NMF of each tile to obtain general topics of the tile and (2) running a spatiotemporally exclusive NMF on a weighted residual matrix. These topics likely reveal information on newly emerging events or topics of interest within a region. We demonstrate the advantages of our approach using the geo-tagged Twitter data of New York City. We also provide quantitative comparisons in terms of the topic quality, spatio-temporal exclusiveness, topic variation, and qualitative evaluations of our method using several usage scenarios. In addition, we present a fast topic modeling technique of our model by leveraging parallel computing.

Shin, Sungbok↗
DOE OSTI2023

Covariate Dependent Sparse Functional Data Analysis

This study proposes a method to incorporate covariate information into sparse functional data analysis. The method aims at cases where each subject has a limited number of longitudinal measurements and is associated with static covariates. This research is motivated by several use cases in practice. One representative example is void swelling, a nuclear-specific material degradation mechanism. Void swelling is affected by many covariates, including alloy composition and irradiation type. How to accurately model the complicated joint effects of such covariates on the swelling process is the key to mitigating the effect of swelling and ensuring safe operation. Unlike most of the existing methods, the proposed method can handle high-dimensional covariates with the informative covariate identification procedure and sparse and irregularly spaced measurements, that is, does not require complete or dense observations. The main innovation of the proposed method is that we model the variation coming from covariates and the variation left conditioned on covariates, such that the functional principal component analysis and Gaussian process can be conducted in a unified manner. Further, we also propose a systematic approach to identify important covariates in the hypothesis testing context. The methodology is demonstrated on applications in nuclear engineering and healthcare and simulation studies.

42 ENGINEERING↗
DOE OSTI2020

Method used in Tokunaga, T. et al. 2018 for simulating time- and depth- dependent temperature variations in soil and sediment in Rifle, Colorado, 2013-2016.

This data package contains temperature, moisture content, matric potential, and carbon dioxide (CO2) concentration data from the Rifle, Colorado field site and from a 2 meter tall laboratory soil/sediment column designed to simulate field conditions. In addition, redox potential data from the laboratory column are included. The purpose of the data and paper is to demonstrate how a laboratory column was constructed to reproduce the dynamics of nonisothermal conditions in the field, such that CO2 production above a variable-depth water table can be studied in the laboratory. The data package contains 3 data files corresponding to the figures in the related paper (Tokunaga, T. et al. 2018) and 1 README file with the paper information.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Measurement of Beam Energy in the Fermilab&#x27;s Linac taken at the transfer Line

Linac is the first machine in the Accelerator chain at Fermilab where 𝐻− particles are accelerated from 35 keV to 400 MeV and travel to the Booster where they are stripped. of the extra electrons to become protons. The Booster requires stable beam energy at injection. The Linac extraction energy tuning has been performed using two Beam Velocity Monitors (a.k.a Griffin detectors) to maintain stable relative energy between the Booster and the Linac. Our goal is to control the Linac energy parameters using Machine Learning techniques to increase reliability and quality of beam delivered from Linac. The first step is to understand the data from the Linac extraction diagnostics; and develop reliable, accurate methods for energy measurement and control before implementing machine learning. There were two methods of energy measurement implemented, and the results of these are compared. The first method was time of flight measurements using the Phase probes inside B eam Position Monitors (BPM) that provide the beam’s phase of arrival data. The second method used the relation between beam position data from the BPMs and dispersion values from the 400MeV MAD-X model to calculate momentum variation. The results of these two energy measurement methods compare well as the Linac energy is varied.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Planning for Material Control and Accountancy at Liquid Fueled Molten Salt Reactors

The purpose of this report is to provide molten salt reactor (MSR) developers and future US Nuclear Regulatory Commission (NRC) license applicants with recommendations for developing an effective and practical material control and accounting (MC&A) plan, focused primarily on MSR designs that use circulating liquid fuel. Because of the breadth of MSR designs, there is no single, generic, detailed MC&A plan that will work for every design. The wide variation of fresh fuel salts, the method and frequency of loading fresh fuel, the reactor system design components (e.g., tanks, filtration systems, chemical processing streams), and waste streams will determine the specific measurement locations and instrumentation that can best meet MC&A objectives throughout an MSR facility. Additionally, MSR designs are rapidly evolving, and new design features and deployment scenarios that will affect MC&A are being explored and pursued. This report defines a generic MC&A approach that was developed for terrestrial (as opposed to maritime) deployments to meet the intent of NRC domestic safeguards and MC&A. MSR license applicants should consider nuclear safeguards (both domestic and international) and security throughout the design, as early as the preconceptual design phase. MC&A of special nuclear material (SNM) is an aspect of the NRC’s domestic safeguards program, alongside physical protection. Because liquid-fueled MSRs are reactors with SNM in nondiscrete (or item) form, it is likely that the NRC may require liquid-fueled MSR license applicants to submit a formal MC&A plan as a part of their license application. Currently, the NRC licensing protocol presents a challenge because the NRC MC&A regulations have not been updated to accommodate advanced reactors, including types of MSRs. Because no liquid-fueled MSR has been licensed for operation at the time of this report, no template or precedence for a successfully licensed MSR MC&A plan exists. However, the MSR license applicant can take advantage of the NRC’s published commitments to performance-based regulations. The authors recommend that the license applicant, or MSR designers, develop an MC&A plan throughout the design lifecycle and plan to submit a detailed MC&A program description, or MC&A plan, to the NRC as a part of a license application. No MC&A plan template or guidance exists that is specific to liquid-fueled MSRs. The authors recommend that license applicants discuss the topic of MC&A during preapplication engagement. Because of the uniqueness of MC&A for liquid fueled MSRs, the authors recommend that liquid fueled MSR developers engage with the NRC on the topic of MC&A in the early phases of its design development and follow up any time there are significant modifications in design plans that would affect MC&A. For example, topics like modifications in fuel handling processes, changes in uranium enrichment, or additional chemical processing streams added to the design could be discussed with the NRC specifically on the topic of MC&A.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Anion exchange membrane test protocol validation

This study presents the validation of protocols for measuring ion exchange capacity (IEC) and alkaline stability of anion exchange membranes (AEMs) for low-temperature water electrolysis. While protocols are often tested within individual laboratories, their results across multiple laboratories with varying equipment, environmental conditions, and personnel qualification remain unverified. The validation involved Los Alamos National Laboratory (LANL), National Renewable Energy Laboratory (NREL), and University of Oregon (UO) using the same commercially available AEM to assess reproducibility and reliability of the protocols under diverse conditions. For the IEC protocol, results across laboratories were consistent within ±10% of the NMR-determined reference value. The alkaline stability protocol could pose greater challenges due to factors such as variations in sample collection timing, preservation methods, and analytical techniques, but consistent test results for percentage IEC loss were demonstrated across institutions. These results highlight the reliability and applicability of the protocols, emphasizing the importance of validation to ensure consistency in diverse research environments.

08 HYDROGEN↗
DOE OSTI2022

Curled-Skewed Wakes behind Yawed Wind Turbines Subject to Veered Inflow

This work presents a new engineering analytical model that predicts the effect of both the turbine yaw misalignment and the inflow wind veer on the wake flow distribution downwind of a wind turbine. To consider the veered inflow, two methods were examined. In the first method, the curled shape of the wake due to the yaw offset is initially modelled. The wake shape is then laterally skewed at each height due to the wind veer based on the assumption that the turbine wake is transported downstream by the incoming flow. The second method is a more realistic approach that accounts for the effect of wind veer on the wind velocity direction and the yaw angle seen by the wind turbine. This models the wake region in a local coordinate system defined based on the wind direction at each height. A coordinate transformation is then performed to represent the wake flow distribution in the global coordinate system attached to the ground. The results show that while the two methods provide similar outputs for small variations in the wind direction across the rotor, the difference becomes more evident with an increase in wind veer. High-fidelity simulations for a turbine subject to a neutral atmospheric boundary layer were employed to validate model predictions for different operating conditions.

17 WIND ENERGY↗
DOE OSTI2020

PyDA: A Hands-On Introduction to Dynamical Data Assimilation with Python

Dynamic data assimilation offers a suite of algorithms that merge measurement data with numerical simulations to predict accurate state trajectories. Meteorological centers rely heavily on data assimilation to achieve trustworthy weather forecast. With the advance in measurement systems, as well as the reduction in sensor prices, data assimilation (DA) techniques are applicable to various fields, other than meteorology. However, beginners usually face hardships digesting the core ideas from the available sophisticated resources requiring a steep learning curve. In this tutorial, we lay out the mathematical principles behind DA with easy-to-follow Python module implementations so that this group of newcomers can quickly feel the essence of DA algorithms. We explore a series of common variational, and sequential techniques, and highlight major differences and potential extensions. We demonstrate the presented approaches using an array of fluid flow applications with varying levels of complexity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

A Search for Additional Bodies in the GJ 1132 Planetary System from 21 Ground-based Transits and a 100-hr Spitzer Campaign

We present the results of a search for additional bodies in the GJ 1132 system through two methods: photometric transits and transit timing variations of GJ 1132b. We collected 21 transit observations of GJ 1132b with the MEarth-South array. We obtained 100 near-continuous hours of observations with the Spitzer Space Telescope, including two transits of GJ 1132b and spanning 60% of the orbital phase of the maximum (6.9-day) period at which bodies coplanar with GJ 1132b would transit. We exclude transits of additional Mars-sized bodies, such as a second planet or a moon, with a confidence of 99.7%. We find that the planet-to-star radius ratio inferred from the MEarth and Spitzer light curves are discrepant at the 3.7σ level, which we ascribe to the effects of starspots and faculae. When we combine the mass estimate of the star (obtained from its parallax and apparent K {sub s} band magnitude) with the stellar density inferred from our high-cadence Spitzer light curve (assuming zero eccentricity), we measure the stellar radius of GJ 1132 to be 0.2105{sub −0.0085}{sup +0.0102} R{sub ⊙}, and we refine the radius measurement of GJ 1132b to 1.130±0.056 R{sub ⊕}. Combined with HARPS RV measurements, we determine the density of GJ 1132b to be 6.2 ± 2.0 g cm{sup −3}. We refine the ephemeris of the system (improving the period determination by an order of magnitude) and find no evidence for transit timing variations, which would be expected if there was a second planet near an orbital resonance with GJ 1132b.

79 ASTRONOMY AND ASTROPHYSICS↗