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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 55 records · Page 3
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DOE OSTI2022

Thermodynamics of quantum measurement and Maxwell's demon's arrow of time

Here, we discuss the thermodynamic aspects of a single qubit based device, powered by weak quantum measurements, and feedback controlled by a quantum Maxwell's demon. We discuss both discrete and time-continuous operation of the measurement based device at finite temperature of the reservoir. In the discrete example where a demon acquires information via discrete weak measurements, we find that the thermodynamic variables including the heat exchanged, extractable work, and the entropy produced are completely determined by an information theoretic measure of the demon's perceived arrow of time. We also discuss a realistic time-continuous operation of the device where the feedback is applied after a sequence of weak measurements. In the time-continuous limit, we derive the exact finite-time statistics of work, heat and entropy changes along individual quantum trajectories of the quantum measurement process, and relate them to the demon's arrow of time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Impact of bulk-edge coupling on observation of anyonic braiding statistics in quantum Hall interferometers

Abstract Quantum Hall interferometers have been used to probe fractional charge and statistics of quasiparticles. We present measurements of a small Fabry–Perot interferometer in which the electrostatic coupling constants which affect interferometer behavior can be determined experimentally. Near the center of the ν = 1/3 state this device exhibits Aharonov–Bohm interference interrupted by a few discrete phase jumps, and Φ 0 oscillations at higher and lower magnetic fields, consistent with theoretical predictions for detection of anyonic statistics. We estimate the electrostatic parameters K I and K I L by two methods: using the ratio of oscillation periods in compressible versus incompressible regions, and from finite-bias conductance measurements. We find that the extracted K I and K I L can account for the deviation of the phase jumps from the theoretical anyonic phase θ a = 2 π /3. At integer states, we find that K I and K I L can account for the Aharonov–Bohm and Coulomb-dominated behavior of different edge states.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Development of Solid Synchronous Reluctance Rotors With Multi-Material Additive Manufacturing

Synchronous reluctance (SynR) machines are promising rare-earth material-free alternatives to permanent magnet machines. However, structural challenges limit their operating speed and power density. This paper proposes and investigates multi-material additive manufacturing (MMAM) as a key-enabler to realize power-dense and high-speed SynR machines. It does so by proposing designs that guide magnetic flux through solid rotors realized by selective placement of magnetic and non-magnetic materials. To explore this concept, first, material samples are additively manufactured and experimentally characterized to assess the structural and magnetic properties that can be expected for the proposed rotors. Second, the design space of each rotor type is explored using these measured properties within finite element analysis. The results reveal that MMAM can enable fabrication of SynR motors with power density levels that are at the leading edge of all conventional electric machine topologies. It is shown that tip speeds in excess of 300 m/s can be achieved, resulting in 3-4x improvement in power density over conventional SynR motors. A solid SynR rotor is printed in an experimental MMAM laser powder bed fusion system. The rotor is paired with an existing stator to create a functional SynR motor with a saliency ratio of 2.59 and torque rating of 4.15 Nm. This is the first publication of a SynR rotor prototype constructed via MMAM.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Kinetic Limitations in Single-Crystal High-Nickel Cathodes

High-nickel cathodes attract immense interest for use in lithium-ion batteries, to boost Li-storage capacity while reducing cost. For overcoming the intergranular-cracking issue in polycrystals, single-crystals are considered an appealing alternative, but aggravating concerns on compromising the electrochemical kinetics of electrodes. We report here a quantitative assessment of electrochemical reaction in single-crystal LiNi 0.8 Mn 0.1 Co 0.8 O 2 using operando hard X-ray microscopy/spectroscopy, revealing a strong dependence of redox kinetics on the state of charge (SOC) - being sluggish at low SOC while increasing rapidly as SOC increases both in the bulk electrode and individual particles. The observation is corroborated by transport measurements and finite-element simulation, indicating that the sluggish kinetics in single-crystals is governed by ionic transport at low SOC and may be alleviated through synergistic interaction with polycrystals integrated into a same electrode. Finally, with the elucidated mechanistic origin and alleviation solution of kinetic limitations in single-crystal high-Ni cathodes, this work constitutes a step forward in enabling their practical deployment.

25 ENERGY STORAGE↗
DOE OSTI2023

A materials data framework and dataset for elastomeric foam impact mitigating materials

The availability of materials data for impact-mitigating materials has lagged behind applications-based data. For example, data describing on-field helmeted impacts are available, whereas material behaviors for the constituent impact-mitigating materials used in helmet designs lack open datasets. Here, we describe a new FAIR (findable, accessible, interoperable, reusable) data framework with structural and mechanical response data for one example elastic impact protection foam. The continuum-scale behavior of foams emerges from the interplay of polymer properties, internal gas, and geometric structure. This behavior is rate and temperature sensitive, therefore, describing structure-property characteristics requires data collected across several types of instruments. Data included are from structure imaging via micro-computed tomography, finite deformation mechanical measurements from universal test systems with full-field displacement and strain, and visco-thermo-elastic properties from dynamic mechanical analysis. These data facilitate modeling and design efforts in foam mechanics, e.g., homogenization, direct numerical simulation, or phenomenological fitting. The data framework is implemented using data services and software from the Materials Data Facility of the Center for Hierarchical Materials Design.

36 MATERIALS SCIENCE↗
DOE OSTI2022

In-situ, nanoscale fracture toughness measurements for improved mechanical interfaces

In this project, we demonstrated stable nanoscale fracture in single-crystal silicon using an in-situ wedge-loaded double cantilever beam (DCB) specimen. The fracture toughness KIC was calculated directly from instrumented measurement of force and displacement via finite element analysis with frictional corrections. Measurements on multiple test specimens were used to show K IC = 0.72 ± 0.07 MPa m 1/2 on {111} planes and observe the crack-growth resistance curve in <500 nm increments. The exquisite stability of crack growth, instrumented measurement of material response, and direct visual access to observe nanoscale fracture processes in an ideally brittle material differentiate this approach from prior DCB methods.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Precautions of Using Three-Electrode Configuration to Measure Electrode Overpotential in Solid Oxide Electrochemical Cells: Insights from Finite Element Modeling

Accurate determination of electrode overpotentials is essential to assess the performance of the electrode and understand the rate-limiting steps involved. Three-electrode configuration with the use of a reference electrode at a fixed potential is a standard way to measure overpotential of a specific electrode in liquid electrochemical systems. However, application of such three-electrode configuration to solid electrochemical cells for overpotential determination is not straightforward and requires extra caution. Here we report a theoretical Finite Element Analysis on the geometrical requirements for which the reference electrode can be applied to anode- or electrolyte-supported solid oxide button cells. The modeling results suggest that the symmetry of the working and counter electrodes is the key factor determining if a reference electrode is suitable to use. For anode-supported fuel cells with asymmetrical working and counter electrodes, reference electrode cannot be used under all circumstances. To use reference electrode for overpotential measurements, electrolyte-supported cells with symmetrical semicircular-shaped electrodes are preferred. A data processing procedure has also been presented to obtain the electrode overpotential from the measured potential using the three-electrode scheme in solid oxide electrochemical cells.

25 ENERGY STORAGE↗
DOE OSTI2026

Generalizing synthetic data-trained acoustic predictive models to real-world measurements

Acoustic Resonance Spectroscopy (ARS) is highly sensitive to structural properties such as material, geometry, and environmental conditions; as a consequence, it can noninvasively measure internal properties that are unobservable by most other methods. Because of its sensing capabilities and low implementation cost and complexity, ARS has potential as a paradigm shift in noninvasive sensing, characterization, and monitoring applications. However, extracting specific properties from ARS measurements, comprising the vibration spectrum of a test object, is challenging due to the sensitivity of the spectra to other structural changes not being measured, e.g. manufacturing tolerances, component coupling, environmental variation, etc. Neural Networks are promising tools for identifying trends in ARS measurements, but their training typically requires large datasets, which are often impractical to obtain for real-world systems. Synthetic data can be simulated efficiently, but discrepancies between synthetic and real-world data frequently lead to poor generalization when testing on the real-world data. We propose a novel ARS model training framework that enables networks trained exclusively on synthetic ARS data to generalize effectively to real-world measurements. Our approach leverages the Correlation Alignment (CORAL) technique to enforce the extraction of features common to both synthetic and real-world domains. As a case study, we demonstrate noninvasive ARS-based pressure measurements in sealed systems. Finite element method (FEM) simulations were used to generate synthetic training data across diverse vessel configurations and pressure conditions, and model performance was then tested on real-world measurements. We demonstrate that robust machine learning models for ARS can be developed without large real-world datasets, significantly broadening the applicability of ARS for noninvasive sensing. Moreover, the approach is extensible to other sensing modalities where synthetic data are abundant but real-world data are limited.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Simultaneous Measurements of Noncommuting Observables: Positive Transformations and Instrumental Lie Groups

We formulate a general program for describing and analyzing continuous, differential weak, simultaneous measurements of noncommuting observables, which focuses on describing the measuring instrument autonomously, without states. The Kraus operators of such measuring processes are time-ordered products of fundamental differential positive transformations, which generate nonunitary transformation groups that we call instrumental Lie groups. The temporal evolution of the instrument is equivalent to the diffusion of a Kraus-operator distribution function, defined relative to the invariant measure of the instrumental Lie group. This diffusion can be analyzed using Wiener path integration, stochastic differential equations, or a Fokker-Planck-Kolmogorov equation. This way of considering instrument evolution we call the Instrument Manifold Program. We relate the Instrument Manifold Program to state-based stochastic master equations. We then explain how the Instrument Manifold Program can be used to describe instrument evolution in terms of a universal cover that we call the universal instrumental Lie group, which is independent not just of states, but also of Hilbert space. The universal instrument is generically infinite dimensional, in which case the instrument’s evolution is chaotic. Special simultaneous measurements have a finite-dimensional universal instrument, in which case the instrument is considered principal, and it can be analyzed within the differential geometry of the universal instrumental Lie group. Principal instruments belong at the foundation of quantum mechanics. We consider the three most fundamental examples: measurement of a single observable, position and momentum, and the three components of angular momentum. As these measurements are performed continuously, they converge to strong simultaneous measurements. For a single observable, this results in the standard decay of coherence between inequivalent irreducible representations. For the latter two cases, it leads to a collapse within each irreducible representation onto the classical or spherical phase space, with the phase space located at the boundary of these instrumental Lie groups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Linear convergence of accelerated conditional gradient algorithms in spaces of measures

A class of generalized conditional gradient algorithms for the solution of optimization problem in spaces of Radon measures is presented. The method iteratively inserts additional Dirac-delta functions and optimizes the corresponding coefficients. Under general assumptions, a sub-linear [see formula in PDF] rate in the objective functional is obtained, which is sharp in most cases. To improve efficiency, one can fully resolve the finite-dimensional subproblems occurring in each iteration of the method. We provide an analysis for the resulting procedure: under a structural assumption on the optimal solution, a linear [see formula in PDF] convergence rate is obtained locally.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Improving stability of ALD ZrN thin film coatings over U-Mo dispersion fuel

Atomic layer deposition (ALD) of ZrN is a candidate technology for coating U-Mo dispersion fuel as a diffusion barrier coating. During the early development stages of the coating the ZrN deposition showed to be mechanically unstable and ultimately resulted in spalling. Based on experimental outcomes it was found that instabillity can be eliminated through the introduction of a thin amorphous (a) Al 2 O 3 interlayer coating deposited in between the ~1-μm thick ZrN and the U-Mo. substrate. To elucidate these findings simulations were performed with density functional theory (DFT) to measure work of adhesions at different interfaces while finite element modeling (FEM) was performed to measure the residual stress distribution. DFT indicated that the ZrN coating deposited over (a)-Al 2 O 3 is ~2.5 times stronger when compared to direct deposition over U or UO 2 substrate. While calculations from FEM recognized; (1) large stress concentrations can originate from the irregularly distributed native surface oxides (UO 2 ) over U-Mo and (2) stress concentrations can be reduced if those surface UO 2 can be modified to a uniform layer (achieved after application of a 8 nm (a)-Al 2 O 3 interlayer). These results provided explanations and confirmed the role played by interlayer in eliminating the original mechanical instability of the ZrN.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Wake-up and fatigue mechanisms in ferroelectric Hf 0.5 Zr 0.5 O 2 films with symmetric RuO 2 electrodes

In this work, the mechanisms leading to wake-up and fatigue in ferroelectric hafnium zirconium oxide thin film devices with symmetric RuO 2 electrodes are investigated via polarization, relative permittivity, dielectric nonlinearity, pyroelectric coefficient, and microfocus X-ray diffraction (XRD) measurements. The devices are observed to wake-up for up to 10 3 bipolar pulsed field cycles, after which fatigue occurs with the polarization approaching zero following 10 8 cycles. Wake-up is accompanied by a decrease in both high-field permittivity and hysteresis loop pinching and an increase in pyroelectric coefficient, indicating that the wake-up process involves a combination of transformations from the tetragonal to the orthorhombic phase and domain depinning from defect redistribution. Fatigue is observed to coincide with an increase in irreversible domain wall motion and a decrease in pyroelectric coefficient. Finite pyroelectric coefficients are measured on fully fatigued devices, indicating that domain pinning is a strong contributor to fatigue and that fatigued devices contain domain structures that are unable to switch under the fields applied for measurement. Microfocus XRD patterns measured on each device reveal that the phase constitution is qualitatively unaffected by the field cycling and resultant polarization fatigue. This data indicates that the wake-up process has contributions from both phase transformations and domain depinning, whereas the fatigue process is driven primarily by domain pinning, and the near-zero measured switchable polarization is actually a poled device with immobile domains. These observations provide insight into the physical changes occurring during field cycling of HfO 2 -based ferroelectrics while examining a possible oxide electrode material for silicon CMOS device implementation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Vibrational metrics for the evaluation of internal conditions in a scaled nuclear dry storage cask

In many countries, permanent repositories for high burnup spent nuclear fuel assemblies have yet to be established. As a result, much of the spent fuel from nuclear reactors is contained within dry storage casks, with many being beyond their designed service life. The assessment of the internal structural integrity of these casks and the fuel assemblies contained therein is of critical importance for both extended storage and transport to permanent repositories. The large size, structural complexity, and inaccessibility of the interior of the casks make this task challenging. To address these difficulties, a 1:6 scaled model based closely on the design of a Transnuclear (TN-32) dry storage cask was fabricated to facilitate controlled studies of these structures in the laboratory. Vibrational spectroscopy was used to evaluate the state of the cargo and internal structures within the cask utilizing only measurements on the outer surface. Using modes identified through Finite Element modeling corresponding to those previously measured on a full-scale TN-32 cask, we report on the development of amplitude- and phase-based metrics that are sensitive to internal conditions in the lab cask. Steel rod bundles and steel shot were used as surrogates for intact and damaged fuel assemblies, and various internal configurations of these materials were investigated. Finally, the metrics were based on acquired spectra involving the (1, 2) global bending mode and the (2, 1) radial-with-shearing mode. The results show that the metrics are sensitive to the condition of a single assembly and have some ability to determine the locations of damaged and empty slots.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

In situ effective pumping speed measurements as a tool for non-evaporable getter activation and saturation monitoring

We have developed method of in situ effective pumping speed measurements based on injecting finite gas pulse into a vacuum volume and subsequent recording of pressure response using a Residual Gas Analyzer (RGA). The pressure burst caused by injected gas pulse falls exponentially in time and the exponential coefficient of such pressure decay is proportional to total effective pumping speed of all vacuum pumps acting on vacuum chamber volume. The effective pumping speed can be extracted from the dependence of injected gas species pressure vs time recorded by an RGA. Non-Evaporable Getters (NEGs) are widely used in multiple ultra and extremely high vacuum devices and applications during the last several decades. Areas of NEG applications were recently expanded into vacuum devices with relatively high-pressure levels (up to 10 -7 Torr) by the invention of high capacity ZAO NEG which can be operated at elevated temperatures. The intrinsic property of all NEG-based vacuum pumps is the reduction of their pumping speed, called “NEG saturation”, after an extended period of operation. Typical time interval for such process can span from about a month and up to a few years depending on NEG type, vacuum level of NEG pump operation, and residual gas content. After that, the NEG pump will require a re-activation cycle to restore its pumping speed close to the initial value. For many applications it is difficult to realize what is the current pumping speed of NEG pump is and when the pump should be re-activated. A method for in situ effective pumping speed measurements developed in this study can be used as a tool for NEG-based pump activation and saturation monitoring. Application of such an approach to monitor pumping status of NEG pumps was utilized and will be continually used at Extended EBIS which was recently developed and commissioned for Relativistic Heavy Ion Collider (RHIC) and future Electron Ion Collider (EIC). The results obtained during commissioning are presented and discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Inverse point source location with the Helmholtz equation on a bounded domain

The problem of recovering acoustic sources, more specifically monopoles, from point-wise measurements of the corresponding acoustic pressure at a limited number of frequencies is addressed. To this purpose, a family of sparse optimization problems in measure space in combination with the Helmholtz equation on a bounded domain is considered in this study. A weighted norm with unbounded weight near the observation points is incorporated into the formulation. Optimality conditions and conditions for recovery in the small noise case are discussed, which motivates concrete choices of the weight. The numerical realization is based on an accelerated conditional gradient method in measure space and a finite element discretization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Thin Film Synthesis of SrZn2P2 with SrI2 Post-Annealing for Enhanced Crystallinity and Optoelectronic Quality

Ternary Zintl phosphides are promising light-absorbing semiconductors for thin-film optoelectronic applications, but strategies for controlling their microstructure and optoelectronic quality remain underexplored. Here, we report the synthesis of phase-pure SrZn2P2 thin films using radio-frequency co-sputtering in a PH3 + Ar atmosphere and investigate the impact of post-growth processing on their structural and optical properties. Grazing-incidence X-ray scattering and Raman spectroscopy confirm the formation of crystalline SrZn2P2 films over a finite compositional window. Optical measurements reveal clear absorption near the direct-band-gap energy (~1.8 eV) and near-band-edge photoluminescence. Further, we have studied the effects of chemically compatible halide-assisted annealing. It is found that SrI2 treatments lead to pronounced grain growth and reduced diffraction peak broadening while preserving phase purity, in contrast to rapid thermal or forming-gas annealing. Notably, annealing with SrI2 at 450 degrees C significantly enhances both the intensity and spatial uniformity of the photoluminescence, thus connecting the observed microstructural consolidation with improved radiative recombination. Our study demonstrates that halide-assisted annealing provides an effective pathway for microstructural control in SrZn2P2 thin films and highlights a generalizable processing strategy for advancing Zintl phosphide semiconductors toward optoelectronic applications.

14 SOLAR ENERGY↗
DOE OSTI2024

Analytical insights into the interplay of momentum, multiplicity, and the speed of sound in heavy-ion collisions

We introduce a minimal model of ultracentral heavy-ion collisions to study the relation between the speed of sound of the produced plasma and the final particles' energy and multiplicity. We discuss how the particles' multiplicity N tot and average energy E tot / N tot is related to the speed of sound c s by c s 2 = d ln ( E tot / N tot ) / d ln N tot if the fluid is inviscid, its speed of sound is constant and all final particles can be measured. We show that finite rapidity cuts on the particles' multiplicity N and energy E introduce corrections between c s 2 and d ln ( E / N ) / d ln N that depend on the system's lifetime. We study analytically these deviations with the Gubser hydrodynamic solution, finding that, for ultrarelativistic bosons, they scale as the ratio of the freeze-out temperature T FO over the maximum initial temperature of the fluid T 0 ; the nonthermodynamic aspect of these corrections is highlighted through their dependence on the system's initial conditions. Published by the American Physical Society 2024

Physics↗
DOE OSTI2024

Reanalysis of the 𝛽− $\overline{v}$ 𝑒 Angular Correlation Measurement from the aSPECT Experiment with New Constraints on Fierz Interference

On the basis of revisions of some of the systematic errors, we reanalyzed the electron-antineutrino angular correlation (𝑎 coefficient) in free neutron decay inferred from the recoil energy spectrum of the protons which are detected in 4⁢𝜋 by the aSPECT spectrometer. With 𝑎=−0.104 02⁢(82), the new value differs only marginally from the one published in 2020. Here, the experiment also has sensitivity to 𝑏, the Fierz interference term. From a correlated (𝑏,𝑎) fit to the proton recoil spectrum, we derive a limit of 𝑏 =−0.0098⁢(193) which translates into a somewhat improved 90% confidence interval region of −0.041 ≤ 𝑏 ≤ 0.022 on this hypothetical term. Tighter constraints on 𝑏 can be set from a combined analysis of the PERKEO III (𝛽 asymmetry) and aSPECT measurement which suggests a finite value of 𝑏 with 𝑏 (𝑐) =−0.0181 ± 0.0065 deviating by 2.82⁢𝜎 from the standard model.

Beta decay↗