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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Quantitative X-ray dark-field and phase tomography using single directional speckle scanning technique

X-ray dark-field contrast tomography can provide important supplementary information inside a sample to the conventional absorption tomography. Recently, the X-ray speckle based technique has been proposed to provide qualitative two-dimensional dark-field imaging with a simple experimental arrangement. In this letter, we deduce a relationship between the second moment of scattering angle distribution and cross-correlation degradation of speckle and establish a quantitative basis of X-ray dark-field tomography using single directional speckle scanning technique. In addition, the phase contrast images can be simultaneously retrieved permitting tomographic reconstruction, which yields enhanced contrast in weakly absorbing materials. Such complementary tomography technique can allow systematic investigation of complex samples containing both soft and hard materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Acoustoelectric transport at gigahertz frequencies in coated epitaxial graphene

Epitaxial graphene (EG) produced from SiC surfaces by silicon sublimation is emerging as a material for electronic applications due to its good electronic properties and availability over large areas on a semiconducting substrate. In this contribution, we report on the transport of charge carriers in EG on SiC using high-frequency (>1 GHz) surface acoustic waves (SAWs). In our devices, the EG is coated with hydrogen-silsesquioxane, SiO{sub 2}, and a ZnO layer. This allows the efficient generation of SAWs and is compatible with the deposition of a metal top gate. Measurements of frequency- and time-resolved power scattering parameters confirm the generation and propagation of SAWs with frequencies of up to more than 7 GHz. Furthermore, the ZnO coating enhances the acoustoelectric currents by two orders of magnitude as compared to our previous uncoated samples. These results are an important step towards the dynamic acoustic control of charge carriers in graphene at gigahertz frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

An experimental evaluation of monochromatic x-ray beam position monitors at diamond light source

Maintaining the stability of the X-ray beam relative to the sample point is of paramount importance for beamlines and users wanting to perform cutting-edge experiments. The ability to detect, and subsequently compensate for, variations in X-ray beam position with effective diagnostics has multiple benefits: a reduction in commissioning and start-up time, less ‘down-time’, and an improvement in the quality of acquired data. At Diamond Light Source a methodical evaluation of a selection of monochromatic X-ray Beam Position Monitors (XBPMs), using a range of position detection techniques, and from a range of suppliers, was carried out. The results of these experiments are presented, showing the measured RMS noise on the position measurement of each device for a given flux, energy, beam size, and bandwidth. A discussion of the benefits and drawbacks of each of the various devices and techniques is also included.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Effect of temperature and radiation damage on the local atomic structure of metallic plutonium and related compounds

This focused review provides an overview and a framework for understanding local structure in metallic plutonium (especially the metastable fcc $δ$-phase alloyed with Ga) as it relates to self-irradiation damage. Of particular concern is the challenge of understanding self-irradiation damage in plutonium-bearing materials where theoretical challenges of the unique involvement of the 5f electrons in bonding limit the efficacy of molecular dynamics simulations and experimental challenges of working with radioactive material have limited the ability to confirm the results of such simulations and to further push the field forward. The main concentration is on extended X-ray absorption fine-structure measurements of $δ$-phase Pu, but the scope is broadened to include certain studies on plutonium intermetallics and oxides insofar as they inform the physics of damage and healing processes in elemental Pu. Here, the studies reviewed here provide insight into lattice distortions and their production, damage annealing and defect migration, and the importance of understanding and controlling sample morphology when interpreting such experiments.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

On unifying randomized methods for inverse problems

This work unifies the analysis of various randomized methods for solving linear and nonlinear inverse problems with Gaussian priors by framing the problem in a stochastic optimization setting. By doing so, we show that many randomized methods are variants of a sample average approximation (SAA). More importantly, we are able to prove a single theoretical result that guarantees the asymptotic convergence for a variety of randomized methods. Additionally, viewing randomized methods as an SAA enables us to prove, for the first time, a single non-asymptotic error result that holds for randomized methods under consideration. Another important consequence of our unified framework is that it allows us to discover new randomization methods. Here, we present various numerical results for linear, nonlinear, algebraic, and PDE-constrained inverse problems that verify the theoretical convergence results and provide a discussion on the apparently different convergence rates and the behavior for various randomized methods.

42 ENGINEERING↗
DOE OSTI2024

Implicit quantile networks for emulation in jet physics

Abstract The ability to model and sample from conditional densities is important in many physics applications. Implicit quantile networks (IQN) have been successfully applied to this task in domains outside physics. In this work, we illustrate the potential of IQNs as components of emulators using the simulation of jets as an example. Specifically, we use an IQN to map jets described by their 4-momenta at the generation level to jets at the event reconstruction level. The conditional densities emulated by our model closely match those generated by Delphes , while also enabling faster jet simulation.

Kronheim, Braden (ORCID:0000000307040972)↗
DOE OSTI2025

Reexamining circular dichroism in photoemission from a topological insulator

The orbital angular momentum (OAM) of electron states is an essential ingredient for topological and quantum geometric quantities in solids. For example, Dirac surface states with helical spin- and orbital-angular momenta are a hallmark of a 3D topological insulator. Angle-resolved photoemission spectroscopy (ARPES) with variable circular light polarization, known as circular dichroism (CD), has been assumed to be a direct probe of OAM and, by proxy, of the Berry curvature of electronic bands in energy- and momentum-space. Indeed, topological surface states have been shown to exhibit angle-dependent CD (CDAD), and more broadly, CD is often interpreted as evidence of spin-orbit coupling. Meanwhile, it is well-established that CD originates from the photoemission matrix elements, which can have extrinsic contributions related to the experimental geometry and the inherently broken inversion symmetry at the sample surface. Therefore, it is important to broadly examine CD-ARPES to determine the scenarios in which it provides a robust probe of intrinsic material physics. We performed CD-ARPES on the canonical topological insulator Bi 2 ⁢Se 3 over a wide range of incident photon energies. Not only do we observe angle-dependent CD in the surface states, as expected, but we also find CD of a similar magnitude in virtually all bulk bands. Since OAM is forbidden by inversion symmetry in the bulk, we conclude this originates from symmetry-breaking in the photoemission process. Comparison with theoretical calculations supports this view and suggests that “hidden” OAM—localized to atomic sites within each unit cell—contributes significantly. Additional effects, including inter-atomic interference and final-state resonances, are responsible for the rapid variation of the CDAD signal with photon energy.

Sidilkover, Ittai [Tel Aviv University, Tel Aviv (↗
DOE OSTI2020

Nonsuperconducting electronic ground state in pressurized BaFe 2 S 3 and BaFe 2 S 2.5 Se 0.5

In this work, we report a comprehensive study of the spin ladder compound BaFe 2 S 2.5 Se 0.5 using neutron diffraction, inelastic neutron scattering, high pressure synchrotron diffraction, and high pressure transport techniques. We find that BaFe 2 S 2.5 Se 0.5 possesses the same C m c m structure and stripe antiferromagnetic order as does BaFe 2 S 3 , but with a reduced Néel temperature of T N = 98 K compared to 120 K for the undoped system, and a slightly increased ordered moment of 1.40 μ B per iron. Additionally, the low-energy spin excitations in BaFe 2 S 2.5 Se 0.5 are likewise similar to those observed in BaFe 2 S 3 . However, unlike the reports of superconductivity in BaFe 2 S 3 below T c ~ 14 K under pressures of 10 GPa or more, we observe no superconductivity in BaFe 2 S 2.5 Se 0.5 at any pressure up to 19.7 GPa. In contrast, the resistivity exhibits an upturn at low temperature under pressure. Furthermore, we show that additional high-quality samples of BaFe 2 S 3 synthesized for this study likewise fail to become superconducting under pressure, instead displaying a similar upturn in resistivity at low temperature. These results demonstrate that microscopic, sample-specific details play an important role in determining the ultimate electronic ground state in this spin ladder system. We suggest that the upturn in resistivity at low temperature in both BaFe 2 S 3 and BaFe 2 S 2.5 Se 0.5 may result from Anderson localization induced by S vacancies and random Se substitutions, enhanced by the quasi-one-dimensional ladder structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Dynamic sparse x-ray nanotomography reveals ionomer hydration mechanism in polymer electrolyte fuel-cell catalyst

Tomographic imaging of time-evolving samples is a challenging yet important task for various research fields. At the nanoscale, current approaches face limitations of measurement speed or resolution due to lengthy acquisitions. We developed a dynamic nanotomography technique based on sparse dynamic imaging and 4D tomography modeling. We demonstrated the technique, using ptychographic x-ray computed tomography as its imaging modality, on resolving the in situ hydration process of polymer electrolyte fuel cell (PEFC) catalyst. The technique provides a 40-time increase in temporal resolution compared to conventional approaches, yielding 28 nm half-period spatial and 12 min temporal resolution. The results allow a quantitative characterization of the water intake process inside PEFC catalysts with nanoscale resolution, which is crucial for understanding their electrochemical mechanisms and optimizing their performance. Our technique enables high-speed operando nanotomography studies and paves the way for wider application of dynamic tomography at the nanoscale.

Science & Technology - Other Topics↗
DOE OSTI2026

The Role of Subcloud Mesoscale Convergence in Sculpting Convective Updraft Width and Depth

The initiation of deep moist convection is governed in part by the horizontal width of updrafts near cloud base, which limits the deleterious effects of entrainment-driven dilution on buoyant thermals ascending through the free troposphere. However, the factors controlling cloud-base updraft width, which in turn dictates cloud depth, are not well understood. We track the evolving three-dimensional structure of the mesoscale subcloud forcing for vertical motion and near-cloud thermodynamic ingredients within a high-resolution ensemble of simulations of seven realistic daytime orographic convection initiation events to determine their relative roles in controlling cloud width and depth. Statistical analysis of approximately 5000 cloudy updraft samples indicates that the most important contributors to the width of cloudy updrafts across the ensemble are the depth and magnitude of the subcloud mesoscale ascent. However, the depth achieved by clouds is more consistently predicted by the near-cloud ambient relative humidity within the lower to middle free troposphere and convective available potential energy. Therefore, although the width of cloudy updrafts may be partly set at low levels by the mesoscale vertical mass and moisture flux, the likelihood of deep moist convection is governed by the generation of positive buoyancy within cumulus thermals and entrainment-driven dilution that reduces it. The persistence of the low-level mesoscale vertical forcing locally consolidates and vertically transports boundary layer moisture, helping to reduce updraft dilution. However, these factors vary in relative impacts on cloudy updrafts across individual cases, indicating multiple pathways for deep convection initiation.

Convective storms↗
DOE OSTI2018

Dichotomous development of the gut microbiome in preterm infants

Preterm infants are at risk of developing intestinal dysbiosis with an increased proportion of Gammaproteobacteria. In this study, we sought the clinical determinants of the relative abundance of feces-associated Gammaproteobacteria in very low birth weight (VLBW) infants. Fecal microbiome was characterized at ≤ 2 weeks and during the 3rd and 4th weeks after birth, by 16S rRNA amplicon sequencing. Maternal and infant clinical characteristics were extracted from electronic medical records. Data were analyzed by linear mixed modeling and linear regression. Clinical data and fecal microbiome profiles of 45 VLBW infants (gestational age 27.9 ± 2.2 weeks; birth weight 1126 ± 208 g) were studied. Three stool samples were analyzed for each infant at mean postnatal ages of 9.9 ± 3, 20.7 ± 4.1, and 29.4 ± 4.9 days. The average relative abundance of Gammaproteobacteria was 42.5% (0–90%) at ≤ 2 weeks, 69.7% (29.9–86.9%) in the 3rd, and 75.5% (54.5–86%) in the 4th week (p < 0.001). Hierarchical and K-means clustering identified two distinct subgroups: cluster 1 started with comparatively low abundance that increased with time, whereas cluster 2 began with a greater abundance at ≤ 2 weeks (p < 0.001) that decreased over time. Both groups resembled each other by the 3rd week. Single variants of Klebsiella and Staphylococcus described variance in community structure between clusters and were shared between all infants, suggesting a common, hospital-derived source. Fecal Gammaproteobacteria was positively associated with vaginal delivery and antenatal steroids. We detected a dichotomy in gut microbiome assembly in preterm infants: some preterm infants started with low relative gammaproteobacterial abundance in stool that increased as a function of postnatal age, whereas others began with and maintained high abundance. Vaginal birth and antenatal steroids were identified as predictors of Gammaproteobacteria abundance in the early (≤ 2 weeks) and later (3rd and 4th weeks) stool samples, respectively. These findings are important in understanding the development of the gut microbiome in premature infants.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

INVESTIGATION OF THE MULTILAYER SHIELDING EFFECT THROUGH NbTiN-AlN COATED BULK NIOBIUM

Superconducting radio frequency (SRF) cavities, composed of bulk niobium (Nb), are extensively utilized in particle accelerators. To optimize their performance and extend their operational range, thin films of superconducting materials are applied to the Nb surfaces. This study focuses on investigating the magnetic field penetration characteristics of NbTiN-AlN coating on bulk niobium. The experimental setup involves measuring the magnetic field penetration across flat superconducting samples at cryogenic temperatures. One key parameter of interest is the field just before the first flux penetration, Bp which enables the observation of the multilayer shielding effect on bulk niobium under high magnetic fields. The study reveals a significant enhancement in Bp of the NbTiN-AlN coated Nb samples compared to bare Nb samples. This property holds critical importance for achieving high field performance in SRF cavities. Furthermore, the study explores the relationship between coating thickness and Bp corroborating the theoretical predictions.

Senevirathne, I. H.↗
DOE OSTI2018

Why natural monazite never becomes amorphous: Experimental evidence for alpha self-healing

Monazite, a common accessory rare-earth orthophosphate mineral in the continental crust widely used in U-Pb geochronology, holds promise for (U-Th)/He thermochronology and for the immobilization of Pu and minor actinides (MA) coming from spent nuclear fuel reprocessing. Previous results obtained on natural and plutonium-doped monazite have demonstrated the ability of this structure to maintain a crystalline state despite high radiation damage levels. However, the low critical temperature (180 °C), above which amorphization cannot be achieved in natural monazite under ion irradiation, does not explain this old and unsolved paradox: why do natural monazites, independent of their geological history, remain crystalline even when they did not experience any thermal event that could heal the defects? This is what the present study aims to address. Synthetic polycrystals of LaPO 4 -monazite were irradiated sequentially and simultaneously with α particles (He) and gold (Au) ions. Here, our results demonstrate experimentally for the first time in monazite, the existence of the defect recovery mechanism, called α-healing, acting in this structure due to electronic energy loss of α particles, which explains the absence of amorphization in natural monazite samples. This mechanism is critically important for monazite geo- and thermochronology and to design and predictively model the long-term behavior of ceramic matrices for nuclear waste conditioning.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Tractable Experiment Design via Mathematical Surrogates

This presentation summarizes the development and implementation of quantitative design criteria motivated by targeted inference objectives for identifying new, potentially expensive computational or physical experiments. The first application is concerned with estimating features of quantities of interest arising from complex computational models, such as quantiles or failure probabilities. A sequential strategy is proposed for iterative refinement of the importance distributions used to efficiently sample the uncertain inputs to the computational model. In the second application, effective use of mathematical surrogates is investigated to help alleviate the analytical and numerical intractability often associated with Bayesian experiment design. This approach allows for the incorporation of prior information into the design process without the need for gross simplification of the design criterion. Illustrative examples of both design problems will be presented as an argument for the relevance of these research problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Auxiliary-Field Quantum Monte Carlo Simulations of Strongly-Correlated Molecules and Solids

We propose a method of implementing projected wave functions for second-quantized auxiliary-field quantum Monte Carlo (AFQMC) techniques. The method is based on expressing the two-body projector as one-body terms coupled to binary Ising fields. To benchmark the method, we choose to study the two-dimensional (2D) one-band Hubbard model with repulsive interactions using the constrained-path MC (CPMC). The CPMC uses a trial wave function to guide the random walks so that the so-called fermion sign problem can be eliminated. The trial wave function also serves as the importance function in Monte Carlo sampling. As such, the quality of the trial wave function has a direct impact to the efficiency and accuracy of the simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Determination of Stress-Free Lattice Spacing (D₀) for Residual Stress Relaxation Measurement in Ni-based Superalloys by Neutron Diffraction

The residual stress and its relaxation in critical engineering components are key to structural materials reliability. The determination of residual stress in bulk engineering structures like Ni-based superalloys can be conducted by measuring the lattice strain with penetrating neutron diffraction. The state-of-the-art engineering diffraction beamline VULCAN at the Oak Ridge National Laboratory (ORNL) Spallation Neutron Source (SNS) provides the critical capability to evaluate the residual strain/stress relaxation in engineering component thanks to the high flux and event data features. By the means of residual stress/strain calculation, it is critical to accurately determine the stress-free lattice spacing d₀, which can be altered by the change of chemistry, unrelieved stress, and measurement scheme. Here we reported d₀ determination for determining residual stress relaxation and distribution in Alloy 718 superalloys after different quenching treatments. Selection of locations for d₀ measurement was discussed by considering the neutron path, attenuation and sample alignment. A dynamic d₀ that resulted from atom diffusion and chemistry change was estimated as function of time for the in-situ relaxation characterization. It demonstrated how the dynamic d₀ values may influence on the strain calculation in different thermally treated samples. The results highlight the importance of dynamic d₀ for in-situ relaxation involving chemical changes and provide guidance to the dynamic d₀ measurement and simulation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

EQ-SANS Detector Distance Check with Laser Alignment Method

In Small-Angle Scattering experiments, accurate distance information between sample and the detector is important. During the winter outage, January 2021, positions of detector, especially along the beam direction, were measured with the laser alignment tool to confirm values regularly deduced from silver behenate measurements. The results show that the current detector-z position of the EQ-SANS is accurate at all typically used detector positions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Reexamining Circular Dichroism in Photoemission From a Topological Insulator

The orbital angular momentum (OAM) of electron states is an essential ingredient for topological and quantum geometric quantities in solids. For example, Dirac surface states with helical spin- and orbital-angular momenta are a hallmark of a 3D topological insulator. Angle-resolved photoemission spectroscopy (ARPES) with variable circular light polarization, known as circular dichroism (CD), has been assumed to be a direct probe of OAM and, by proxy, of the Berry curvature of electronic bands in energy- and momentum-space. Indeed, topological surface states have been shown to exhibit angle-dependent CD (CDAD), and more broadly, CD is often interpreted as evidence of spin-orbit coupling. Meanwhile, it is well-established that CD originates from the photoemission matrix elements, which can have extrinsic contributions related to the experimental geometry and the inherently broken inversion symmetry at the sample surface. Therefore, it is important to broadly examine CD-ARPES to determine the scenarios in which it provides a robust probe of intrinsic material physics. We performed CD-ARPES on the canonical topological insulator $\mathrm{Bi}_2\mathrm{Se}_3$ over a wide range of incident photon energies. Not only do we observe angle-dependent CD in the surface states, as expected, but we also find CD of a similar magnitude in virtually all bulk bands. Since OAM is forbidden by inversion symmetry in the bulk, we conclude this originates from symmetry-breaking in the photoemission process. Comparison with theoretical calculations supports this view and suggests that $\textit{hidden}$ OAM - localized to atomic sites within each unit cell - contributes significantly. Additional effects, including inter-atomic interference and final-state resonances, are responsible for the rapid variation of the CDAD signal with photon energy.

FOS: Physical sciences↗