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NASA NTRS2015

Cosmology Large Angular Scale Surveyor (CLASS) Focal Plane Development

The Cosmology Large Angular Scale Surveyor (CLASS) will measure the polarization of the Cosmic Microwave Background to search for and characterize the polarized signature of inflation. CLASS will operate from the Atacama Desert and observe approx.70% of the sky. A variable-delay polarization modulator provides modulation of the polarization at approx.10Hz to suppress the 1/f noise of the atmosphere and enable the measurement of the large angular scale polarization modes. The measurement of the inflationary signal across angular scales that spans both the recombination and reionization features allows a test of the predicted shape of the polarized angular power spectra in addition to a measurement of the energy scale of inflation. CLASS is an array of telescopes covering frequencies of 38, 93, 148, and 217 GHz. These frequencies straddle the foreground minimum and thus allow the extraction of foregrounds from the primordial signal. Each focal plane contains feedhorn-coupled transition-edge sensors that simultaneously detect two orthogonal linear polarizations. The use of single-crystal silicon as the dielectric for the on-chip transmission lines enables both high efficiency and uniformity in fabrication. Integrated band definition has been implemented that both controls the bandpass of the single-mode transmission on the chip and prevents stray light from coupling to the detectors.

polarized signature of inflation↗

DOE OSTI2021

Bayesian Spatially Varying Multi-Regularization Image Deblurring

Many scientific experiments such as those found in astronomy, geology, microbiology, and X-ray radiography require the use of high-energy instruments to capture images. Since blur and noise are inevitably present in any imaging system, the images must be \deblurred" to extract the full information content. Mathematically, image deblurring is an ill-posed inverse problem that requires regularization. The regularization, in turn, has a large effect on the deblurred image: different regularization strengths, and types, lead to drastically different reconstructions. Moreover, many images contain a mixture of smooth and sharp features which suggests the use of multi-regularization, i.e., varying the type of regularization (e.g. Tikhonov or total variation) across the image. We address these issues by formulating the image deblurring problem within a hierarchical Bayesian framework in which we spatially adapt the strength of the regularization and also vary the regularization type across the image. In this way, the image itself, along with corresponding regularization strength at each pixel, are described jointly by a posterior distribution which we can sample by Markov chain Monte Carlo (MCMC) methods. We illustrate our techniques on simplified test problems and apply them to high-energy X-ray images taken at the Nevada National Security Site. Numerical tests show that our new method is robustly applicable and increases the quality of the image reconstruction when compared to other (Bayesian) methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Noncentrosymmetric Triangular Magnet CaMnTeO 6 : Strong Quantum Fluctuations and Role of s 0 versus s 2 Electronic States in Competing Exchange Interactions

Abstract Noncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO 6 is created based on careful chemical and physical considerations. The model material displays competing magnetic interactions and features nonlinear optical responses with the capability of generating coherent photons. The incommensurate magnetic ground state of CaMnTeO 6 with an unusually large spin rotation angle of 127°(1) indicates that the anisotropic interlayer exchange is strong and competing with the isotropic interlayer Heisenberg interaction. The moment of 1.39(1) µB , extracted from low‐temperature heat capacity and neutron diffraction measurements, is only 46% of the expected value of the static moment 3 µB . This reduction indicates the presence of strong quantum fluctuations in the half‐integer spin S = 3/2 CaMnTeO 6 magnet, which is rare. By comparing the spin‐polarized band structure, chemical bonding, and physical properties of AMnTeO 6 ( A = Ca, Sr, Pb), how quantum‐chemical interpretation can illuminate insights into the fundamentals of magnetic exchange interactions, providing a powerful tool for modulating spin dynamics with atomically precise control is demonstrated.

36 MATERIALS SCIENCE↗

DOE OSTI2020

A greedy algorithm for computing eigenvalues of a symmetric matrix with localized eigenvectors

Here, we present a greedy algorithm for computing selected eigenpairs of a large sparse matrix $H$ that can exploit localization features of the eigenvector. When the eigenvector to be computed is localized, meaning only a small number of its components have large magnitudes, the proposed algorithm identifies the location of these components in a greedy manner, and obtains approximations to the desired eigenpairs of $H$ by computing eigenpairs of a submatrix extracted from the corresponding rows and columns of $H$. Even when the eigenvector is not completely localized, the approximate eigenvectors obtained by the greedy algorithm can be used as good starting guesses to accelerate the convergence of an iterative eigensolver applied to $H$. We discuss a few possibilities for selecting important rows and columns of $H$ and techniques for constructing good initial guesses for an iterative eigensolver using the approximate eigenvectors returned from the greedy algorithm. We demonstrate the effectiveness of this approach with examples from nuclear quantum many-body calculations and many-body localization studies of quantum spin chains.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Investigating Microtopographic and Soil Controls on a Mountainous Meadow Plant Community Using High-Resolution Remote Sensing and Surface Geophysical Data

Our study aims to explore the microtopographic controls that dictate the heterogeneity of plant communities in a mountainous floodplain-hillslope system, using remote sensing and surface geophysical techniques. Working within a lower montane floodplain-hillslope study site (750 m × 750 m) in the Upper Colorado River Basin, we developed a new data fusion framework, based on machine learning and feature engineering, that exploits remote sensing optical and light detection and ranging (LiDAR) data to estimate the distribution of key plant meadow communities at submeter resolution. We collected surface electrical resistivity tomography data to explore the variability in soil properties along a floodplain-hillslope transect at 0.50-m resolution and extracted LiDAR-derived metrics to model the rapid change in microtopography. Furthermore, we investigated the covariability among the estimated plant community distributions, soil information, and topographic metrics. Results show that our framework estimated the distribution of nine plant communities with higher accuracy (87% versus 80% overall; 85% versus 60% for shrubs) compared to conventional classification approaches. Analysis of the covariabilities reveals a strong correlation between plant community distribution, soil electric conductivity, and slope, indicating that soil moisture is a primary control on heterogeneous spatial distribution. At the same time, microtopography plays an important role in creating particular ecosystem niches for some of the communities. Such relationships could be exploited to provide information about the spatial variability of soil properties. This highly transferable framework can be employed within long-term monitoring to capture community-specific physiological responses to perturbations, offering the possibility of bridging local plot-scale observations with large landscape monitoring.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Endogenous and asymmetric magnetic reconnection with associated processes of relevance to fusion burning plasmas

We report an endogenous magnetic reconnection process is characterized by a driving factor that lays within the layer where a drastic change of magnetic field topology occurs. This kind of process is shown to take place in the presence of an electron temperature gradient in a well-confined plasma where, referring to quasi-collisionless regimes, the resulting electron temperature fluctuations can be anisotropic. Then a class of (radially) localized reconnecting modes is identified. These involve a transverse generated field $\tilde{B}_x$ of odd parity (as a function of the radial variable), and have finite (phase) velocities of propagation contrary to commonly considered reconnecting modes. The widths of the relevant reconnection layers remain significant even when large macroscopic distances are considered. Given that there are plasmas in the Universe with considerable electron thermal energy contents, these features can be relied upon in order to produce magnetic field generation, or conversion of magnetic energy into particle energy when the coupling of the localized odd modes to extended even modes can be significant. In any case, the resulting magnetic islands are not symmetric. With their excitation these modes can extract momentum from the main body of the plasma column which should recoil in the opposite direction. The excitation of antisymmetric endogenous modes is shown to be relevant to the electron temperature heating due to the reaction products in a fusion burning plasma as, in this case, the longitudinal thermal conductivity on selected rational magnetic surfaces can be decreased, relative to its collisional value, by the effects of reconnection. This kind of steepening is proposed to have a role in enhancing the growth rate of the instability involved in disruption events of the plasma column. The best agreement between theory and experiments concerning the onset of magnetic reconnection is (probably) represented by the theory of the internal kink mode. The observed accelerated reconnection rate following the onset is suggested as being explained by the formation of a relatively large magnetic island with a local steepening of the electron temperature gradient. A new kind of odd 'thermonuclear heating' mode associated with symmetric reconnection is identified.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Matrix-Model Simulations Using Quantum Computing, Deep Learning, and Lattice Monte Carlo

Matrix quantum mechanics plays various important roles in theoretical physics, such as a holographic description of quantum black holes, and it underpins the only practical numerical approach to the study of complex high-dimensional supergravity theories. Understanding quantum black holes and the role of entanglement in a holographic setup is of paramount importance for the realization of a quantum theory of gravity. Moreover, a complete numerical understanding of the holographic duality and the emergence of geometric space-time features from microscopic degrees of freedom could pave the way for new discoveries in quantum information science. Euclidean lattice Monte Carlo simulations are the de facto numerical tool for understanding the spectrum of large matrix models and have been used to test the holographic duality. However, they are not tailored to extract dynamical properties or even the quantum wave function of the ground state of matrix models. Quantum computing and deep learning provide potentially useful approaches to study the dynamics of matrix quantum mechanics. If successful in the context of matrix models, these rapidly improving numerical techniques could become the new Swiss army knife of quantum gravity practitioners. In this paper, we perform the first systematic survey for quantum computing and deep-learning approaches to matrix quantum mechanics, comparing them to lattice Monte Carlo simulations. These provide baseline benchmarks before addressing more complicated problems. In particular, we test the performance of each method by calculating the low-energy spectrum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Compact, Low-Cost, Light-Weight, Superconducting, Ironless Cyclotrons for Hadron Radiotherapy

Superconducting cyclotrons are increasingly employed for proton beam radiotherapy treatment (PBRT). The use of superconductivity in a cyclotron design can reduce its mass by an order of magnitude and size by a factor of 3-4 over conventional resistive magnet technology, yielding significant reduction in overall cost of the device, the accelerator vault, and its infrastructure, as well as reduced operating costs. At MIT, previous work was focused on developing a very high field (9 T at the pole face) superconducting synchrocyclotron that resulted in a highly compact device that is about an order of magnitude lighter, and much smaller in diameter than a conventional, resistive cyclotron. The results of the study reported here were focused on a conceptual design for a compact superconducting synchrocyclotron to demonstrate the possibility to further reduce its weight by almost another order of magnitude by eliminating all iron from the device. In the absence of magnetic iron poles, the magnetic field profile in the beam gap is achieved through a set of main superconducting split pair coils energized in series with a set of distributed field-shaping superconducting coils. External magnetic field shielding is achieved through a set of outer, superconducting ring coils, also connected in series with the other coils, to cancel the stray magnetic field. These shielding coils replace the heavy iron yoke which is the conventional method to return the magnetic flux. It is noted that the 10 Gauss surface is located at a radius of about 3.5 m comparable in both ironless and conventional devices, even in the absence of iron in the ironless device. An important result from eliminating all magnetic iron in the flux circuit is the resulting linear relationship between the operating current and the magnetic field intensity. In the case with iron, the saturation of the magnetic field forces operation at one value of magnetic field. This feature design then enables continuous beam energy variation without the use of an energy degrader, thus eliminating secondary radiation during the in-depth beam scanning, increasing the ion current delivered to the patient and improving the beam quality. The beam energy is determined by the magnetic field strength at the extraction radius, and changing the field enables selection of the final beam energy. The magnetic field can be adjusted while maintaining the needed radial field profile.

Minervini, Joseph V.↗

NASA NTRS2006

Fluorescent Approaches to High Throughput Crystallography

We have shown that by covalently modifying a subpopulation, less than or equal to 1%, of a macromolecule with a fluorescent probe, the labeled material will add to a growing crystal as a microheterogeneous growth unit. Labeling procedures can be readily incorporated into the final stages of purification, and the presence of the probe at low concentrations does not affect the X-ray data quality or the crystallization behavior. The presence of the trace fluorescent label gives a number of advantages when used with high throughput crystallizations. The covalently attached probe will concentrate in the crystal relative to the solution, and under fluorescent illumination crystals show up as bright objects against a dark background. Non-protein structures, such as salt crystals, will not incorporate the probe and will not show up under fluorescent illumination. Brightly fluorescent crystals are readily found against less bright precipitated phases, which under white light illumination may obscure the crystals. Automated image analysis to find crystals should be greatly facilitated, without having to first define crystallization drop boundaries as the protein or protein structures is all that shows up. Fluorescence intensity is a faster search parameter, whether visually or by automated methods, than looking for crystalline features. We are now testing the use of high fluorescence intensity regions, in the absence of clear crystalline features or "hits", as a means for determining potential lead conditions. A working hypothesis is that kinetics leading to non-structured phases may overwhelm and trap more slowly formed ordered assemblies, which subsequently show up as regions of brighter fluorescence intensity. Preliminary experiments with test proteins have resulted in the extraction of a number of crystallization conditions from screening outcomes based solely on the presence of bright fluorescent regions. Subsequent experiments will test this approach using a wider range of proteins. The trace fluorescently labeled crystals will also emit with sufficient intensity to aid in the automation of crystal alignment using relatively low cost optics, further increasing throughput at synchrotrons.

Pusey, Marc L.↗

NASA NTRSDate not supplied

Standalone Hazard Evaluation and Refinement From Instrument Findings (S.H.E.R.I.F.)

The Standalone Hazard Evaluation From Instrument Findings (SHERIF) system is a set of novel algorithms and associated framework designed to support the generation of Digital Elevation Maps (DEMs) from multiple LiDAR scans and perform Hazard Detection (HD) and Safe Site Identification (SSI) with no dependencies on other onboard systems. SHERIF can employ several techniques to perform robust 3D keypoint extraction and Point Cloud registration (PCR) on disparate LiDAR scans of a planetary surface to generate a DEM which evolves over the course of a trajectory. The framework also supports a variety of Hazard Detection and Safe Site Identification algorithms which can be applied to the evolving DEM being produced. SHERIF features a robust and modular construction, allowing the user a high degree of flexibility in selecting and implementing whichever keypoint identificaiton, PCR and HD/SSI algorithms they may prefer, while maintaining the data products and sensor independence of the core SHERIF framework. SHERIF was recently evaluated via simulation and hardware-in-the-loop experimental testing at NASA Johnson Space Center.

hazard detection↗

NASA NTRSDate not supplied

Standalone Hazard Evaluation and Refinement From Instrument Findings (S.H.E.R.I.F.)

hazard detection↗

DOE OSTI2025

Improving the Quasi‐Biennial Oscillation via a Surrogate‐Accelerated Multi‐Objective Optimization

Accurate simulation of the quasi-biennial oscillation (QBO) is challenging due to uncertainties in representing convectively generated gravity waves. We develop an end-to-end uncertainty quantification workflow that calibrates these gravity wave processes in E3SM for a realistic QBO. Central to our approach is a domain knowledge-informed, compressed representation of high-dimensional spatio-temporal wind fields. By employing a parsimonious statistical model that learns the fundamental frequency from complex observations, we extract interpretable and physically meaningful quantities capturing key attributes. Building on this, we train a probabilistic surrogate model that approximates the fundamental characteristics of the QBO as functions of critical physics parameters governing gravity wave generation. Leveraging the Karhunen–Loève decomposition, our surrogate efficiently represents these characteristics as a set of orthogonal features, capturing cross-correlations among multiple physics quantities evaluated at different pressure levels and enabling rapid surrogate-based inference at a fraction of the computational cost of full-scale simulations. Finally, we analyze the inverse problem using a multi-objective approach. Our study reveals a tension between amplitude and period that constrains the QBO representation, precluding a single optimal solution. To navigate this, we quantify the bi-criteria trade-off and generate a set of Pareto optimal parameter values that balance the conflicting objectives. This integrated workflow improves the fidelity of QBO simulations and offers a versatile template for uncertainty quantification in complex geophysical models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Exchange current density model for the contact-determined current-voltage behavior of solar cells

An analytic expression for the current–voltage [J(V)] behavior of a solar cell as limited by equilibrium exchange current densities of both carriers at both contacts is derived. The partial currents at both contacts to a generic semiconductor absorber are assumed to be linearly proportional to the excess carrier concentration at the interface with the contacts (e.g., as with Schottky-like contacts). The assumption that the quasi-Fermi levels in the absorber are approximately flat leads to an algebraic solution for the applied voltage as a function of current, which is inverted to obtain the analytic J(V) curve. The J(V) curve reveals distinct behavior associated with electrons and holes, separately, and allows for the determination of all critical performance parameters. In particular, it demonstrates how the characteristic features of the J(V) curve depend on the relative rate at which a particular carrier (electron or hole) is collected at one contact vs the other, rather than the relative rate of electron vs hole collection at a single contact. Furthermore, the model provides a unified explanation of how majority carrier extraction limitations cause nonideal J(V) behaviors such as S-shaped curves and dark/light crossover (i.e., failure of superposition). The efficacy and limitations of the model when applied to Schottky-type and doped semiconductor contacts are discussed. The work serves as a theoretical guide to scientists studying solar cells that are thought to be primarily limited by their contacts.

Solar cells↗

DOE OSTI2020

Mixed-strategy approach to band-edge analysis and modeling in semiconductors

In semiconductor physics, the Urbach rule describes an exponential dependence of the UV-Vis absorption coefficient on photon energy at the band edge. The rule is so ubiquitously applied that a single common mechanism, variability in the local potential, is generally considered to be the cause of exponential band edges. Variability in the local potential may be caused by alloy inhomogeneity, structural defects, impurities, thermal excitation, or any other mechanism that interrupts ideal crystallinity and creates disorder. A crucial point of the Urbach rule is its development for band edges which approach linearity when plotted on a logarithmic scale. The rule was not developed in the context of nonlinear band edges with complex fine structure. Even so, this model has been applied extensively to band edges with such features. Using differential analysis and deconvolution, we develop an analytical technique capable of separating the components responsible for the fine structure observed. This approach reduces challenging signal-artifact convolution problems to a simple linear combination. Furthermore, we develop a model that can be applied to the nonlinear band-edge signals extracted. In this work, we show that in the limiting case of linearity, our model is consistent with and produces the same results as the linear Urbach model. Our model is capable of bypassing “tailing” as an indirect measure of the spread in the local potential and gives a direct measure of this quantity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Universal orbital and magnetic structures in infinite-layer nickelates

We conducted a comparative study of the rare-earth infinite-layer nickelate films, RNiO 2 (R = La, Pr, and Nd), using resonant inelastic x-ray scattering (RIXS). We found that the gross features of the orbital configurations are essentially the same, with minor variations in the detailed hybridization. For low-energy excitations, we unambiguously confirm the presence of damped magnetic excitations in all three compounds. By fitting to a linear spin-wave theory, comparable spin exchange coupling strengths and damping coefficients are extracted, indicating a universal magnetic structure in the infinite-layer nickelates. Interestingly, while signatures of a charge order are observed in LaNiO 2 in the quasielastic region of the RIXS spectrum, it is absent in NdNiO 2 and PrNiO 2 . Furthermore, this prompts further investigation into the universality and the origins of charge order within the infinite-layer nickelates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Measurement of the production and elliptic flow of (anti)nuclei in Xe-Xe collisions at √sNN = 5.44 TeV

Measurements of (anti)deuteron and (anti) 3He production in the rapidity range |𝑦|<0.5 as a function of the transverse momentum and event multiplicity in Xe-Xe collisions at a center-of-mass energy per nucleon-nucleon pair of √𝑠𝑁⁢𝑁=5.44 TeV are presented. The coalescence parameters 𝐵2 and 𝐵3 are measured as a function of the transverse momentum per nucleon. The ratios between (anti)deuteron and (anti) 3He yields and those of (anti)protons and pions are reported as a function of the mean charged-particle multiplicity density and compared with two implementations of the statistical hadronization model and with coalescence predictions. The elliptic flow of (anti)deuterons is measured for the first time in Xe-Xe collisions and shows features similar to those already observed in Pb-Pb collisions, i.e., the mass ordering at low transverse momentum and the meson-baryon grouping at intermediate transverse momentum. The production of nuclei is particularly sensitive to the chemical freeze-out temperature of the system created in the collision, which is extracted from a grand-canonical-ensemble-based thermal fit, performed for the first time including light nuclei along with light-flavor hadrons in Xe-Xe collisions. The extracted chemical freeze-out temperature 𝑇chem=(154.2±1.1) MeV in Xe-Xe collisions is similar to that observed in Pb-Pb collisions and close to the crossover temperature predicted by lattice quantum chromodynamics calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Evaluation of Additively Manufactured Monolithic SiC and SiC Ceramic Matrix Composites for Concentrating Solar Receiver Applications

Supported by an award from the Solar Technology Office, US Department of Energy, GE Aerospace Research in collaboration with Heliogen Holdings Inc, is engaged in the development of ultra-High Operating Temperature SiC-matrix Solar Thermal Air Receiver (HOTSSTAR). We report the results of our study of the effective heat transfer characteristic of several candidate structure motifs, or feature geometries, made of SiC via additive manufacturing in a simulative laboratory test. The SiC structure motifs studied include different permutations of three-dimensional periodic lattices and defined shapes. The solar-thermal simulating laboratory test setup is constructed using a 4kW CO2 laser system with beam shaping optics to apply radiative heating power on one face of 2”-diameter cylindrical feature specimens representing the structure motifs of interest for receiver element design. Using the test setup, simulative test conditions representative of a concentrated solar flux of up to ~2000 suns could be achieved in the lab tests under varying air flow through the test structure. A numerical analysis scheme is developed to extract an effective or compound heat transfer coefficient representative of the test structure under steady-state heat flow conditions.

14 SOLAR ENERGY↗

DOE OSTI2026

Overview of IMPACT Data Acquisition System and Data Reduction Process

This report documents the development of the data acquisition system (DAS) and data reduction methodologies for the Irradiated Material Property Accelerated Characterization Test (IMPACT) experiment at the Advanced Test Reactor (ATR). The IMPACT experiment is designed to enable in-pile measurement of thermal conductivity in metallic nuclear fuels, specifically U-10Zr, using an instrumented thermal conductivity probe. The DAS supports both passive temperature monitoring and active thermal interrogation of the probe through controlled AC and DC excitation. Significant modifications to laboratory-scale systems were required to accommodate the higher resistance paths associated with the in-pile application. Custom electronics and relay-controlled measurement sequencing were developed to enable the measurement and sufficient power delivery to the sensing region. A reduced-order, axisymmetric thermal model based on the thermal quadrupoles method is presented to support data interpretation. This model enables efficient evaluation of transient heat transfer behavior and facilitates solution of the inverse problem required to extract thermal properties from measured signals. Multiple boundary condition formulations are discussed to address varying experimental time scales and geometries. Additionally, machine learning techniques are introduced to support data reduction and improve confidence in inverse solutions. Convolutional neural networks are applied to identify the presence of gas gaps and other evolving geometric features that significantly impact thermal response during irradiation. These efforts contribute to the broader integration of digital twin frameworks and real-time modeling capabilities within the Advanced Fuels Campaign.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗