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DOE OSTI2023

Quantum Devices for Neutrino and Rare Particle Detection (Final Report)

This report summarizes the technical work completed under the DOE-QuanISED program. This grant allowed the MIT group --and associated groups on the project, including UMass Amherst and Argonne National Laboratory -- to explore the use of superconducting bolometers for the purpose of neutrino and low mass dark matter detection. These low threshold bolometric detection techniques have wide applicability in nuclear and particle physics, including searching for low mass weakly-interacting dark matter; detecting neutrinos via coherent neutrino scattering; searching for axions and nuclear non-proliferation. In addition, we explored how using techniques readily used by the quantum computing community–such as multiplexed microwave resonators and quantum amplifiers—could be used as a low noise readout scheme for an array of superconducting detectors. We briefly summarized the accomplishments under the project, and what future research directions have spawned from this research.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Study of phase decoherence in GeSn (8%) through measurements of the weak antilocalization effect

Alloying germanium with tin offers a means to modulate germanium's electronic structure, enabling a greater degree of control over quantum properties such as the retention of the phase or spin of the electron wave. However, the extent to which the presence of high dopant concentrations in GeSn alters these quantum behaviors is poorly understood. Here, we investigate the role of dopant concentrations on phase coherence through measurements of the weak antilocalization (WAL) effect at temperatures between 30 mK and 10 K in p-GeSn (8%) thin films, which were doped to a series of carrier densities on the order of 10 12 cm –2 . Phase coherence and spin–orbit lengths were extracted from the magnetoconductivities using the 2D Hikami–Larkin–Nagaoka model. Phase coherence lengths peaked at 577, 593, and 737 nm for the low-, mid-, and high-density samples, while upper limits on the spin–orbit lengths of less than 25 nm were relatively independent of carrier density and temperature. The phase coherence lengths increased as the temperature decreased but changed only minimally with carrier density, contrary to common models of temperature-dependent inelastic scattering. Saturation of the phase coherence lengths occurred below 600 mK. Based on these findings, intrinsically generated inelastic scattering mechanisms such as two-level systems or impurity band scattering likely contribute to phase decoherence in these alloys. Our results provide insight into the inelastic scattering mechanisms of GeSn, while suggesting a need for further investigation into phase decoherence mechanisms in doped group-IV alloys.

42 ENGINEERING↗

DOE OSTI2022

Understanding of bacterial lignin extracellular degradation mechanisms by Pseudomonas putida KT2440 via secretomic analysis

Abstract Background Bacterial lignin degradation is believed to be primarily achieved by a secreted enzyme system. Effects of such extracellular enzyme systems on lignin structural changes and degradation pathways are still not clearly understood, which remains as a bottleneck in the bacterial lignin bioconversion process. Results This study investigated lignin degradation using an isolated secretome secreted by Pseudomonas putida KT2440 that grew on glucose as the only carbon source. Enzyme assays revealed that the secretome harbored oxidase and peroxidase/Mn 2+ -peroxidase capacity and reached the highest activity at 120 h of the fermentation time. The degradation rate of alkali lignin was found to be only 8.1% by oxidases, but increased to 14.5% with the activation of peroxidase/Mn 2+ -peroxidase. Gas chromatography–mass spectrometry (GC–MS) and two-dimensional 1 H– 13 C heteronuclear single-quantum coherence (HSQC) NMR analysis revealed that the oxidases exhibited strong C–C bond ( β-β , β -5, and β -1) cleavage. The activation of peroxidases enhanced lignin degradation by stimulating C–O bond ( β -O-4) cleavage, resulting in increased yields of aromatic monomers and dimers. Further mass spectrometry-based quantitative proteomics measurements comprehensively identified different groups of enzymes particularly oxidoreductases in P. putida secretome, including reductases, peroxidases, monooxygenases, dioxygenases, oxidases, and dehydrogenases, potentially contributed to the lignin degradation process. Conclusions Overall, we discovered that bacterial extracellular degradation of alkali lignin to vanillin, vanillic acid, and other lignin-derived aromatics involved a series of oxidative cleavage, catalyzed by active DyP-type peroxidase, multicopper oxidase, and other accessory enzymes. These results will guide further metabolic engineering design to improve the efficiency of lignin bioconversion. Graphical Abstract

09 BIOMASS FUELS↗

NASA NTRS2011

2010 CEOS Field Reflectance Intercomparisons Lessons Learned

This paper summarizes lessons learned from the 2009 and 2010 joint field campaigns to Tuz Golu, Turkey. Emphasis is placed on the 2010 campaign related to understanding the equipment and measurement protocols, processing schemes, and traceability to SI quantities. Participants in both 2009 and 2010 used an array of measurement approaches to determine surface reflectance. One lesson learned is that even with all of the differences in collection between groups, the differences in reflectance are currently dominated by instrumental artifacts including knowledge of the white reference. Processing methodology plays a limited role once the bi-directional reflectance of the white reference is used rather than a hemispheric-directional value. The lack of a basic set of measurement protocols, or best practices, limits a group s ability to ensure SI traceability and the development of proper error budgets. Finally, rigorous attention to sampling methodology and its impact on instrument behavior is needed. The results of the 2009 and 2010 joint campaigns clearly demonstrate both the need and utility of such campaigns and such comparisons must continue in the future to ensure a coherent set of data that can span multiple sensor types and multiple decades.

Thome, Kurtis↗

NASA NTRS2016

Electromagnetic Scattering by Fully Ordered and Quasi-Random Rigid Particulate Samples

In this paper we have analyzed circumstances under which a rigid particulate sample can behave optically as a true discrete random medium consisting of particles randomly moving relative to each other during measurement. To this end, we applied the numerically exact superposition T-matrix method to model far-field scattering characteristics of fully ordered and quasi-randomly arranged rigid multiparticle groups in fixed and random orientations. We have shown that, in and of itself, averaging optical observables over movements of a rigid sample as a whole is insufficient unless it is combined with a quasi-random arrangement of the constituent particles in the sample. Otherwise, certain scattering effects typical of discrete random media (including some manifestations of coherent backscattering) may not be accurately replicated.

Radiative transfer↗

NASA NTRS1988

The Mark III stellar interferometer

The Mark III interferometer is an operational long baseline stellar interferometer on Mt. Wilson with four-possible baseline configurations from 9m NE-SW to 20m N-S. The interferometer was designed to be a highly automated astronomical instrument to measure stellar positions and diameters to a magnitude limit of seven. Initial fringe observations were made in September 1986 with a 12-m N-S baseline. In the following months, semi-automated astrometric and stellar diameter measurements were also made. This paper describes the hardware and software components of the instrument and its operational characteristics. The interferometer has several novel features. One is the use of optimal estimation and control algorithms (e.g. Kalman filters) in the control loops. Another is the ability to operate both as a closed-loop phased interferometer and eventually as an open-loop or absolute coherent interferometer. High thermal stability and mechanical accuracy should permit the instrument to point blind at an astronomical object and maintain optical path equality to within the limits set by the atmosphere. In this absolute interferometric mode of operation, it should be possible to observe faint astronomical objects that are too dim for phase tracking. In theory, measurements of amplitude, group delay, and closure phase will be possible to 14 mag.

Shao, M.↗

NASA NTRS1994

Scale disparity and spectral transfer in anisotropic numerical turbulence

To study the effect of cancellations within long-range interactions on local isotropy at the small scales, we calculate explicitly the degree of cancellation in distant interactions in the simulations of Yeung & Brasseur and Yeung, Brasseur & Wang using the single scale disparity parameter 's' developed by Zhou. In the simulations, initially isotropic simulated turbulence was subjected to coherent anisotropic forcing at the large scales and the smallest scales were found to become anisotropic as a consequence of direct large-small scale couplings. We find that the marginally distant interactions in the simulation do not cancel out under summation and that the development of small-scale anisotropy is indeed a direct consequence of the distant triadic group, as argued by Yeung, et. al. A reduction of anisotropy at later times occurs as a result of the isotropizing influences of more local energy-cascading triadic interactions. Nevertheless, the local-to-nonlocal triadic group persists as an isotropizing influence at later times. We find that, whereas long-range interactions, in general, contribute little to net energy transfer into or out of a high wavenumber shell k, the anisotropic transfer of component energy within the shell increases with increasing scale separations. These results are consistent with results by Zhou, and Brasseur & Wei, and suggest that the anisotropizing influences of long range interactions should persist to higher Reynolds numbers. The residual effect of the forced distant group in this low-Reynolds number simulation is found to be forward cascading, on average.

Zhou, YE↗

DOE OSTI2022

Snowmass Neutrino Frontier NF10 Topical Group Report: Netrino Detectors

We discuss here future neutrino detectors with physics goals ranging from the eV to the EeV scale. The focus is on future enabling technologies for such detectors, rather than existing detectors or those under construction. The report includes methodologies across the broad spectrum of neutrino physics: liquid noble and other cryogenic detectors, including LAr and LXe TPCs; photon-based detectors including technologies enabling hybrid Cherenkov/scintillation detectors; low-threshold detectors which use a wide variety of technologies to probe physics like coherent neutrino-nucleus scattering or detection of cosmic background neutrinos; and ultra-high energy detectors including optical and radio detectors, as well as tracking detectors for use at the forward physics facility of the LHC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1972

A very high frequency radio interferometer for investigating ionospheric disturbances using geostationary satellites. Determination of changes in exospheric electron content by a comparison of group delay and Faraday rotation

The theory and development of a VHF correlation radio interferometer for investigating ionospheric disturbances are discussed. The system was developed to receive signals from the geostationary Applications Technology Satellites. Amplitude and phase variations of the signal passing through the ionosphere can be detected by this instrument. The system consists of two superheterodyne receivers separated by a distance known as the baseline of the system. Since the system is a phase sensitive instrument, the local oscillators of the two receivers must be phase coherent. This is accomplished by using phase-locked loops for generating the local oscillators. The two signals from the separate receivers are cross-correlated by multiplying the two signals together and then time averaging the result. The sensitivity of the instrument is increased by off-setting one of the local oscillators by a small amount.

Terry, R.↗

DOE OSTI2023

Ground-state order in magic-angle graphene at filling ν = - 3 : A full-scale density matrix renormalization group study

Here we investigate twisted bilayer graphene (TBG) at filling ν = -3 in the presence of realistic heterostrain. Strain amplifies the band dispersion and drives the system beyond the strong-coupling regime of previous theoretical studies. We use DMRG to conduct an unbiased, large-scale numerical calculations that include all spin and valley degrees of freedom, up to bond dimension χ = 24576. We establish a global phase diagram that unifies a number of theoretical and experimental results. Near zero strain we find an intervalley-coherent quantized anomalous Hall (QAH-IVC) state, a competitive strong-coupling order that evaded past numerical studies. A tiny strain around 0.05% drives a transition into an incommensurate Kekulé spiral (IKS) phase, supporting the mean-field prediction in [Kwan, Phys. Rev. X 11, 041063 (2021)2160-330810.1103/PhysRevX.11.041063]. Even higher strains above 0.2% favor a flavor-symmetric metallic order, which may explain metals found at ν = -3 in many experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Quantifying Dam-Induced Fluctuations in Streamflow Frequencies Across the Colorado River Basin

Periodic fluctuations in natural streamflow are a major driver of river ecosystem dynamics and water resource management. However, most U.S. rivers are impacted both by long-term hydroclimatic trends and dams that alter flow variability. Despite these impacts, it remains largely unexplored how dams affect the dominant frequencies of natural streamflow over a highly regulated river network. We investigated the entire Colorado River Basin (CRB) to understand how the annual (10–14 months) and multi-annual (24–60 months) frequencies in natural flow regimes have been progressively altered by dams. Given the significant alteration over the CRB, we captured changes in streamflow frequencies between naturalized and observed monthly flows via wavelet analysis. Based on the similarity of changes in streamflow frequencies (annual and multi-annual) over the last 30 years, sections of the riverine network were classified into four groups. The annual frequency was relatively well preserved downstream of Hoover Dam, while showing a systematic trend of alteration downstream of Glen Canyon Dam until Hoover Dam. Meanwhile, the multi-annual frequency component was highly altered for the entire Lower Colorado main stem (i.e., downstream of Glen Canyon). We also identified dams with significant impacts on streamflow frequency by comparing wavelet coherence estimates. This study advances the notion that dams fundamentally alter river flow regimes across multiple frequencies and with varying amplitudes over time and space, with alteration propagating – or being dampened – by both hydroclimatic fluctuations and water resource management.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1985

MAGSAT scalar anomaly map of South America

A scalar magnetic anomaly map was prepared for South America and adjacent marine areas directly from original MAGSAT orbits. The preparation of the map poses special problems, notably in the separation of external field and crustal anomalies, and in the reduction of data to a common altitude. External fields are manifested in a long-wavelength ring current effect, a medium-wavelength equatorial electrojet, and short-wavelength noise. The noise is reduced by selecting profiles from quiet periods, and since the electrojet is confined primarily to dusk profiles, its effect is minimized by drawing the data set from dawn profiles only. The ring current is corrected through the use of the standard ring current equation, augmented by further filtering with a Butterworth bandpass filter. Under the assumption that the time-variant ring current is best removed when a replication of redundant profiles is achieved, a test set of 25 groups of 3 nearly coincident orbits per group is set up for filtering with a range of long-wavelength cutoffs to determine which cutoff best replicates the residual profiles. Altitude differences are then normalized by an inversion of the profile data onto a grid of equivalent point dipoles, and recalculated at an altitude of 350 km. The resulting map, when compared to the 2 deg averaged map, shows more coherent anomalies, with notable differences in the region affected by the electrojet.

Ridgway, J. R.↗

NASA NTRS1972

The systematic evolution of a NASA software technology, Appendix C

A long range program is described whose ultimate purpose is to make possible the production of software in NASA within predictable schedule and budget constraints and with major characteristics such as size, run-time, and correctness predictable within reasonable tolerances. As part of the program a pilot NASA computer center will be chosen to apply software development and management techniques systematically and determine a set which is effective. The techniques will be developed by a Technology Group, which will guide the pilot project and be responsible for its success. The application of the technology will involve a sequence of NASA programming tasks graduated from simpler ones at first to complex systems in late phases of the project. The evaluation of the technology will be made by monitoring the operation of the software at the users' installations. In this way a coherent discipline for software design, production maintenance, and management will be evolved.

Deregt, M. P.↗

NASA NTRS1980

Radio frequency arraying method for receivers

A method and apparatus for increasing the signal to noise ratio of a receiving facility for coherent frequency reception by arraying receiving systems using separate antennas for each, or one antenna for all systems are presented. One system is operated with a carrier tracking loop to provide a first local oscillator frequency for the first and all other systems arrayed, with individual tracking loops in all other systems operated at IF for tracking out any phase differences due to separate group delays using an adjustable phase shifter for a second reference to compensate for different group delays in the antenna and low noise amplifier of each of the other systems. The second IF output of all systems is summed into the first system. This technique may also be used when two systems are arrayed to an antenna designed for circular or linear polarization diversity reception to effectively provide the same signal to noise ratio for both polarized signal transmission channels that would result from matched polarization. An arrangement adapted to high rate telemetry reception is disclosed. With additional components, the same arrangement is adapted to provide low rate telemetry reception as well.

Brockman, M. H.↗

DOE OSTI2023

Frustrated Magnetism and Ferroelectricity in a Dy 3+ -Based Triangular Lattice

Triangular lattice magnets have attracted extensive research interest because they are potential hosts for geometrically frustrated magnetism and strong quantum fluctuations. Here, utilizing a laser floating zone technique, we report the first-time successful growth of a DyInO 3 sizable crystal, which contains Dy3+-based triangular layers. The fine-tuning of Indium stoichiometry was found to be the key factor in the stabilization of the desired hexagonal phase. The X-ray diffraction study of the crystal structure reveals a non-centrosymmetric P6 3mc space group. Switchable polarization, i.e., ferroelectricity, and ferroelectric domain configuration are experimentally demonstrated at room temperature. Anisotropic magnetic and thermodynamic measurements unveil antiferromagnetic interactions, the absence of long-range ordering down to 0.1 K, and a possible doublet ground state, indicating a strongly frustrated magnetism. Our findings suggest that the DyInO 3 crystal is an excellent platform for studying emergent phenomena and their interplay with coherent topological defects in the quantum realm.

36 MATERIALS SCIENCE↗

NASA NTRS1986

Description of data on the Nimbus 7 LIMS map archive tape: Ozone and nitric acid

The Nimbus 7 Limb Infrared Monitor of the Stratosphere (LIMS) data set has been processed into a Fourier coefficient representation with a Kalman filter algorithm applied to profile data at individual latitudes and pressure levels. The algorithm produces synoptic data at noon Greenwich Mean Time (GMT) from the asynoptic orbital profiles. This form of the data set is easy to use and is appropriate for time series analysis and further data manipulation and display. Ozone and nitric acid results are grouped together in this report because the LIMS vertical field of views (FOV's) and analysis characteristics for these species are similar. A comparison of the orbital input data with mixing ratios derived from Kalman filter coefficients indicates errors in mixing ratio of generally less than 5 percent, with 15 percent being a maximum error. The high quality of the mapped data was indicated by coherence of both the phases and the amplitudes of waves with latitude and pressure. Examples of the mapped fields are presented, and details are given concerning the importance of diurnal variations, the removal of polar stratospheric cloud signatures, and the interpretation of bias effects in the data near the tops of profiles.

Remsberg, E. E.↗

DOE OSTI2020

Considerations for three-dimensional image reconstruction from experimental data in coherent diffractive imaging

The Datasets folder contains 3 datasets, corresponding to the datasets mentioned in the article with 670, 2691 and 586 images. The Runs folder has all the runs used. Besides the images itself it also contains tags for each image under `/entry_1/image_1/detector_and_photon_corrected/tags`. The `headings` attribute gives the name of each tag. The `Jonas Strict` tag corresponds to the 670 images, the `Redflamingo` tag to the 2691 images and the `Redflamingo_Ida_subset` tag to the 586 images. The final dataset with 260 images can be obtained from `Datasets/amoc6914-Redflamingo-manual-586.h5` and use the `/model/diameterNM` group to select the 260 images with size closest to 214 nm.

AMO↗

DOE OSTI2022

Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory

Strong electron correlation plays an important role in transition-metal and heavy-metal chemistry, magnetic molecules, bond breaking, biradicals, excited states, and many functional materials, but it provides a significant challenge for modern electronic structure theory. The treatment of strongly correlated systems usually requires a multireference method to adequately describe spin densities and near-degeneracy correlation. However, quantitative computation of dynamic correlation with multireference wave functions is often difficult or impractical. Multiconfiguration pair-density functional theory (MC-PDFT) provides a way to blend multiconfiguration wave function theory and density functional theory to quantitatively treat both near-degeneracy correlation and dynamic correlation in strongly correlated systems; it is more affordable than multireference perturbation theory, multireference configuration interaction, or multireference coupled cluster theory and more accurate for many properties than Kohn–Sham density functional theory. This perspective article provides a brief introduction to strongly correlated systems and previously reviewed progress on MC-PDFT followed by a discussion of several recent developments and applications of MC-PDFT and related methods, including localized-active-space MC-PDFT, generalized active-space MC-PDFT, density-matrix-renormalization-group MC-PDFT, hybrid MC-PDFT, multistate MC-PDFT, spin–orbit coupling, analytic gradients, and dipole moments. We also review the more recently introduced multiconfiguration nonclassical-energy functional theory (MC-NEFT), which is like MC-PDFT but allows for other ingredients in the nonclassical-energy functional. We discuss two new kinds of MC-NEFT methods, namely multiconfiguration density coherence functional theory and machine-learned functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗