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DOE OSTI2022

High-fidelity qutrit entangling gates for superconducting circuits

Ternary quantum information processing in superconducting devices poses a promising alternative to its more popular binary counterpart through larger, more connected computational spaces and proposed advantages in quantum simulation and error correction. Although generally operated as qubits, transmons have readily addressable higher levels, making them natural candidates for operation as quantum three-level systems (qutrits). Recent works in transmon devices have realized high fidelity single qutrit operation. Nonetheless, effectively engineering a high-fidelity two-qutrit entanglement remains a central challenge for realizing qutrit processing in a transmon device. In this work, we apply the differential AC Stark shift to implement a flexible, microwave-activated, and dynamic cross-Kerr entanglement between two fixed-frequency transmon qutrits, expanding on work performed for the ZZ interaction with transmon qubits. We then use this interaction to engineer efficient, high-fidelity qutrit CZ † and CZ gates, with estimated process fidelities of 97.3(1)% and 95.2(3)% respectively, a significant step forward for operating qutrits on a multi-transmon device.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

A comparison of lodgepole and spruce needle chemistry impacts on terrestrial biogeochemical processes during isolated decomposition

This study investigates the isolated decomposition of spruce and lodgepole conifer needles to enhance our understanding of how needle litter impacts near-surface terrestrial biogeochemical processes. Harvested needles were exported to a subalpine meadow to enable a discrete analysis of the decomposition processes over 2 years. Initial chemistry revealed the lodgepole needles to be less recalcitrant with a lower carbon to nitrogen (C:N) ratio. Total C and N fundamentally shifted within needle species over time with decreased C:N ratios for spruce and increased ratios for lodgepole. Differences in chemistry correlated with CO 2 production and soil microbial communities. The most pronounced trends were associated with lodgepole needles in comparison to the spruce and needle-free controls. Increased organic carbon and nitrogen concentrations associated with needle presence in soil extractions further corroborate the results with clear biogeochemical signatures in association with needle chemistry. Interestingly, no clear differentiation was observed as a function of bark beetle impacted spruce needles vs those derived from healthy spruce trees despite initial differences in needle chemistry. These results reveal that the inherent chemistry associated with tree species has a greater impact on soil biogeochemical signatures during isolated needle decomposition. By extension, biogeochemical shifts associated with bark beetle infestation are likely driven more by changes such as the cessation of rhizospheric processes than by needle litter decomposition.

Bark Beetle Disturbance↗

DOE OSTI2014

Contrasting soil microbial community functional structures in two major landscapes of the Tibetan alpine meadow

The grassland and shrubland are two major landscapes of the Tibetan alpine meadow, a region very sensitive to the impact of global warming and anthropogenic perturbation. Herein, we report a study showing that a majority of differences in soil microbial community functional structures, measured by a functional gene array named GeoChip 4.0, in two adjacent shrubland and grassland areas, were explainable by environmental properties, suggesting that the harsh environments in the alpine grassland rendered niche adaptation important. Furthermore, genes involved in labile carbon degradation were more abundant in the shrubland than those of the grassland but genes involved in recalcitrant carbon degradation were less abundant, which was conducive to long-term carbon storage and sequestration in the shrubland despite low soil organic carbon content. In addition, genes of anerobic nitrogen cycling processes such as denitrification and dissimilatory nitrogen reduction were more abundant, shifting soil nitrogen cycling toward ammonium biosynthesis and consequently leading to higher soil ammonium contents. We also noted higher abundances of stress genes responsive to nitrogen limitation and oxygen limitation, which might be attributed to low total nitrogen and higher water contents in the shrubland. Together, these results provide mechanistic knowledge about microbial linkages to soil carbon and nitrogen storage and potential consequences of vegetation shifts in the Tibetan alpine meadow.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Effects of potassium treatment on SnO 2 electron transport layers for improvements of perovskite solar cells

SnO 2 has been studied intensively as an electron transport layer (ETL) for highly efficient metal halide perovskite solar cells. However, SnO 2 ETL frequently exhibits defect-related issues associated with the bulk SnO 2 and the perovskite/SnO 2 interface, and to passivate the defect states potassium ion has been used. In order to investigate the passivation effect of potassium ion, we carried out KCl treatment on the solution-processed SnO 2 ETL. It was found that KCl-treatment shifted up conduction band maximum and Fermi energy of SnO 2 , and reduced the band gap of perovskite absorber by K + diffusion, which resulted in a better conduction band alignment at perovskite/SnO 2 . Admittance spectroscopy revealed that diffused K + ions can passivate defects of the perovskite absorber layer. With the improvement of band alignment and defect passivation via the KCl treatment, the J-V hysteresis was almost eliminated and power conversion efficiency was much enhanced with improved open-circuit voltage and fill factor.

14 SOLAR ENERGY↗

DOE OSTI2012

Monomeric [alpha]-Synuclein Binds Congo Red Micelles in a Disordered Manner

The histological dye Congo Red (CR) previously has been shown to inhibit {alpha}-synuclein (aS) fibrillation, but the mode of this inhibition remained unclear. Because of favorable exchange kinetics, interaction between CR and aS lends itself to a detailed nuclear magnetic resonance study, and relaxation dispersion measurements yield the bound fraction and time scales for the interaction of aS with CR. We find that at pH 6, CR exists as a micelle, and at a CR:aS molar ratio of {approx}1, only a small fraction of aS ({approx}2%) is bound to these micelles. Rapid exchange (k{sub ex} {approx} 3000 s{sup -1}) between the free and CR-bound states broadens and strongly attenuates resonances of aS by two processes: a magnetic field-dependent contribution, caused by the chemical shift difference between the two states, and a nearly field-independent contribution caused by slower tumbling of aS bound to the CR micelle. The salt dependence of the interaction suggests a predominantly electrostatic mechanism for the 60 N-terminal residues, while the weaker interaction between residues 61-100 and CR is mostly hydrophobic. Chemical shift and transferred NOE data indicate that aS becomes slightly more helical but remains largely disordered when bound to CR. Results indicate that inhibition of fibril formation does not result from binding of CR to free aS and, therefore, must result from interaction of aS fibrils or protofibrils with CR micelles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

THE CIRCULAR POLARIZATION OF SAGITTARIUS A* AT SUBMILLIMETER WAVELENGTHS

We report the first detections of circularly polarized emission at submillimeter wavelengths from the compact radio source and supermassive black hole candidate Sgr A* at a level of 1.2% {+-} 0.3% at 1.3 mm wavelength (230 GHz) and 1.6% {+-} 0.3% at 860 {mu}m (345 GHz) with the same handedness, left circular polarization (LCP), as observed at all lower frequencies (1.4-15 GHz). The observations, taken with the Submillimeter Array in multiple epochs, also show simultaneous linear polarization (LP) at both wavelengths of about 6%. These properties differ sharply from those at wavelengths longer than 1 cm (frequencies below 30 GHz), where weak circular polarization (CP) ({approx}0.5%) dominates over LP, which is not detected at similar fractional limits. We describe an extensive set of tests to ensure the accuracy of our measurements. We find no CP in any other source, including the bright quasar 1924-292, which traces the same path on the sky as Sgr A* and therefore should be subject to identical systematic errors originating in the instrument frame. Since a relativistic synchrotron plasma is expected to produce little CP, the observed CP is probably generated close to the event horizon by the Faraday conversion process. We use a simple approximation to show that the phase shift associated with Faraday conversion can be nearly independent of frequency, a sufficient condition to make the handedness of CP independent of frequency. Because the size of the {tau} = 1 surface changes by more than an order of magnitude between 1.4 and 345 GHz, the magnetic field must be coherent over such scales to consistently produce LCP. To improve our understanding of the environment of SgrA* critical future measurements includes determining whether the Faraday rotation deviates from a {lambda}{sup 2} dependence in wavelength and whether the circular and linear components of the flux density are correlated.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Pressure-enhanced interplay between lattice, spin, and charge in the mixed perovskite La 2 FeMnO 6

Spin crossover plays a central role in the structural instability, net magnetic moment modification, metallization, and even in superconductivity in corresponding materials. Most reports on the pressure-induced spin crossover with a large volume collapse have so far focused on compounds with a single transition metal. Here we report a comprehensive high-pressure investigation of a mixed Fe-Mn perovskite La 2 FeMnO 6 . Under pressure, the strong coupling between Fe and Mn leads to a combined valence/spin transition: Fe 3+ (S=5/2) → Fe 2 + (S = 0) and Mn 3+ (S = 2) → Mn 4+ (S = 3/2), with an isostructural phase transition. The spin transitions of both Fe and Mn are offset by ~20 GPa of the onset pressure, and the lattice collapse occurs in between. Interestingly, Fe 3+ ion shows an abnormal behavior when it reaches a lower valence state (Fe 2+ ) accompanied by a +0.5 eV energy shift in the Fe K -absorption edge at 15 GPa. This process is associated with the charge-spin-orbital state transition from high spin Fe 3+ to low spin Fe 2+ , caused by the significantly enhanced t 2 g -e g crystal field splitting in the compressed lattice under high pressure. Density functional theory calculations confirm the energy preference of the high-pressure state with charge redistribution accompanied by spin state transition of Fe ions. Moreover, La 2 FeMnO 6 maintains semiconductor behaviors even when the pressure reached 144.5 GPa as evidenced by the electrical transport measurements, despite the huge resistivity decreasing seven orders of magnitude compared with that at ambient pressure. The investigation carried out here demonstrates high flexibility of double perovskites and their good potentials for optimizing the functionality of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Counter Data Paucity through Adversarial Invariance Encoding: A Case Study on Modeling Battery Thermal Runaway

Lithium-ion batteries, widely used for their durability and high energy storage, face the risk of internal short circuits leading to catastrophic thermal runaway events. These events, triggered by external stimuli like mechanical loads, pose safety concerns in applications such as electric vehicles. Detecting and understanding thermal runaway events is crucial, but physics-driven models struggle to explain the non-linear evolution of battery temperature during these events, considering factors like material composition and state-of-charge. Due to the rarity of these events and the cost of data collection, we propose a deep learning (DL) model to predict battery temperature responses during thermal runaway. The challenge lies in the scarcity of data, making traditional DL models prone to overfitting and learning low-quality representations of the complex process.Our approach introduces a novel few-shot architecture that incorporates an adversarially governed invariant encoding process. This architecture aims to distill "invariant" relationships by addressing distributional shifts in data across various battery properties, facilitating the detection of thermal runaway events. Specifically, our results demonstrate that deep learning models conditioned on these "invariant" representations outperform state-of-the-art baselines, achieving a remarkable 96.8% performance improvement in terms of the popular metric MAPE. This framework presents a promising direction for enhancing battery safety modeling, particularly in the context of rare and complex events like thermal runaway. Our code and code and dataset used for the paper are public1.

Tabassum, Anika [ORNL] (ORCID:0000000254600955)↗

DOE OSTI2019

Modeling Sulfur Poisoning of Palladium Membranes Used for Hydrogen Separation

Hydrocarbons are the most important source for hydrogen production. A combined reaction-separation process using inorganic membranes can significantly increase the reaction conversion by shifting the equilibrium toward product formation. Sulfur poisoning is a significant problem as it deactivates the most commonly used metallic membranes. The relationship of the membrane activity and surface coverage with the surface structure has been recognized in the literature. A theoretical model to simulate hydrogen transport in the presence of sulfur compounds is presented. This model accounts for active site deactivation and permanent structural damage to the membrane. Transport and reaction rate parameters used in the model have been estimated from experimental data. Qualitatively, the model represents well the behavior of inorganic membranes, including partial membrane activity regeneration after the sulfur source is removed.

08 HYDROGEN↗

DOE OSTI2019

Stable Perovskite Core-Shell Nanocrystals as Down-Converting Phosphors for Solid State Lighting

Colloidal perovskite quantum dots (QDs) or nanocrystals (NCs) with structure of CsPbX 3 (X = Cl, Br, I) are promising materials as down-converting phosphors due to their high quantum yield up to >90%, extremely narrow emission band ~15-30 nm, and tunable emission wavelengths of ~410-700 nm via size or composition control. Compared to other QD materials, the optical and electronic properties of perovskite NCs are much more tolerant to defects so highly efficient light-emitting NCs can be easily prepared without carefully removing surface defects. Also, precision size control is not required for obtaining perovskite NCs with narrow emission <30 nm and can greatly enhance the reproducibility and yield rate during mass production. The challenges in using perovskite NCs as LED phosphors are their hygroscopic nature and self-absorption as observed from other QDs. We propose to synthesize core-shell structure perovskite NCs to improve their stability by over-coating a SiO 2 layer, followed by further sol-gel processing into stable micro-sized glass beads. To increase Stokes shift and avoid self-absorption, core/graded-shell/shell structure such as CsSnBr 3 /CsSn 1-x Pb x Br 3 /CsPbBr 3 NCs will be prepared, similar to a concept we demonstrated before in CdSe/Cd 1-x ZnxSe 1-y S y /ZnS structure with significantly separated absorption and emission bands. These NC materials will be integrated into films and used as remote or on-chip downconverters for high efficiency, high CRI and warm white LED. To achieve this goal, PhosphorTech Corporation (PTC) has teamed with Georgia Tech (GT) to develop this unique perovskite system for pcLEDs that offers the promise of high luminous efficacy over a broad temperature and optical flux range.

36 MATERIALS SCIENCE↗

DOE OSTI2017

On the Origin of the Bi-drifting Subpulse Phenomenon in Pulsars

The unique and highly unusual drift feature reported for PSR J0815+0939, wherein one component’s subpulses drift in the direction opposite of the general trend, is a veritable challenge to pulsar theory. In this paper, we observationally quantify the drift direction throughout its profile, and find that the second component is the only one that exhibits “bi-drifting,” meaning that only the second component moves in the direction opposite of the others. We present a model that shows that the observed bi-drifting phenomenon follows from the insight that the discharging regions, i.e., sparks, do not rotate around the magnetic axis per se, but rather around the point of maximum potential at the polar cap. We show that a purely dipolar surface magnetic field cannot exhibit bi-drifting behavior. though certain non-dipolar configurations can. We can distinguish two types of solutions, with relatively low (∼10{sup 12} G) and high (∼10{sup 14} G) surface magnetic fields. Depending on the strength of the surface magnetic field, the radius of the curvature of magnetic field lines ranges from 10{sup 5} to 10{sup 7} cm. Pulsar J0815+0939 allows us to gain an understanding of the polar-cap conditions essential for plasma generation processes in the inner acceleration region, by linking the observed subpulse shift to the underlying spark motion.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1989

Distributed ice accretion sensor for smart aircraft structures

A distributed ice accretion sensor is presented, based on the concept of smart structures. Ice accretion is determined using spectral techniques to process signals from piezoelectric sensors integral to the airfoil skin. Frequency shifts in the leading edge structural skin modes are correlated to ice thickness. It is suggested that this method may be used to detect ice over large areas with minimal hardware. Results are presented from preliminary tests to measure simulated ice growth.

Gerardi, J. J.↗

NASA NTRS1990

Effects of plasma mass flow on Alfven wave phase mixing in coronal loops

Ground-based and space observations suggest that flow phenomena are intrinsic to the solar corona loops. The present analysis addresses flow effects on Alfven wave behavior in coronal loops. The effect of flow on the shear Alfven wave continuum and the associated damping process resulting from phase-mixing is investigated. Flow Doppler-shifts the Alfven wave continuum, thus displacing the range of frequencies for optimum heating. The present study explores Alfven resonance effects on surface waves propagating along coronal loops that are under the influence of flow. Coupling to the Alfven resonance leads to damping of the surface waves. The damping rate in the presence of sub-Alfvenic flows is computed. Flow increases the damping rate of certain modes, thus enhancing the heating effectiveness of those modes. Therefore, these calculations suggest that flow is potentially an important ingredient for an accurate evaluation of heating the solar corona by dissipation of Alfven waves via phase-mixing.

Peredo, M.↗

NASA NTRS1995

SSME Post Test Diagnostic System: Systems Section

An assessment of engine and component health is routinely made after each test firing or flight firing of a Space Shuttle Main Engine (SSME). Currently, this health assessment is done by teams of engineers who manually review sensor data, performance data, and engine and component operating histories. Based on review of information from these various sources, an evaluation is made as to the health of each component of the SSME and the preparedness of the engine for another test or flight. The objective of this project - the SSME Post Test Diagnostic System (PTDS) - is to develop a computer program which automates the analysis of test data from the SSME in order to detect and diagnose anomalies. This report primarily covers work on the Systems Section of the PTDS, which automates the analyses performed by the systems/performance group at the Propulsion Branch of NASA Marshall Space Flight Center (MSFC). This group is responsible for assessing the overall health and performance of the engine, and detecting and diagnosing anomalies which involve multiple components (other groups are responsible for analyzing the behavior of specific components). The PTDS utilizes several advanced software technologies to perform its analyses. Raw test data is analyzed using signal processing routines which detect features in the data, such as spikes, shifts, peaks, and drifts. Component analyses are performed by expert systems, which use 'rules-of-thumb' obtained from interviews with the MSFC data analysts to detect and diagnose anomalies. The systems analysis is performed using case-based reasoning. Results of all analyses are stored in a relational database and displayed via an X-window-based graphical user interface which provides ranked lists of anomalies and observations by engine component, along with supporting data plots for each.

Bickmore, Timothy↗

NASA NTRS1998

Oxygen Impurities and Defects in Epitaxial Layer SiC and SiC Wafer Characterized by Room and Low Temperatures FTIR

SiC as a highly promising semiconducting material has received increasing attention in the last decade. The impurities such as oxygen and hydrogen have a great effect in electronic properties of semiconducting materials. In this study, the FTIR spectra were measured at room temperature (25 C) and low temperature (-70 C) for an n-type SiC substrate, a p-type epitaxial layer SiC, and patterned Ta on a p-type epitaxial layer SiC sample. The oxygen related IR peaks were measured for all three samples at room and low temperatures. The peak at 1105 cm(exp -1) is the result of a substitutional carbon and a interstitial oxygen in SiC. The concentration of the impurity oxygen increases in the SiC epitaxial layer during the CVD and electron beam processes. For the n-type SiC substrate, this peak does not appear. The peak at 905 cm(exp -1) exists in the IR spectra only for two epitaxial layer on p-type SiC substrate samples. This peak is related to oxygen vacancy centers in SiC, which are introduced in the CVD epitaxial growth process. At low temperature, the peak at 1105 cm(exp -1) shifts down and the peak at 905 cm(exp -1) shifts up for the epitaxial layer SiC samples. It can be explained that, at low temperatures, the stress increases due to the distorted bonds. The study shows that FTIR is a very effective method to evaluate low concentration impurities in SiC.

Lu, W. J.↗

NASA NTRS2001

Latitudinal Transport of Angular Momentum by Cellular Flows Observed with MDI

We have analyzed Doppler velocity images from the MDI instrument on SOHO to determine the latitudinal transport of angular momentum by the cellular photospheric flows. Doppler velocity images from 60-days in May to July of 1996 were processed to remove the p-mode oscillations, the convective blue shift, the axisymmetric flows, and any instrumental artifacts. The remaining cellular flows were examined for evidence of latitudinal angular momentum transport. Small cells show no evidence of any such transport. Cells the size of supergranules (30,000 km in diameter) show strong evidence for a poleward transport of angular momentum. This would be expected if supergranules are influenced by the Coriolis force, and if the cells are elongated in an east-west direction. We find good evidence for just such an east-west elongation of the supergranules. This elongation may be the result of differential rotation shearing the cellular structures. Data simulations of this effect support the conclusion that elongated supergranules transport angular momentum from the equator toward the poles, Cells somewhat larger than supergranules do not show evidence for this poleward transport. Further analysis of the data is planned to determine if the direction of angular momentum transport reverses for even larger cellular structures. The Sun's rapidly rotating equator must be maintained by such transport somewhere within the convection zone.

Hathaway, David H.↗

NASA NTRS2000

IR spectroscopic characteristics of cell cycle and cell death probed by synchrotron radiation based Fourier transform IR spectromicroscopy

Synchrotron radiation based Fourier transform IR (SR-FTIR) spectromicroscopy allows the study of individual living cells with a high signal to noise ratio. Here we report the use of the SR-FTIR technique to investigate changes in IR spectral features from individual human lung fibroblast (IMR-90) cells in vitro at different points in their cell cycle. Clear changes are observed in the spectral regions corresponding to proteins, DNA, and RNA as a cell changes from the G(1)-phase to the S-phase and finally into mitosis. These spectral changes include markers for the changing secondary structure of proteins in the cell, as well as variations in DNA/RNA content and packing as the cell cycle progresses. We also observe spectral features that indicate that occasional cells are undergoing various steps in the process of cell death. The dying or dead cell has a shift in the protein amide I and II bands corresponding to changing protein morphologies, and a significant increase in the intensity of an ester carbonyl C===O peak at 1743 cm(-1) is observed. Copyright John Wiley & Sons, Inc. Biopolymers (Biospectroscopy) 57: 329-335, 2000.

Non-NASA Center↗

NASA NTRS2007

NASA'S Simulant Development Program Evolution and Overview

Since its origination under NASA's previous Human System Research and Technology program, the Lunar Simulant Development Program has undergone several changes. NASA recognized as early as the Apollo Program, and even more so as a result of the Apollo missions, that a viable dust and lunar simulant program is critical to the success of its space exploration goals. Unfortunately, this program has suffered the same problems that all programs share from time to time including uncertain budgets, shifting of priorities, and schedule fluctuations. To compound the problem, the process for developing simulants is being redefined and is not a trivial pursuit. Before now, NASA had not attempted to develop a suitable standard simulant since the 1990s when JSC-1 was produced. Although several other simulants have been developed by various groups both before and after the production of JSC-1, JSC-1 had become the de facto standard even though it has some limitations. The development and production of new simulants will address some of these limitations by starting with an assessment of NASA's needs and understanding the required processing in order to make these simulants.

McLemore, Carole↗