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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 271 records · Page 15

Finding the perfect imperfection: Accelerated, computationally driven discovery and design of quantum defects

Optically addressable spin defects have emerged as the leading platforms for quantum sensing and communication in solid-state systems. While traditional efforts have concentrated on a focused set of well-studied defects, recent advances in high-throughput computational methods have shown promise for large-scale exploration of defects across diverse semiconductor hosts. By cataloging key properties of quantum defects in computational databases, high-throughput screening techniques can systematically suggest and design novel candidates. In this article, we highlight recent advances in data-driven quantum defect design aimed at addressing critical materials science challenges such as host materials selection, defect stability, and desirable electronic and optical properties. Here, we emphasize the importance of electronic-structure-guided searches across various materials and illustrate how high-throughput computations contribute to our understanding of design principles for quantum defects. Additionally, we outline ongoing challenges and emerging opportunities in this rapidly developing field.

Xiong, Yihuang [Dartmouth College, Hanover, NH (Un↗

Consequence Management Cobalt Magnet 2022 Laboratory Analysis: After Action Report

On May 16-20, 2022, federal mission partners (e.g., DOE Consequence Management, CDC, FDA, FBI, DHS) as well as integrated state, local, tribal, and territorial governments took part in Cobalt Magnet 22 (CM22), a large-scale, week-long radiological incident exercise in Austin, Texas, that linked several important national assets (National Search Program, Radiological Assistance Program, and Consequence Management [CM] personnel) into a single response effort. The exercise had nine (9) overarching Objectives and an additional 162 associated Critical Tasks for all the participating organizations. In total, 13 National Core Capabilities spanning 5 Mission Areas were represented in the final exercise. This exercise enabled a full range of capabilities to be fielded together and examine the operational connection between major assets, discover any resource shortages associated with conducting multiple mission areas simultaneously or in close succession, and identify any challenges related to leadership. This report summarizes nearly 100 successes and observations provided from players and controllers supporting the LA Division, Fly Away Laboratory (FAL) and Gamma Spectroscopist operations. The observations were categorized to align with the FRMAC programmatic functional areas to consider for future improvements: Logistics, CBRN Responder, Laboratory Analysis, Sampling and Monitoring, Health and Safety, Gamma Spectroscopist Operations, Fly Away Laboratory, and the FRMAC Interdivision Interoperability Group (FIIG).

54 ENVIRONMENTAL SCIENCES↗

Preservation of Reduced Carbon on Mars: Implications for Understanding Habitability

Upcoming Mars missions (e.g., Mars Science Laboratory, ExoMars, Astrobiology Field Laboratory, and Mars Sample Return) will search for evidence of extant and fossil microbial habitats and the potential for future habitation. Understanding the distribution and composition of reduced carbon (or organic carbon) is critical for unraveling the Martian carbon cycle, potential for life, and possible biosignature record. Reduced carbon may be produced from biological, geochemical, or interstellar processes; however, evidence for reduced carbon on Mars is lacking with the exception of parts per billion of atmospheric methane. In contrast, abundant atmospheric carbon dioxide may reflect surface oxidation of reduced carbon and accumulation over geological timescales. This suggests that there is an undetected or lost pool of reduced carbon - a pool that may host molecular biosignatures, a characteristic of extant or extinct habitability. In this presentation, we will evaluate factors influencing the preservation potential for organic molecules in rocks on Earth and Martian. We,draw examples from organic molecules in sulfates, basalts, and ancient shales from Mars-analog settings to show how the distribution of organics and their structural patterns will aid Mars habitability studies.

Conrad, Pamela↗

The Far Ultraviolet M-dwarf Evolution Survey. I. The Rotational Evolution of High-energy Emissions

M-dwarf stars are prime targets for exoplanet searches because of their close proximity and favorable properties for both planet detection and characterization. However, the potential habitability and atmospheric characterization of these exoplanetary systems depends critically on the history of high-energy stellar radiation from X-rays to NUV, which drive atmospheric mass loss and photochemistry in the planetary atmospheres. With the Far Ultraviolet M-dwarf Evolution Survey, we have assessed the evolution of the FUV radiation, specifically eight prominent emission lines, including Lyα, of M-dwarf stars with stellar rotation period and age. We demonstrate tight power-law correlations between the spectroscopic FUV features, and measure the intrinsic scatter of the quiescent FUV emissions. The luminosity evolution with rotation of these spectroscopic features is well-described by a broken power law, saturated for fast rotators, and decays with increasing Rossby number, with a typical power-law slope of −2, although likely shallower for Lyα. Our regression fits enable FUV emission-line luminosity estimates relative to bolometric from known rotation periods to within ∼0.3 dex, across eight distinct UV emission lines, with possible trends in the fit parameters as a function of source layer in the stellar atmosphere. Our detailed analysis of the UV luminosity evolution with age further shows that habitable-zone planets orbiting lower-mass stars experience much greater high-energy radiative exposure relative the same planets orbiting more massive hosts. Around early- to mid-M dwarfs, these exoplanets, at field ages, accumulate up to 10–20× more EUV energy, relative to modern Earth. Moreover, the bulk of this UV exposure likely takes place within the first Gyr of the stellar lifetime.

J Sebastian Pineda↗

Impact of Emerging Computing Architectures and Opportunities for Process Systems Engineering Applications

Moore’s “law” was the observation that the number of transistors in an integrated circuit doubled approximately every two years. This trend has distinctly failed to hold in recent years. The death of Moore’s law has left researchers and practitioners in the computational sciences searching for technologies to provide the speedups formerly supported by Moore’s law. Previously overlooked chip architectures and other computing technologies are now receiving more development resources. Critically, these technologies are gaining more mature software support, opening their adoption by researchers in algorithms and applications. In this article, we review some of these computing technologies, their relationship with various algorithms and applications, and their potential benefits (or pitfalls). We close with recommendations for future work by the process systems engineering community specifically.

Emerging hardware↗

pyQuARC: Preparing for Full Release

Metadata holds the contextual information about data and is the underlying structure for many data search portals. High quality metadata optimizes search results, allowing users to quickly retrieve the data they need. With the abundant volume and diversity of Earth observation datasets, data discovery and metadata quality are critical for end users. The Common Metadata Repository (CMR), for example, currently hosts metadata for over 9,000 Earth observation data products archived across 12 NASA Distributed Active Archive Centers (DAACs). The Analysis and Review of CMR (ARC) Team, located at Marshall Space Flight Center, assesses the completeness, correctness, and consistency of these metadata records to ensure they are accessible, usable, and discoverable. In 2021, ARC began developing pyQuARC, an open source library for Earth Observation Metadata Quality Assessment to automate this effort. The tool uses ARC’s existing metadata quality framework to provide prioritized recommendations for metadata improvement. During initial testing, pyQuARC automatically identified 58% of metadata findings when compared with a sample of manually reviewed records. Using the results from initial testing, this presentation will focus on recent advancements and improvements of the tool as the ARC team prepares for pyQuARC’s full release. It will also demonstrate pyQuARC's enrichment value, not only for the ARC team, but the broader EOSDIS metadata community as well.

Essence Raphael↗

The updated DESGW processing pipeline for the third LIGO/VIRGO observing run

The DESGW group seeks to identify electromagnetic counterpartsof gravitational wave events seen by the LIGO-VIRGO network, such as thoseexpected from binary neutron star mergers or neutron star- black hole mergers.DESGW was active throughout the first two LIGO observing seasons, followingup several binary black hole mergers and the first binary neutron star merger,GW170817. We describe the modifications to the observing strategy generationand image processing pipeline between the second (ending in August 2017)and third (beginning in April 2019) LIGO observing seasons. The modifica-tions include a more robust observing strategy generator, further parallelizationof the image reduction software and dierence imaging processing pipeline,data transfer streamlining, and a web page listing identified counterpart candi-dates that updates in real time. Taken together, the additional parallelizationsteps enable us to identify potential electromagnetic counterparts within fullycalibrated search images in less than one hour, compared to the 3-5 hours itwould typically take during the first two seasons. These performance improve-ments are critical to the entire EM followup community, as rapid identification(or rejection) of candidates enables detailed spectroscopic followup by multipleinstruments as soon as possible, leading to more information about the environ-ment immediately following such gravitational wave events.

Herner, Kenneth R.↗

CMB-S4 Decadal Survey APC White Paper

CMB-S4 is envisioned to be the ultimate ground-based cosmic microwave background experiment, crossing critical thresholds in our understanding of the origin and evolution of the Universe, from the highest energies at the dawn of time through the growth of structure to the present day. The CMB-S4 science case is spectacular: the search for primordial gravitational waves as predicted from inflation and the imprint of relic particles including neutrinos, unique insights into dark energy and tests of gravity on large scales, elucidating the role of baryonic feedback on galaxy formation and evolution, opening up a window on the transient Universe at millimeter wavelengths, and even the exploration of the outer Solar System. The CMB-S4 sensitivity to primordial gravitational waves will probe physics at the highest energy scales and cross a major theoretically motivated threshold in constraints on inflation. The CMB-S4 search for new light relic particles will shed light on the early Universe 10,000 times farther back than current experiments can reach. Finally, the CMB-S4 Legacy Survey covering 70% of the sky with unprecedented sensitivity and angular resolution from centimeter- to millimeter-wave observing bands will have a profound and lasting impact on Astronomy and Astrophysics and provide a powerful complement to surveys at other wavelengths, such as LSST and WFIRST, and others yet to be imagined. We emphasize that these critical thresholds cannot be reached without the level of community and agency investment and commitment required by CMB-S4. In particular, the CMB-S4 science goals are out of the reach of any projected precursor experiment by a significant margin.

Abazajian, Kevork↗

Hydraulic safety and growth rather than climate of origin influence survival in desert shrubs and trees

The species-poor woodlands and forests in arid regions are particularly vulnerable to climate change induced plant die-off. Searching for species suitable to replant in these areas is an effective way to prevent further expansion of land desertification. Good knowledge of drought resistance of species is critical for current replanting efforts, however, the related plant survival mechanisms in the process of restoration remain limited. Here, we tested the dominant drivers of plant survival in relation to climate factors, growth characteristics and functional traits including hydraulics and gas exchange across 35 multiple shrub and tree woody species in a common garden at the Tengger Desert, northwest China. We found the desert plants had a wide range of hydraulic thresholds among these desert species, with relative high hydraulic safety, and low xylem hydraulic conductivity. Pant survival was largely determined by hydraulic safety and growth status, but was not affected by the climate of the species’ site of origin. Shrubs and trees diverged in hydraulic and growth characteristics, while there was no difference between native and introduced species. In this study, our results highlight the critical roles of hydraulic safety and growth on determining the survival and drought adaptation during desert vegetation development, which provide a new insight into ecological restoration in arid regions under changing climate conditions.

54 ENVIRONMENTAL SCIENCES↗

Interactive Computer Graphics

Aerospace data analysis tools that significantly reduce the time and effort needed to analyze large-scale computational fluid dynamics simulations have emerged this year. The current approach for most postprocessing and visualization work is to explore the 3D flow simulations with one of a dozen or so interactive tools. While effective for analyzing small data sets, this approach becomes extremely time consuming when working with data sets larger than one gigabyte. An active area of research this year has been the development of data mining tools that automatically search through gigabyte data sets and extract the salient features with little or no human intervention. With these so-called feature extraction tools, engineers are spared the tedious task of manually exploring huge amounts of data to find the important flow phenomena. The software tools identify features such as vortex cores, shocks, separation and attachment lines, recirculation bubbles, and boundary layers. Some of these features can be extracted in a few seconds; others take minutes to hours on extremely large data sets. The analysis can be performed off-line in a batch process, either during or following the supercomputer simulations. These computations have to be performed only once, because the feature extraction programs search the entire data set and find every occurrence of the phenomena being sought. Because the important questions about the data are being answered automatically, interactivity is less critical than it is with traditional approaches.

Kenwright, David↗

MAS-CCD: New technique for measuring low-level charge content based on the multiple amplifier architecture

Low-noise detectors are a key technology for the next generation of astronomical instruments aimed at spectroscopy of faint objects and the search for exoplanets. In this context, the multiple-amplifier sensing charge-coupled device (MAS-CCD) emerges as a promising technology for future scientific instruments. A critical parameter affecting the performance of these devices is spurious charge, produced by the clocking of the gates. Its measurement is typically challenging with existing methods. In practice, the optimization of this parameter often relies on empirical procedures that require significant time and careful consideration of the trade-off with full-well capacity. In this work, we present a new technique to estimate spurious charge based on covariance analysis of the output amplifiers of the MAS-CCD, which measures the same charge packet in different amplifiers at different times. The method enables fast and precise measurements of spurious charge under operating conditions where conventional approaches are difficult to apply. We develop the theoretical framework of the method and validate the model through simulations. The results demonstrate the feasibility of this approach and suggest that it could serve as a basis for reliable large-scale characterization of sensor performance.

Gamero, Miqueas E. [Buenos Aires, CONICET; Fermila↗

Feature Learning for Multispectral Satellite Imagery Classification Using Neural Architecture Search

Automated classification of remote sensing data is an integral tool for earth scientists, and deep learning has proven very successful at solving such problems. However, building deep learning models to process the data requires expert knowledge of machine learning. We introduce DELTA, a software toolkit to bridge this technical gap and make deep learning easily accessible to earth scientists. Visual feature engineering is a critical part of the machine learning lifecycle, and hence is a key area that will be automated by DELTA. Hand-engineered features can perform well, but require a cross functional team with expertise in both machine learning and the specific problem domain, which is costly in both researcher time and labor. The problem is more acute with multispectral satellite imagery, which requires considerable computational resources to process. In order to automate the feature learning process, a neural architecture search samples the space of asymmetric and symmetric autoencoders using evolutionary algorithms. Since denoising autoencoders have been shown to perform well for feature learning, the autoencoders are trained on various levels of noise and the features generated by the best performing autoencoders evaluated according to their performance on image classification tasks. The resulting features are demonstrated to be effective for Landsat-8 flood mapping, as well as benchmark datasets CIFAR10 and SVHN.

Robert Campbell↗

XploreNAS : Explore Adversarially Robust and Hardware-efficient Neural Architectures for Non-ideal Xbars

Compute In-Memory platforms such as memristive crossbars are gaining focus as they facilitate acceleration of Deep Neural Networks (DNNs) with high area and compute efficiencies. However, the intrinsic non-idealities associated with the analog nature of computing in crossbars limits the performance of the deployed DNNs. Furthermore, DNNs are shown to be vulnerable to adversarial attacks leading to severe security threats in their large-scale deployment. Thus, finding adversarially robust DNN architectures for non-ideal crossbars is critical to the safe and secure deployment of DNNs on the edge. This work proposes a two-phase algorithm-hardware co-optimization approach called XploreNAS that searches for hardware efficient and adversarially robust neural architectures for non-ideal crossbar platforms. We use the one-shot Neural Architecture Search approach to train a large Supernet with crossbar-awareness and sample adversarially robust Subnets therefrom, maintaining competitive hardware efficiency. Our experiments on crossbars with benchmark datasets (SVHN, CIFAR10, CIFAR100) show up to ~8–16% improvement in the adversarial robustness of the searched Subnets against a baseline ResNet-18 model subjected to crossbar-aware adversarial training. We benchmark our robust Subnets for Energy-Delay-Area-Products (EDAPs) using the Neurosim tool and find that with additional hardware efficiency–driven optimizations, the Subnets attain ~1.5–1.6× lower EDAPs than ResNet-18 baseline.

97 MATHEMATICS AND COMPUTING↗

Exchange, interpretation, and database-search of ion mobility spectra supported by data format JCAMP-DX

To assist peak assignment in ion mobility spectrometry it is important to have quality reference data. The reference collection should be stored in a database system which is capable of being searched using spectral or substance information. We propose to build such a database customized for ion mobility spectra. To start off with it is important to quickly reach a critical mass of data in the collection. We wish to obtain as many spectra combined with their IMS parameters as possible. Spectra suppliers will be rewarded for their participation with access to the database. To make the data exchange between users and system administration possible, it is important to define a file format specially made for the requirements of ion mobility spectra. The format should be computer readable and flexible enough for extensive comments to be included. In this document we propose a data exchange format, and we would like you to give comments on it. For the international data exchange it is important, to have a standard data exchange format. We propose to base the definition of this format on the JCAMP-DX protocol, which was developed for the exchange of infrared spectra. This standard made by the Joint Committee on Atomic and Molecular Physical Data is of a flexible design. The aim of this paper is to adopt JCAMP-DX to the special requirements of ion mobility spectra.

Baumback, J. I.↗

On the search for extant life on Mars

Proposals for continuing the search for extant life on Mars are primarily predicated on the assumption that specialized environmental niches that could support a biota may exist on the planet. Before attempting any critical tests for extant organisms, either in situ or on returned samples, it is imperative to determine whether any such sites actually exist. If, through remote sensing and landed instrumentation, sites of potential biological interest are discovered and characterized, biological tests can then more effectively be planned to elicit the presence of organisms that are adapted to living in these particular environments.

NASA Discipline Exobiology↗

Investigating Influential Parameters for High-Purity Germanium Crystal Growth

This paper focuses on the research and development of high-purity germanium (HPGe) crystals for detector fabrication, specifically targeting applications in rare-event physics searches. The primary objective was to produce large-scale germanium crystals weighing >1 kg with a controlled diameter of ∼10 cm and an impurity range of approximately 1010/cm 3. Ensuring structural integrity and excellent crystalline quality requires a thorough assessment of dislocation density, a critical aspect of the crystal development process. Dislocation density measurements play a crucial role in maximizing the sensitivity of HPGe detectors, and our findings confirmed that the dislocation density fell within acceptable ranges for detector fabrication. Additionally, this paper examines the segregation coefficient of various contaminants during the crystal development process. Comprehensive analysis of impurity segregation is essential for reducing contaminant quantities in the crystal lattice and customizing purification processes. This, in turn, minimizes undesired background noise, enhancing signal-to-noise ratios for rare-event physics searches and overall detector performance. The investigation included the segregation coefficients of three major acceptors and one donor in crystals grown at the University of South Dakota, providing valuable insights for optimizing crystal purity and detector efficiency.

Bhattarai, Sanjay↗

Superconductivity above 200 K discovered in superhydrides of calcium

Searching for superconductivity with T c near room temperature is of great interest both for fundamental science & many potential applications. Here we report the experimental discovery of superconductivity with maximum critical temperature (T c ) above 210 K in calcium superhydrides, the new alkali earth hydrides experimentally showing superconductivity above 200 K in addition to sulfur hydride & rare-earth hydride system. The materials are synthesized at the synergetic conditions of 160~190 GPa and ~2000 K using diamond anvil cell combined with in-situ laser heating technique. The superconductivity was studied through in-situ high pressure electric conductance measurements in an applied magnetic field for the sample quenched from high temperature while maintained at high pressures. The upper critical field Hc(0) was estimated to be ~268 T while the GL coherent length is ~11 Å. The in-situ synchrotron X-ray diffraction measurements suggest that the synthesized calcium hydrides are primarily composed of CaH 6 while there may also exist other calcium hydrides with different hydrogen contents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Generalized design principles for hydrodynamic electron transport in anisotropic metals

Interactions of charge carriers with lattice vibrations, or phonons, play a critical role in unconventional electronic transport of metals and semimetals. Recent observations of phonon-mediated collective electron flow in bulk semimetals, termed electron hydrodynamics, present new opportunities in the search for strong electron-electron interactions in high carrier density materials. Here we present the general transport signatures of such a second-order scattering mechanism, along with analytical limits at the Eliashberg level of theory. We study electronic transport, using ab initio calculations, in finite-size channels of semimetallic ZrSiS and TaAs 2 with and without topological band crossings, respectively. The order of magnitude separation between momentum-relaxing and momentum-conserving scattering length scales across a wide temperature range make both of them promising candidates for further experimental observation of electron hydrodynamics. More generally, our calculations suggest that the hydrodynamic transport regime does not, to first order, rely on the topological nature of the bands. Finally, we discuss general design principles guiding future search for hydrodynamic candidates, based on the analytical formulation and our ab initio predictions. Further, we find that systems with strong electron-phonon interactions, reduced electronic phase space, and suppressed phonon-phonon scattering at temperatures of interest are likely to feature hydrodynamic electron transport. We predict that layered and/or anisotropic semimetals composed of half-filled d shells and light group V/VI elements with lower crystal symmetry are promising candidates to observe hydrodynamic phenomena in the future.

36 MATERIALS SCIENCE↗