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DOE OSTI2015

Slow relaxation of cascade-induced defects in Fe

On-the-fly kinetic Monte Carlo (KMC) simulations are performed to investigate slow relaxation of non-equilibrium systems. Point defects induced by 25 keV cascades in α -Fe are shown to lead to a characteristic time-evolution, described by the replenish and relax mechanism. Then, we produce an atomistically-based assessment of models proposed to explain the slow structural relaxation by focusing on the aggregation of 50 vacancies and 25 self-interstital atoms (SIA) in 10-lattice-parameter α-Fe boxes, two processes that are closely related to cascade annealing and exhibit similar time signature. Four atomistic effects explain the timescales involved in the evolution: defect concentration heterogeneities, concentration-enhanced mobility, cluster-size dependent bond energies and defect-induced pressure. In conclusion, these findings suggest that the two main classes of models to explain slow structural relaxation, the Eyring model and the Gibbs model, both play a role to limit the rate of relaxation of these simple point-defect systems.

36 MATERIALS SCIENCE↗

NASA NTRS2012

The Search for Life on Mars

For centuries, the planet Mars has been regarded as a possible abode for life. Serious searches for the signatures of life began in the 19th century, and continue via telescopic investigations and landed missions. While early work focused on phenomenology and bordered on fantasy, modern scientific inquiry has emphasized the search for chemical signatures of life in the soil and rocks at the planet's surface, and the search for biomarker gases in the atmosphere. Living systems produce more than 90% of Earth's atmospheric methane; the balance is of geochemical origin. The discovery of methane on Mars will be described, along with the ongoing extended search for clues to its origins. The possible origins of Mars methane will be discussed in the context of terrestrial analogue sites where geologic and biologic methane production now occurs - ranging from sub-permafrost zones in the arctic to hydrothermal vents in the deep ocean. Terrestrial organisms that could prosper on Mars today will be mentioned. I will briefly touch upon experiments conducted by landed spacecraft, ranging from the Viking Life Science Experiments in 1976 to the impending Mars Science laboratory, and the Trace Gas Orbiter and ExoMars missions now being developed for flight in the coming decade.

Mumma, Michael J.↗

NASA NTRS2016

Probing Acceleration and Turbulence at Relativistic Shocks in Blazar Jets

Diffusive shock acceleration (DSA) at relativistic shocks is widely thought to be an important acceleration mechanism in various astrophysical jet sources, including radio-loud active galactic nuclei such as blazars. Such acceleration can produce the non-thermal particles that emit the broad-band continuum radiation that is detected from extragalactic jets. An important recent development for blazar science is the ability of Fermi-Large Area Telescope spectroscopy to pin down the shape of the distribution of the underlying non-thermal particle population. This paper highlights how multiwavelength spectra spanning optical to X-ray to gamma-ray bands can be used to probe diffusive acceleration in relativistic, oblique, magnetohydrodynamic (MHD) shocks in blazar jets. Diagnostics on the MHD turbulence near such shocks are obtained using thermal and non-thermal particle distributions resulting from detailed Monte Carlo simulations of DSA. These probes are afforded by the characteristic property that the synchrotron vF(sub v), peak energy does not appear in the gamma-ray band above 100 MeV. We investigate self-consistently the radiative synchrotron and inverse Compton signatures of the simulated particle distributions. Important constraints on the diffusive mean free paths of electrons, and the level of electromagnetic field turbulence are identified for three different case study blazars, Mrk 501, BL Lacertae and AO 0235+164. The X-ray excess of AO 0235+164 in a flare state can be modelled as the signature of bulk Compton scattering of external radiation fields, thereby tightly constraining the energy-dependence of the diffusion coefficient for electrons. The concomitant interpretations that turbulence levels decline with remoteness from jet shocks, and the probable significant role for non-gyroresonant diffusion, are posited.

Baring, Matthew G.↗

DOE OSTI2018

Developments of Highly Multiplexed, Multi-chroic Pixels for Balloon-Borne Platforms

We present our work to develop and characterize low thermal conductance bolometers that are part of sinuous antenna multi-chroic pixels (SAMP). We use longer, thinner and meandered bolometer legs to achieve 9 pW/K thermal conductance bolometers. We also discuss the development of inductor–capacitor chips operated at 4 K to extend the multiplexing factor of the frequency domain multiplexing to 105, an increase of 60% compared to the factor currently demonstrated for this readout system. This technology development is motivated by EBEX-IDS, a balloon-borne polarimeter designed to characterize the polarization of foregrounds and to detect the primordial gravity waves through their B-mode signature on the polarization of the cosmic microwave background. EBEX-IDS will operate 20,562 transition edge sensor bolometers spread over 7 frequency bands between 150 and 360 GHz. Balloon and satellite platforms enable observations at frequencies inaccessible from the ground and with higher instantaneous sensitivity. This development improves the readiness of the SAMP and frequency domain readout technologies for future satellite applications.

42 ENGINEERING↗

DOE OSTI2018

Time-dependent behavioral data from zebrafish reveals novel signatures of chemical toxicity using point of departure analysis

High-content imaging of embryonic zebrafish behavior can be used as a screening approach to rapidly evaluate the relative potential for chemicals to cause toxicity. However, most statistical methods applied to these data so far transform movement values to incidence-based “hits” and calculate lowest effect levels (LELs), which loses individual fish resolution of behavior and defies hazard ranking due to reliance on applied dose levels. Here, we have developed and parallelized a workflow to calculate benchmark dose (BMD) values from dynamic, high-content zebrafish behavior data that scales for high-throughput chemical screening. To appropriately capture the dynamics of zebrafish response from light to dark stimulus, we summarized time-dependent data using both area under the curve and immediate change at the transition point into two novel metrics that characterized abnormal behavior as a function of chemical concentration. The BMD workflow was applied to calculate BMD 10 values of 1,060 ToxCast chemicals for 24 zebrafish endpoints, including behavior, mortality and morphology. The BMD 10 values provided better precision and separation than LELs for clustering chemicals since they were derived from models that best-fit their concentration-response curves. Clustering analysis revealed behavioral signatures as the most sensitive endpoints. High concordance in chemical activity was observed between ToxCast assays and zebrafish behavioral endpoints, however ToxPi analysis indicated that rankings based on in vitro data was not a reliable predictor of in vivo rankings for lower potency chemicals. The methods developed in this work will enable the use of high-content zebrafish behavioral screening data for BMD analysis in toxicological hazard assessment.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Stimulated X-ray Raman and Absorption Spectroscopy of Iron–Sulfur Dimers

Iron–sulfur complexes play an important role in biological processes such as metabolic electron transport. A detailed understanding of the mechanism of long-range electron transfer requires knowledge of the electronic structure of the complexes, which has traditionally been challenging to obtain, either by theory or by experiment, but the situation has begun to change with advances in quantum chemical methods and intense free electron laser light sources. We compute the spectra for stimulated X-ray Raman spectroscopy (SXRS) and absorption spectroscopy of homovalent and mixed-valence [2Fe–2S] complexes, using the ab initio density matrix renormalization group algorithm. The simulated spectra show clear signatures of the theoretically predicted dense low-lying excited states within the d–d manifold. Finally, the difference in spectral intensity between the absorption-active and Raman-active states provides a potential mechanism to selectively excite states by a proper tuning of the excitation pump, to access the electronic dynamics within this manifold.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Imaging Atomic-Scale Clustering in III–V Semiconductor Alloys

Quaternary alloys are essential for the development of high-performance optoelectronic devices. However, immiscibility of the constituent elements can make these materials vulnerable to phase segregation, which degrades the optical and electrical properties of the solid. High-efficiency III–V photovoltaic cells are particularly sensitive to this degradation. InAlAsSb lattice matched to InP is a promising candidate material for high-bandgap subcells of a multijunction photovoltaic device. However, previous studies of this material have identified characteristic signatures of compositional variation, including anomalous low-energy photoluminescence. In this paper, atomic-scale clustering is observed in InAlAsSb via quantitative scanning transmission electron microscopy. Finally, image quantification of atomic column intensity ratios enables the comparison with simulated images, confirming the presence of nonrandom compositional variation in this multispecies alloy.

36 MATERIALS SCIENCE↗

DOE OSTI2023

An electron paramagnetic resonance study of the electron transport in heavily Si-doped high Al content AlxGa1−xN

High Al mole fraction AlGaN is an ultrawide bandgap semiconductor with potential applications in power electronics and deep UV detectors. Although n-type material is achievable with Si-doping, the role of Si is controversial, particularly for AlxGa1−xN with x > 0.8. For this paper, AlGaN films were grown by plasma-assisted molecular beam epitaxy onto bulk AlN substrates and doped with 1018–1020 cm−3 Si. We examine electron transport in heavily Si-doped AlxGa1−xN with x ≥ 0.65 using magnetic resonance, which allows us to probe the neutral donors directly rather than the free carriers and avoids complications due to electrical contacts. Transport was studied through the temperature-dependent linewidth of the electron paramagnetic resonance (EPR) signature for the neutral donor. Analysis shows evidence of hopping conductivity in the most lightly doped samples and impurity band formation in the most heavily doped ones. The EPR results, which are consistent with Hall measurements performed on the same samples, are promising for the development of highly conducting high Al content AlGaN.

Materials Science↗

DOE OSTI2023

Evolution of short-range magnetic correlations in ferromagnetic Ni-V alloys

Here we experimentally study how the magnetic correlations develop in a binary alloy close to the ferromagnetic quantum critical point with small-angle neutron scattering (SANS). Upon alloying the itinerant ferromagnet nickel with vanadium, the ferromagnetic order is continuously suppressed. The critical temperature T c vanishes when vanadium concentrations reach the critical value of x c =0.116 indicating a quantum critical point separating the ferromagnetic and paramagnetic phases. Earlier magnetization and μ⁢SR data have indicated the presence of magnetic inhomogeneities in Ni 1-x ⁢V x and, in particular, recognize the magnetic clusters close to x c , on the paramagnetic and on the ferromagnetic sides with nontrivial dynamical properties [R. Wang et al., Phys. Rev. Lett. 118, 267202 (2017)]. We present the results of SANS study with full polarization analysis of polycrystalline Ni 1-x⁢ V x samples with x=0.10 and x=0.11 with low critical temperatures T c <50 K. For both Ni-V samples close to x c we find isotropic magnetic short-range correlations on the nanometer scale persisting at low temperatures. They are suppressed gradually in higher magnetic fields. In addition, signatures of long-range ordered magnetic domains are present below T c . The fraction of these magnetic clusters embedded in the ferromagnetic ordered phase grows toward x c and agrees well with the cluster fraction estimate from the magnetization and μ⁢SR data. Our SANS studies provide new insights into the nature of the inhomogeneities in a ferromagnetic alloy close to a quantum critical point.

36 MATERIALS SCIENCE↗

DOE OSTI2024

The spatially resolved transcriptome signatures of glomeruli in chronic kidney disease

Here, we used digital spatial profiling (DSP) to describe the glomerular transcriptomic signatures that may characterize the complex molecular mechanisms underlying progressive kidney disease in Alport syndrome, focal segmental glomerulosclerosis, and membranous nephropathy. Our results revealed significant transcriptional heterogeneity among diseased glomeruli, and this analysis showed that histologically similar glomeruli manifested different transcriptional profiles. Using glomerular pathology scores to establish an axis of progression, we identified molecular pathways with progressively decreased expression in response to increasing pathology scores, including signal recognition particle–dependent cotranslational protein targeting to membrane and selenocysteine synthesis pathways. We also identified a distinct signature of upregulated and downregulated genes common to all the diseases investigated when compared with nondiseased tissue from nephrectomies. These analyses using DSP at the single-glomerulus level could help to increase insight into the pathophysiology of kidney disease and possibly the identification of biomarkers of disease progression in glomerulopathies.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2013

Addendum to the Corrective Action Decision Document/Closure Report for Corrective Action Unit 529: Area 25 Contaminated Materials, Nevada Test Site, Nevada (Rev. 1)

This document constitutes an addendum to the Corrective Action Decision Document/Closure Report for Corrective Action Unit 529: Area 25 Contaminated Materials, Nevada Test Site, Nevada as described in the document Recommendations and Justifications To Remove Use Restrictions Established under the U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office Federal Facility Agreement and Consent Order dated September 2013. The Use Restriction (UR) Removal document was approved by the Nevada Division of Environmental Protection on October 16, 2013. The approval of the UR Removal document constituted approval of each of the recommended UR removals. In conformance with the UR Removal document, this addendum consists of: This page that refers the reader to the UR Removal document for additional information The cover, title, and signature pages of the UR Removal document The NDEP approval letter The corresponding section of the UR Removal document This addendum provides the documentation justifying the cancellation of the UR for CAS 25-23-17, Contaminated Wash (Parcel H). This UR was established as part of FFACO corrective actions and was based on the presence of total petroleum hydrocarbon diesel-range organics contamination at concentrations greater than the NDEP action level at the time of the initial investigation.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1998

High Resolution Airborne Digital Imagery for Precision Agriculture

The Environmental Research Aircraft and Sensor Technology (ERAST) program is a NASA initiative that seeks to demonstrate the application of cost-effective aircraft and sensor technology to private commercial ventures. In 1997-98, a series of flight-demonstrations and image acquisition efforts were conducted over the Hawaiian Islands using a remotely-piloted solar- powered platform (Pathfinder) and a fixed-wing piloted aircraft (Navajo) equipped with a Kodak DCS450 CIR (color infrared) digital camera. As an ERAST Science Team Member, I defined a set of flight lines over the largest coffee plantation in Hawaii: the Kauai Coffee Company's 4,000 acre Koloa Estate. Past studies have demonstrated the applications of airborne digital imaging to agricultural management. Few studies have examined the usefulness of high resolution airborne multispectral imagery with 10 cm pixel sizes. The Kodak digital camera integrated with ERAST's Airborne Real Time Imaging System (ARTIS) which generated multiband CCD images consisting of 6 x 106 pixel elements. At the designated flight altitude of 1,000 feet over the coffee plantation, pixel size was 10 cm. The study involved the analysis of imagery acquired on 5 March 1998 for the detection of anomalous reflectance values and for the definition of spectral signatures as indicators of tree vigor and treatment effectiveness (e.g., drip irrigation; fertilizer application).

Herwitz, Stanley R.↗

DOE OSTI2020

Characterizing Ocean Acidification and Atmospheric Emission caused by Methane Released from Gas Hydrate Systems along the US Atlantic Margin (Final Report)

To assess the environmental impact of decomposing gas hydrates, this project characterized the atmospheric emission and ocean acidification associated with seafloor-released methane along the U.S. Atlantic Margin. This project leveraged the newly discovered seafloor seeps in this region, many of which are located near the landward limit of gas hydrate stability, to investigate the fate and environmental impact of methane once released from the seafloor. Several research directions were pursued during these investigations. First, high-spatial resolution surface surveys were conducted to characterize the degree to which sea-to-air emission of methane is correlated with acoustically detected seafloor bubble emissions. Second, the natural isotopic signatures of both radiocarbon and δ 13 C were measured throughout the water column to observe if seafloor-released methane was detected in surface waters or if it was replaced by a different source. Third, the extent of methane oxidation in the water column was constrained to assess the ability of this process to mitigate atmospheric methane emissions. Fourth, since aerobic methane oxidation ultimately converts methane to carbon dioxide, the extent of ocean acidification relating to this process was assessed. Ultimately, this project was conducted in four stages. Stage one involved preparations for the research expedition along the U.S. Atlantic Margin. This involved calibrating, modifying, and validating equipment needed for sample and data collection in this unique environment. Stage two involved executing the at-sea science. This research was conducted from 25 August to 5 September 2017 on the R/V Hugh R. Sharp. This expedition left from Lewes, Delaware and investigated the continental slope from approximately this latitude down to Cape Hatteras, North Carolina. Third, any samples unanalyzed on the research vessel were returned to the laboratory and measured. Fourth, the data were interpreted, and publications and presentations were prepared.

03 NATURAL GAS↗

NASA NTRS2004

Autonomous NanoTechnology Swarm (ANTS) Prospecting Asteroid Mission (PAM), Asteroid Proximity Operations

The Autonomous NanoTechnology Swarm (ANTS) is a generic mission architecture based on spatially distributed spacecraft, autonomous and redundant components, and hierarchical organization. The ANTS Prospecting Asteroid Mission (PAM) is an ANTS application which will nominally use a swarm of 1000 spacecraft. There would be 10 types of "specialists" with common spacecraft buses. There would be 10 subswarms of approximately 100 spacecraft each or approximately 10 of each specialist in each swarm. The ANTS PAM primary objective is the exploration of the asteroid belt in search of resources and material with astrobiologically relevant origins and signatures. The ANTS PAM spacecraft will nominally be released from a station in an Earth-Moon L1 libration point orbit, and they will use Solar sails for propulsion. The sail structure would be highly flexible, capable of changing morphology to change cross-section for capture of sunlight or to form effective "tip vanes" for attitude control. ANTS PAM sails would be capable of full to partial deployment, to change effective sail area and center of pressure, and thus allow attitude control. Results of analysis of a transfer trajectory from Earth to a sample target asteroid will be presented. ANTS PAM will require continuous coverage of different asteroid locations as close as one to two asteroid "diameters" from the surface of the asteroid for periods of science data collection during asteroid proximity operations. Hovering spacecraft could meet the science data collection objectives. The results of hovering analysis will be presented. There are locations for which hovering is not possible, for example on the illuminated side of the asteroid. For cases where hovering is not possible, the results of utilizing asteroid formations to orbit the asteroid and achieve the desired asteroid viewing will be presented for sample asteroids. The ability of ANTS PAM to reduce the area of the solar sail during asteroid proximity operations is critical to the maintenance of orbiting formations for a period of time. Results of analysis of potential "traffic" problems during asteroid proximity operations will be presented.

Marr, Greg↗

NASA NTRS2013

Possible Detection of Perchlorates by the Sample Analysis at Mars (SAM) Instrument: Comparison with Previous Missions

The first chemical analysis of soluble salts in the soil was carried out by the Phoenix Lander in the Martian Arctic [1]. Surprisingly, chlorine was present as magnesium or calcium perchlorate at 0.4 to 0.6 percent. Additional support for the identification of perchlorate came from the evolved gas analysis which detected the release of molecular oxygen at 350-550C [1]. When Mars-like soils from the Atacama Desert were spiked with magnesium perchlorate (1 percent) and heated using the Viking GC-MS protocol, nearly all the organics were combusted but a small amount was chlorinated, forming chloromethane and dichloromethane [2]. These chlorohydrocarbons were detected by the Viking GC-MS experiments when the Martian soil was analyzed but they were considered to be terrestrial contaminants [3]. Reinterpretation of the Viking results suggests <0.1 percent perchlorate and ppm levels of organic carbon at landing site 1 and 2 [2]. The suggestion of perchlorate in the Viking sites [2] has been challenged on the grounds that the detected compounds (CH3Cl and CH2Cl2) were carried from Earth [4]. Recently the Sample Analysis at Mars (SAM) instrument on board the Mars Science Laboratory (MSL) ran four samples from an aeolian bedform named Rocknest. The samples analyzed were portioned from the fifth scoop at this location. The samples were heated to 835C at 35C/min with a He flow. The SAM QMS detected a major oxygen release (300-500C) [5], coupled with the release of chlorinated hydrocarbons (chloromethane, dichloromethane, trichloromethane, and chloromethylpropene) detected both by SAM QMS and GC-MS derived from known Earth organic contaminants in the instrument [6]. Calcium perchlorate appears to be the best candidate for evolved O2 in the Rocknest samples at this time but other Cl species (e.g., chlorates) are possible and must be evaluated. The potential detection of perchlorates in Rocknest material adds weight to the argument that both Viking Landers measured signatures of perchlorates. Even if the source of the organic carbon detected is still unknown, the chlorine source was likely Martian. Two mechanisms have been hypothesized for the formation of soil perchlorate: (1) Atmospheric oxidation of chlorine; and (2) UV photooxidation of chlorides catalyzed by mineral catalysts [7]. The presence of soil perchlorates in the Martian surface has important implications for the detection of organics [2], carbonates [8] and nitrates [9] by SAM.

Navarro-Gonzalex, Rafael↗

NASA NTRSDate not supplied

Chasing Shadows in the Night: How NASA's Kepler and TESS Missions Are Revolutionizing Exoplanet Science

The first planet outside our own solar system was discovered almost thirty years ago in an extremely unlikely place, orbiting a pulsar, and the first exoplanet orbiting a Sun-like star was discovered nearly 26 years ago. In the time since, we’ve detected over 5000 planets and over 75% of these have been detected by transit surveys. The Kepler Mission, launched in 2009, has found the lion’s share of these exoplanets, and demonstrated that each star in the night sky has, on average, at least one planet. Kepler’s success spurred NASA and ESA to select several exoplanet-themed missions to move the field of exoplanet science forward from discovery to characterization: How do these planets form and evolve? What is the structure and composition of the atmospheres and interiors of these planets? Can we detect biomarkers in the atmospheres of these planets and learn the answer to the fundamental question, are we alone? NASA selected the Transiting Exoplanet Survey Satellite (TESS) in 2014 to conduct a nearly all-sky survey for transiting planets with the goal of identifying at least 50 small planets with measured masses that can be followed up by large telescopic assets, such as the upcoming James Webb Space Telescope. TESS has discovered 266 exoplanets so far, 100 of which are smaller than earth with measured masses. In this talk I will describe how we detect weak transit signatures in noisy but beautiful transit survey data sets and present some of the most compelling discoveries made so far by Kepler and TESS.

TESS↗

DOE OSTI2024

Neutrino Program at Fermilab - Enhancing Proton Beam Power and Accelerator Infrastructure

The upcoming long baseline neutrino experiments aim to enhance proton beam power to multi-MW scale and utilize large-scale detectors to address the challenge of limited event statistics. The DUNE experiment at LBNF will test the three neutrino flavor paradigm and directly search for CP violation by studying oscillation signatures in the high intensity $\nu_{\mu}$ (anti-$\nu_{\mu}$) beam to $\nu_e$ (anti-$\nu_e$) measured over a long baseline.\par Higher beam power and improved accelerator up-time will enhance neutrino flux for the neutrino program by increasing the number of protons on target. LBNF/DUNE, as well as PIP-II upgrade and Accelerator Complex Evolution (ACE) plan, play a vital role in this effort. The scientific potential of ACE plan extends beyond neutrino physics, encompassing endeavors such as the Muon Collider, Charged Lepton Flavor Violation (CLFV), Dark Sectors, and exploration of neutrinos beyond DUNE. In the era of higher-power accelerator operation, research in target materials and beam instrumentation is crucial for optimizing design modifications. This abstract discusses Fermilab ACE, the science opportunities it provides, and how Fermilab is pushing the limits of proton beam power and accelerator infrastructure. By tackling neutrino beam challenges and exploring research and development ideas, we are advancing our understanding of fundamental particles and their interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Neutrino Program at Fermilab -- Enhancing proton beam power and accelerator infrastructure

The upcoming long baseline neutrino experiments aim to enhance proton beam power to multi-MW scale and utilize large-scale detectors to address the challenge of limited event statistics. The DUNE experiment at LBNF will test the three neutrino flavor paradigm and directly search for CP violation by studying oscillation signatures in the high intensity $\nu_{\mu}$ (anti-$\nu_{\mu}$) beam to $\nu_{e}$ (anti-$\nu_{e}$) measured over a long baseline. Higher beam power and improved accelerator up-time will enhance neutrino flux for the neutrino program by increasing the number of protons on target. LBNF/DUNE, as well as PIP-II upgrade and Accelerator Complex Evolution (ACE) plan, play a vital role in this effort. The scientific potential of ACE plan extends beyond neutrino physics, encompassing endeavors such as the Muon Collider, Charged Lepton Flavor Violation (CLFV), Dark Sectors, and exploration of neutrinos beyond DUNE.\par In the era of higher-power accelerator operation , research in target materials and beam instrumentation is crucial for optimizing design modifications. This abstract discusses Fermilab ACE, the science opportunities it provides, and how Fermilab is pushing the limits of proton beam power and accelerator infrastructure. By tackling neutrino beam challenges and exploring research and development ideas, we are advancing our understanding of fundamental particles and their interactions.

43 PARTICLE ACCELERATORS↗