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DOE OSTI2019

Increasing the detection sensitivity of the Radionuclide Aerosol Sampler/Analyzer using a cosmic veto system

Different configurations of a cosmic veto system have been evaluated for the Radionuclide Aerosol Sampler/Analyzer (RASA). The upgrade has the potential to resolve the issue that U.S. IMS radionuclide stations have difficulty meeting the 140Ba Minimum Detectable Concentration (MDC) certification requirement when the natural background radioactivity is high. It also aims to improve the detection sensitivity of the RASA system for other fission and activation products indicative of a nuclear explosion. This proof of principal utilizes a prototype RASA system located at Pacific Northwest National Laboratory (PNNL), and has demonstrated background reductions by up to 11.3% and improvements in the average MDC by up to 7.7%. Recommendations are made for either a 1 or 3 plate configuration, which improves the 140Ba MDC by 5.6% and 7.2% for a blank filter. Whilst elevated 212Pb activity remains problematic, the cosmic veto system provides a practical solution for sensitivity improvement with little design modification of the RASA. It also has value in improving sensitivity and preventing false-positives at remote U.S. IMS station locations where sample transfer for laboratory analysis is logistically difficult.

Comprehensive Nuclear-Test-Ban Treaty, RASA, Cosmi↗

DOE OSTI2017

Differential gene expression profiling of human adipose stem cells differentiating into smooth muscle-like cells by TGFβ1/BMP4

Regenerative repair of the vascular system is challenging from the perspectives of translational medicine and tissue engineering. There are fundamental hurdles in front of creating bioartificial arteries, which involve recaputilation of the three-layered structure under laboratory settings. Obtaining and maintaining smooth muscle characteristics is an important limitation, as the transdifferentiated cells fail to display mature phenotype. This study aims to shed light on the smooth muscle differentiation of human adipose stem cells (hASCs). To this end, we first acquired hASCs from lipoaspirate samples. Upon characterization, the cells were induced to differentiate into smooth muscle (SM)-like cells using a variety of inducer combinations. Among all, TGFβ1/BMP4 combination had the highest differentiation efficiency, based on immunohistochemical analyses. hSM-like cell samples were compared to hASCs and to the positive control, human coronary artery-smooth muscle cells (hCA-SMCs) through gene transcription profiling. Microarray findings revealed the activation of gene groups that function in smooth muscle differentiation, signaling pathways, extracellular modeling and cell proliferation. Our results underline the effectiveness of the growth factors and suggest some potential variables for detecting the SM-like cell characteristics. Evidence in transcriptome level was used to evaluate the TGFβ1/BMP4 combination as a previously unexplored effector for the smooth muscle differentiation of adipose stem cells. - Highlights: • Human adipose stem cells (hASCs) were isolated, characterized and cultured. • Growth factor combinations were evaluated for their effectiveness in differentiation using IHC. • hASCs were differentiated into smooth muscle (SM)-like cells using TGF-β1 and BMP4 combination. • Microarray analysis was performed for hASCs, SM-like cells and coronary artery-SMCs. • Microarray data was used to perform hierarchical clustering and interpretation of activated pathways.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

Spatial localization of excitons and charge carriers in hybrid perovskite thin films

The fundamental photophysics underlying the remarkably high power conversion efficiency of organic-inorganic hybrid perovskite-based solar cells has been increasingly studied using complementary spectroscopic techniques. The spatially heterogeneous polycrystalline morphology of the photoactive layers owing to the presence of distinct crystalline grains has been generally neglected in optical measurements and therefore the reported results are typically averaged over hundreds or even thousands of such grains. Here, we apply femtosecond transient absorption microscopy to spatially and temporally probe ultrafast electronic excited-state dynamics in pristine methylammonium lead tri-iodide (CH 3 NH 3 PbI 3 ) thin films and composite structures. We found that the electronic excited-state relaxation kinetics are extremely sensitive to the sample location probed, which was manifested by position-dependent decay timescales and transient signals. As a result, analysis of transient absorption kinetics acquired at distinct spatial positions enabled us to identify contributions of excitons and free charge carriers.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Relationship between Atmospheric Aerosol Mineral Surface Area and Iron Solubility

Size-fractionated dust aerosols (>7.2, 7.2-3, 3-1.5, 1.5-0.95, 0.95-0.49, and <0.49 mu m) originating from source regions, including the Sahara, North America, and the local marine environment, were collected shipboard in the Atlantic Ocean. Iron mineralogy, oxidation state, and solubility were examined using wet chemistry and synchrotron-based iron K-edge X-ray absorption near edge structure (XANES) spectroscopy. The soluble iron concentration showed a strong positive correlation with calculated aerosol an surface area (R 2 = 0.81). The iron XANES spectra, for all size ranges, were nearly identical for Saharan samples. Spectra from North American and local atmosphere (marine) provenances exhibited more variation between size fractions, with no obvious trends with the particle size. Saharan spectra were distinct from North American spectra, which confirms the different compositions of the two sources. Marine spectra displayed a range of both North American and Saharan spectral characteristics, likely reflecting that the marine samples are ultimately derived from these and potentially other sources. However, despite the notable variation in compositions, the surface area is the predominant factor affecting total iron solubility. Aerosol iron solubilization through acidic surface reactions would be most effective in samples with the highest surface area, which likely results in the strong positive correlation with soluble iron concentration in distilled water.

58 GEOSCIENCES↗

DOE OSTI2022

The Close AGN Reference Survey (CARS)

Active galactic nuclei (AGN) are thought to be responsible for the suppression of star formation in massive ~10 10 M ⊙ galaxies. While this process is a key feature in numerical simulations of galaxy formation, it has not been unambiguously confirmed in observational studies yet. The characterization of the star formation rate (SFR) in AGN host galaxies is challenging as AGN light contaminates most SFR tracers. Furthermore, the various SFR tracers are sensitive to different timescales of star formation from approximately a few to 100 Myr. We aim to obtain and compare SFR estimates from different tracers for AGN host galaxies in the Close AGN Reference Survey (CARS) to provide new observational insights into the recent SFR history of those systems. We constructed integrated panchromatic spectral energy distributions to measure the far infrared (FIR) luminosity as a tracer for the recent (< 100 Myr) SFR. In addition we used the integral-field unit observation of the CARS targets to employ the Hα luminosity decontaminated by AGN excitation as a proxy for the current (< 5 Myr) SFR. We find that significant differences in specific SFR of the AGN host galaxies as compared with the larger galaxy population disappear once cold gas mass, in addition to stellar mass, is used to predict the SFR for a specific AGN host. Only a tentative trend with the inclination of the host galaxy remains, such that SFR appears slightly lower than expected when the galaxies of unobscured AGN appear more edge-on along our line-of-sight, particular for dust-insensitive FIR-based SFRs. We identify individual galaxies with a significant difference in their SFR which can be related to a recent enhancement or decline in their SFR history that might be related to various processes including interactions, gas consumption, outflows, and AGN feedback. AGN can be present in various stages of galaxy evolution which makes it difficult to relate the SFR solely to the impact of the AGN. Our study shows that stellar mass alone is an insufficient parameter to estimate the expected SFR of an AGN host galaxy compared to the underlying non-AGN galaxy population. We do not find any strong evidence for a global positive or negative AGN feedback in the CARS sample. However, there is tentative evidence that (1) the relative orientation of the AGN engine with respect to the host galaxies might alter the efficiency of AGN feedback and that (2) the recent SFH is an additional tool to identify rapid changes in galaxy growth driven by the AGN or other processes.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Ion generation and CPC detection efficiency studies in sub 3-nm size range

We studied the chemical composition of commonly used condensation particle counter calibration ions with a mass spectrometer and found that in our calibration setup the negatively charged ammonium sulphate, sodium chloride and tungsten oxide are the least contaminated whereas silver on both positive and negative and the three mentioned earlier in positive mode are contaminated with organics. We report cut-off diameters for Airmodus Particle Size Magnifier (PSM) 1.1, 1.3, 1.4, 1.6 and 1.6-1.8 nm for negative sodium chloride, ammonium sulphate, tungsten oxide, silver and positive organics, respectively. To study the effect of sample relative humidity on detection efficiency of the PSM we used different humidities in the differential mobility analyzer sheath flow and found that with increasing relative humidity also the detection efficiency of the PSM increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Interpretation of nanoparticle X-ray photoelectron intensities

X-ray photoelectron (XPS) intensities have been simulated for spherical core-shell nanoparticles (NPs) in different geometrical arrangements in order to investigate the validity of commonly made assumptions for the interpretation of XPS NP intensities. The single-sphere approximation is valid for a powder sample when all spatial coordinates of the NP positions are uncorrelated. Correlations along either the depth coordinate or the lateral coordinates lead to features in the angular distribution that provide information on these correlations. The XPS intensity is proportional to the surface-to-volume ratio of nanoparticles but only for NP sizes exceeding the inelastic mean free path of the photoelectrons.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2015

Time-of-flight Extreme Environment Diffractometer at the Helmholtz-Zentrum Berlin

The Extreme Environment Diffractometer (EXED) is a new neutron time-of-flight instrument at the BER II research reactor at the Helmholtz-Zentrum Berlin, Germany. Although EXED is a special-purpose instrument, its early construction made it available for users as a general-purpose diffractometer. In this respect, EXED became one of the rare examples, where the performance of a time-of-flight diffractometer at a continuous source can be characterized. In this paper, we report on the design and performance of EXED with an emphasis on the unique instrument capabilities. The latter comprise variable wavelength resolution and wavelength band, control of the incoming beam divergence, the possibility to change the angular positions of detectors and their distance to the sample, and use of event recording and offline histogramming. These features combined make EXED easily tunable to the requirements of a particular problem, from conventional diffraction to small angle neutron scattering. The instrument performance is demonstrated by several reference measurements and user experiments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2015

Characteristics of ZnO nanostructures synthesized by sonochemical reaction: Effects of continuous and pulse waves

Nanostructured ZnO was synthesized by a sonochemical reaction. Ultrasonic irradiation were set up in continuous, pulse in 3 seconds on and a second off (on:off=3:1), and pulse in 2 seconds on and a second off (on:off=2:1) wave modes for 1.5 hours. The characteristics of particles generated by these modes such as morphology, crystallinity, FTIR, photoluminescence, and photocatalytic activity to degrade methylene blue were compared. Zinc nitrate and ammonia water-based solutions were selected as chemicals without the addition of other surfactants. The morphology of the generated ZnO particles could be tuned from flower-like, needle- or hairy-like, and spherical structures by changing the mode of ultrasonic irradiation from continuous, on:off=3:1, and on:off=2:1 modes, respectively. The generated particles indicated that a wurtzite structure of ZnO in a hexagonal phase was formed. The crystalline sizes of particles generated in continuous, on:off=3:1, and on:off=2:1 modes were 28, 27, 24 nm. A similar position of reduction peak of FTIR in all samples indicated that no differences in particles chemical bonding characteristics. Photoluminescence intensity was also decreased with changes the wave mode from continuous to pulse. Photocatalytic activity was also evaluated resulting in particles synthesized by continuous mode had the highest methylene blue degradation degree following by on:off=3:1, and on:off=2:1 modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Resolving amorphous solid-liquid interfaces by atomic force microscopy

Recent advancements in liquid atomic force microscopy make it an ideal technique for probing the structure of solid-liquid interfaces. Here, we present a structural study of a two-dimensional amorphous silica bilayer immersed in an aqueous solution utilizing liquid atomic force microscopy with sub-nanometer resolution. Structures show good agreement with atomically resolved ultra-high vacuum scanning tunneling microscopy images obtained on the same sample system, owing to the structural stability of the silica bilayer and the imaging clarity from the two-dimensional sample system. Pair distance histograms of ring center positions are utilized to develop quantitative metrics for structural comparison, and the physical origin of pair distance histogram peaks is addressed by direct assessment of real space structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2012

A UNIFORM SEARCH FOR SECONDARY ECLIPSES OF HOT JUPITERS IN KEPLER Q2 LIGHT CURVES

In this paper, we present the results of searching the Kepler Q2 public data set for the secondary eclipses of 76 hot Jupiter planet candidates from the list of 1235 candidates published by Borucki et al. This search has been performed by modeling both the Kepler pre-search data conditioned light curves and new light curves produced via our own photometric pipeline. We derive new stellar and planetary parameters for each system, while calculating robust errors for both. We find 16 systems with 1{sigma}-2{sigma}, 14 systems with 2{sigma}-3{sigma}, and 6 systems with >3{sigma} confidence level secondary eclipse detections in at least one light curve produced via the Kepler pre-search data conditioned light curve or our own pipeline; however, results can vary depending on the light curve modeled and whether eccentricity is allowed to vary or not. We estimate false alarm probabilities of 31%, 10%, and 6% for the 1{sigma}-2{sigma}, 2{sigma}-3{sigma}, and >3{sigma} confidence intervals, respectively. Comparing each secondary eclipse result to theoretical expectations, we find that the majority of detected planet candidates emit more light than expected owing to thermal blackbody emission in the optical Kepler bandpass, and present a trend of increasing excess emission with decreasing maximum effective planetary temperature. These results agree with previously published optical secondary eclipse data for other hot Jupiters. We explore modeling biases, significant planetary albedos, non-local thermodynamic equilibrium or other thermal emission, significant internal energy generation, and misidentification of brown dwarfs, low-mass stars, or stellar blends as possible causes of both the excess emission and its correlation with expected planetary temperature. Although we find that no single cause is able to explain all of the planet candidates, significant planetary albedos, with a general trend of increasing planetary albedos with decreasing atmospheric temperatures, are able to explain most of the systems. Identifying systems that we deem likely to be low-mass stars or stellar blends, we estimate an 11% false-positive rate in the current Kepler planet candidate sample of hot Jupiters. We also establish robust upper limits on the eclipse depth for the remaining systems and find that the emission of a significant fraction of these systems is consistent with the planets having very low albedos, i.e., at least 30% of all systems have A{sub g} < 0.3 at 1{sigma} confidence levels. This result augments the current number of constrained exoplanetary albedos and extends the sample of low albedo determinations to planets with temperatures as low as 1200 K. Finally, we note that continued observations with the Kepler spacecraft and improved techniques for the removal of systematic noise in the Kepler data are needed to better characterize these systems.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Low-rank matrix decomposition and spatio-temporal sparse recovery for STAP radar

We develop space-time adaptive processing (STAP) methods by leveraging the advantages of sparse signal processing techniques in order to detect a slowly-moving target. We observe that the inherent sparse characteristics of a STAP problem can be formulated as the low-rankness of clutter covariance matrix when compared to the total adaptive degrees-of-freedom, and also as the sparse interference spectrum on the spatio-temporal domain. By exploiting these sparse properties, we propose two approaches for estimating the interference covariance matrix. In the first approach, we consider a constrained matrix rank minimization problem (RMP) to decompose the sample covariance matrix into a low-rank positive semidefinite and a diagonal matrix. The solution of RMP is obtained by applying the trace minimization technique and the singular value decomposition with matrix shrinkage operator. Our second approach deals with the atomic norm minimization problem to recover the clutter response-vector that has a sparse support on the spatio-temporal plane. We use convex relaxation based standard sparse-recovery techniques to find the solutions. With extensive numerical examples, we demonstrate the performances of proposed STAP approaches with respect to both the ideal and practical scenarios, involving Doppler-ambiguous clutter ridges, spatial and temporal decorrelation effects. As a result, the low-rank matrix decomposition based solution requires secondary measurements as many as twice the clutter rank to attain a near-ideal STAP performance; whereas the spatio-temporal sparsity based approach needs a considerably small number of secondary data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2017

Synchronized Wireless Measurement of High-Voltage Power System Frequency Using Mobile Embedded Systems

This paper focuses on synchronized wireless measurement of high-voltage (HV) power system frequency using mobile embedded systems (MESs) integrated with a wireless electric field sensor (WEFS). Unlike traditional synchronized frequency measurement devices, which rely on potential transformers and current transformers physically connected to system elements, a WEFS is used to realize wireless signal acquisition in the vicinity of any HV apparatus. The MES performs real-time frequency estimation using a recursive discrete Fourier transform based algorithm. Network time protocol (NTP) is used for time synchronization, increasing the system flexibility by eliminating global positioning system reliance. An NTP-based synchronized sampling control method is proposed and implemented in MES to compensate the sampling time error caused by local time drift and division residue. The proposed system has the advantages of portability and lower cost, making it highly accessible and useful for a wide array of synchronized frequency measurement applications. Experiment results verify the accuracy and effectiveness of the proposed system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

lanl/bacterial-classification

bacterial-classification is a sub repository of the Intelligent Immunity project specific to training and testing machine learning models for bacterial classification (Gram-positive, Gram-negative, and non-bacterial samples). Specifically, this repository aims to compare ML classification performance across different dataset curation strategies.

Mancuso, Marina [Los Alamos National Laboratory]↗

DOE OSTI2022

Inferring small-sample-reactivity worth from oscillation experiment with auto-corrected local flux

To estimate reactivity changes as a function of time from the signal of detectors count rates, one usually uses point kinetic equations. However, when detectors are located inside the core, it is often necessary to compute a correction factor to account for the flux-shape deformation (i.e. the change of detector efficiency that may have been induced by neutron absorbers movements). Various simulation methods have been developed depending on transients observed. They range from the resolution of static equations up to full-time-dependent neutron transport in 3D. However, those methods require high computational-cost calculations of local reaction rates that rely on nuclear data evaluations. Therefore, a 'measured' reactivity is never determined through pure measurements. Taking advantage of the known oscillation movement of a small sample at the center of the MINERVE reactor, the innovative algorithm presented in this paper derives the correction factor needed to get no time drift on reactivity steps. Derived correction factors are in good agreement with those obtained independently with TRIPOLI-4 through sensitivity analysis. Low sensitivity to the sample composition and moderate sensitivity to the detectors position reinforce the reliability of those results. This application paves the way to almost pure nuclear data reactivity measurements. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Development and validation of a 30-day mortality index based on pre-existing medical administrative data from 13,323 COVID-19 patients: The Veterans Health Administration COVID-19 (VACO) Index

Background Available COVID-19 mortality indices are limited to acute inpatient data. Using nationwide medical administrative data available prior to SARS-CoV-2 infection from the US Veterans Health Administration (VA), we developed the VA COVID-19 (VACO) 30-day mortality index and validated the index in two independent, prospective samples. Methods and findings We reviewed SARS-CoV-2 testing results within the VA between February 8 and August 18, 2020. The sample was split into a development cohort (test positive between March 2 and April 15, 2020), an early validation cohort (test positive between April 16 and May 18, 2020), and a late validation cohort (test positive between May 19 and July 19, 2020). Our logistic regression model in the development cohort considered demographics (age, sex, race/ethnicity), and pre-existing medical conditions and the Charlson Comorbidity Index (CCI) derived from ICD-10 diagnosis codes. Weights were fixed to create the VACO Index that was then validated by comparing area under receiver operating characteristic curves (AUC) in the early and late validation cohorts and among important validation cohort subgroups defined by sex, race/ethnicity, and geographic region. We also evaluated calibration curves and the range of predictions generated within age categories. 13,323 individuals tested positive for SARS-CoV-2 (median age: 63 years; 91% male; 42% non-Hispanic Black). We observed 480/3,681 (13%) deaths in development, 253/2,151 (12%) deaths in the early validation cohort, and 403/7,491 (5%) deaths in the late validation cohort. Age, multimorbidity described with CCI, and a history of myocardial infarction or peripheral vascular disease were independently associated with mortality–no other individual comorbid diagnosis provided additional information. The VACO Index discriminated mortality in development (AUC = 0.79, 95% CI: 0.77–0.81), and in early (AUC = 0.81 95% CI: 0.78–0.83) and late (AUC = 0.84, 95% CI: 0.78–0.86) validation. The VACO Index allows personalized estimates of 30-day mortality after COVID-19 infection. For example, among those aged 60–64 years, overall mortality was estimated at 9% (95% CI: 6–11%). The Index further discriminated risk in this age stratum from 4% (95% CI: 3–7%) to 21% (95% CI: 12–31%), depending on sex and comorbid disease. Conclusion Prior to infection, demographics and comorbid conditions can discriminate COVID-19 mortality risk overall and within age strata. The VACO Index reproducibly identified individuals at substantial risk of COVID-19 mortality who might consider continuing social distancing, despite relaxed state and local guidelines.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Technical Report: Algorithm and Implementation for Quasispecies Abundance Inference with Confidence Intervals from Metagenomic Sequence Data

This report describes the design and implementation of an algorithm for estimating relative microbial abundances, together with confidence limits, using data from metagenomic DNA sequencing. For the background behind this project and a detailed discussion of our modeling approach for metagenomic data, we refer the reader to our earlier technical report, dated March 4, 2014. Briefly, we described a fully Bayesian generative model for paired-end sequence read data, incorporating the effects of the relative abundances, the distribution of sequence fragment lengths, fragment position bias, sequencing errors and variations between the sampled genomes and the nearest reference genomes. A distinctive feature of our modeling approach is the use of a Chinese restaurant process (CRP) to describe the selection of genomes to be sampled, and thus the relative abundances. The CRP component is desirable for fitting abundances to reads that may map ambiguously to multiple targets, because it naturally leads to sparse solutions that select the best representative from each set of nearly equivalent genomes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Survey of U.S. Research Reactor Auxiliary Facilities Used for Material Testing and Basic Neutron Science

A catalogue of and attributes of the Materials Irradiation and Testing facilities (MIF) and the Basic Neutron Science facilities (BSF) of auxiliary (AUX) facilities of research reactors are compiled. The survey of these facilities is drawn from the set of U.S. university and DOE research reactor facilities and should be considered as a reference point when comparing commonalities in international AUX facilities. The size and shielding capabilities of the facilities, the typical characterization equipment used, and the neutron flux and irradiation capabilities of the facilities are listed. Short descriptions of experimental activities and current practices are detailed for MIFs and BSFs. The attributes are important in consideration of the reconfiguration of the facilities for purposes other than stated mission, i.e., for proliferation of weapons-usable nuclear material (WUNM). An evaluation of the capacity for production rate of WUNM from neutron beams-on-targets or a sample that has been placed in an irradiation position for a period is provided. Further evaluation of reconfiguration of these MIF and BSF are recommended to refine the proliferation risks. Specifically, MIF hot cells and potential configurations, additional modeling of facility throughput and development of methods for determining levels of concern for MIF and BSF have all been identified as steps for refinement of determination of the risks associated with these facilities. Future work will focus on: 1. A model of projected throughput for different MIF and BSF configurations that will be used to provide a window of potential operational misuse for a facility and better understand the capability of production and the rate of processing for WUNM in these facilities. 2. A misuse study for various configurations of MIF hot cell layouts detailing capacity, specifications, shielding constraints for MIF operations, identification of a maximum shielding thickness, and reasonable need associated with each activity performed in a MIF. 3. Development of a rule of thumb rating system utilizing data gathered from previous reports to show levels of concern at a given power level, flux, and experiment set.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗