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All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Studies of thin films of Ti- Zr -V as non-evaporable getter films prepared by RF sputtering

Non-Evaporable Getter (NEG) films of the Ti-Zr-V prepared on stainless steel substrates by Radio Frequency sputtering. To observe its getter behavior at the lowest activation temperature, the sample is heated continuously at different temperatures (100 Degree-Sign C, 150 Degree-Sign C, 200 Degree-Sign C and 250 Degree-Sign C) for 2 hours. The changes of the surface chemical composition at different temperaturesare analyzed by using XPS and SEM (Scanning Electron Microscopy) techniques. The volume elemental composition of the film has been measured by energy dispersive X-ray spectroscopy (EDX). The in-situ XPS measurements of the activated getter films show the disappearance of the superficial oxide layer through the variation in the oxygen stoichiometry during thermal activation. Results of these studies show that the deposited films of Ti-Zr-V could be used as NEG to produce extreme high vacuum.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Construction of a scattering chamber for ion-beam analysis of environmental materials in undergraduate physics research

We have developed a new scattering chamber for ion-beam analysis of environmental materials with the 1.1-MV Pelletron accelerator at the Union College Ion-Beam Analysis Laboratory. The chamber was constructed from a ten-inch, Conflat, multi-port cross and includes a three-axis target manipulator and target ladder assembly, an eight-inch turbo pump, an Amptek X-ray detector, and multiple charged particle detectors. Recent projects performed by our undergraduate research team include proton induced X-ray emission (PIXE) and Rutherford backscattering (RBS) analyses of atmospheric aerosols collected with a nine-stage cascade impactor in Upstate New York. We will describe the construction of the chamber and discuss the results of some commissioning experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Recent developments in atomic/nuclear methodologies used for the study of cultural heritage objects

Archaeometry is an area established in the international community since the 60s, with extensive use of atomic-nuclear methods in the characterization of art, archaeological and cultural heritage objects in general. In Brazil, however, until the early '90s, employing methods of physics, only the area of archaeological dating was implemented. It was only after this period that Brazilian groups became involved in the characterization of archaeological and art objects with these methodologies. The Laboratory of Applied Nuclear Physics, State University of Londrina (LFNA/UEL) introduced, pioneered in 1994, Archaeometry and related issues among its priority lines of research, after a member of LFNA has been involved in 1992 with the possibilities of tomography in archaeometry, as well as the analysis of ancient bronzes by EDXRF. Since then, LFNA has been working with PXRF and Portable Raman in several museums in Brazil, in field studies of cave paintings and in the laboratory with material sent by archaeologists, as well as carrying out collaborative work with new groups that followed in this area. From 2003/2004 LAMFI/DFN/IFUSP and LIN/COPPE/UFRJ began to engage in the area, respectively with methodologies using ion beams and PXRF, then over time incorporating other techniques, followed later by other groups. Due to the growing number of laboratories and institutions/archaeologists/conservators interested in these applications, in may 2012 was created a network of available laboratories, based at http://www.dfn.if.usp.br/lapac. It will be presented a panel of recent developments and applications of these methodologies by national groups, as well as a sampling of what has been done by leading groups abroad.

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DOE OSTI2013

Concentration of Ca in blood of amateur runners using NAA

In this study the Ca levels were determined in amateur runners blood at LABEX (Laboratorio de Bioquimica do Exercicio - UNICAMP, Brazil), using Neutron Activation Analyses (NAA) technique. The range established at rest (162 - 410 mgL{sup -1}) when compared with control group (51 - 439 mgL{sup -1}) suggests that there is a dependency of these limits in the function of the adopted physical training.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Low background counting at the LBNL low background facility

The Low Background Facility (LBF) at the Lawrence Berkeley National Laboratory (LBNL) in Berkeley, California provides low background gamma spectroscopy services to end-users in two unique facilities: locally within a carefully-constructed, low background laboratory space; and a satellite underground station (600 m.w.e) in Oroville, CA. These facilities provide a variety of gamma spectroscopy services to low background experiments primarily in the form of passive material screening for primordial radioisotopes (U, Th, K) or common cosmogenic and anthropogenic products, as well as active screening via neutron activation analysis for specific applications. A general overview of the facilities, services, and capabilities will be discussed. Recent activities will also be presented, including the recent installation of a 3π muon veto at the surface facility, cosmogenic activation studies of TeO{sub 2} for CUORE, and environmental monitoring of Fukushima fallout.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Measurement of low radioactivity background in a high voltage cable by high resolution inductively coupled plasma mass spectrometry

The measurement of naturally occurring low level radioactivity background in a high voltage (HV) cable by high resolution inductively coupled plasma mass spectrometry (HR ICP MS) is presented in this work. The measurements were performed at the Chemistry Service of the Gran Sasso National Laboratory. The contributions to the radioactive background coming from the different components of the heterogeneous material were separated. Based on the mass fraction of the cable, the whole contamination was calculated. The HR ICP MS results were cross-checked by gamma ray spectroscopy analysis that was performed at the low background facility STELLA (Sub Terranean Low Level Assay) of the LNGS underground lab using HPGe detectors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Determination of {sup 140}La fission product interference factor for INAA

Instrumental Neutron Activation Analysis (INAA) is a technique widely used to determine the concentration of several elements in several kinds of matrices. However if the sample of interest has higher relative uranium concentration the obtained results can be interfered by the uranium fission products. One of these cases that is affected by interference due to U fission is the {sup 140}La, because this radioisotope used in INAA for the determination of concentration the La is also produced by the {sup −}β of {sup 140}Ba, an uranium fission product. The {sup 140}La interference factor was studied in this work and a factor to describe its time dependence was obtained.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

In-air RBS measurements at the LAMFI external beam setup

This work describes new developments in the external beam setup of the Laboratory of Material Analysis with Ion Beams of the University of São Paulo (LAMFI-USP). This setup was designed to be a versatile analytical station to analyze a broad range of samples. In recent developments, we seek the external beam Rutherford Backscattering Spectroscopy (RBS) analysis to complement the Particle Induced X-ray Emission (PIXE) measurements. This work presents the initial results of the external beam RBS analysis as well as recent developments to improve the energy resolution RBS measurements, in particular tests to seek for sources of resolution degradation. These aspects are discussed and preliminary results of in-air RBS analysis of some test samples are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Classification of Malaysia aromatic rice using multivariate statistical analysis

Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC–MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Sample registration software for process automation in the Neutron Activation Analysis (NAA) Facility in Malaysia nuclear agency

Neutron Activation Analysis (NAA) had been established in Nuclear Malaysia since 1980s. Most of the procedures established were done manually including sample registration. The samples were recorded manually in a logbook and given ID number. Then all samples, standards, SRM and blank were recorded on the irradiation vial and several forms prior to irradiation. These manual procedures carried out by the NAA laboratory personnel were time consuming and not efficient. Sample registration software is developed as part of IAEA/CRP project on ‘Development of Process Automation in the Neutron Activation Analysis (NAA) Facility in Malaysia Nuclear Agency (RC17399)’. The objective of the project is to create a pc-based data entry software during sample preparation stage. This is an effective method to replace redundant manual data entries that needs to be completed by laboratory personnel. The software developed will automatically generate sample code for each sample in one batch, create printable registration forms for administration purpose, and store selected parameters that will be passed to sample analysis program. The software is developed by using National Instruments Labview 8.6.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Solubility of {sup 238}U radionuclide from various types of soil in synthetic gastrointestinal fluids using “US in vitro” digestion method

238U radionuclide is a naturally occuring radioactive material that can be found in soil. In this study, the solubility of 238U radionuclide obtained from various types of soil in synthetic gastrointestinal fluids was analysed by “US P in vitro” digestion method. The synthetic gastrointestinal fluids were added to the samples with well-ordered, mixed throughly and incubated according to the human physiology digestive system. The concentration of 238U radionuclide in the solutions extracted from the soil was measured using Induced Coupling Plasma Mass Spectrometer (ICP-MS). The concentration of 238U radionuclide from the soil samples in synthetic gastrointestinal fluids showed different values due to different homogenity of soil types and chemical reaction of 238U radionuclide. In general, the solubility of 238U radionuclide in gastric fluid was higher (0.050 – 0.209 ppm) than gastrointestinal fluids (0.024 – 0.050 ppm). It could be concluded that the US P in vitro digestion method is practicle for estimating the solubility of 238U radionuclide from soil materials and could be useful for monitoring and risk assessment purposes applying to environmental, health and contaminated soil samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Characterization of solids deposited on the modular caustic-side solvent extraction unit (MCU) coalescer media removed in May and October 2014

During routine maintenance, the coalescers utilized in the Modular Caustic-Side Solvent Extraction Unit (MCU) processing of Salt Batch 6 and a portion of Salt Batch 7 were sampled and submitted to the Savannah River National Laboratory (SRNL) for characterization, for the purpose of identifying solid phase constituents that may be accumulating in these coalescers. Specifically, two samples were received and characterized: A decontaminated salt solution (DSS) coalescer sample and a strip effluent (SE) coalescer sample. Aliquots of the samples were analyzed by XRD, Fourier Transform Infrared (FTIR) Spectroscopy, SEM, and EDS. Other aliquots of the samples were leached in acid solution, and the leachates were analyzed by ICP-AES. In addition, modeling was performed to provide a basis for comparison of the analytical results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRSDate not supplied

Growth Curve Parameterization of Metabolic Activity of Yeast Cells for BioSentinel

The goal of the BioSentinel small satellite payload is to measure the effect of deep space radiation on the growth and metabolic activity of yeast cells. Raw test data is generated by fluidics cards containing yeast cells rehydrated at different periods, with metabolic activity measured by the reduction of alamarBlue. Each card well has a sensor array that measures the amount of red, green, and infrared light transmitted through the yeast culture. This illumination data is then converted to absorbance values, which are further converted into concentrations. The ultimate objective is to convert these concentrations into biologically-relevant metrics that can be compared against one another to determine changes due to differential radiation exposure. Beginning with IR absorbance data (corresponding to cell density) from ground studies, three parameters from a sigmoidal growth curve were extracted and analyzed: 𝜆 (lag phase), 𝜇 (max growth rate), and A (max cell growth). The data was fit to the Gompertz model of microbial growth using non-linear regression (Minitab), as the fit error was reduced compared to the simpler logistic growth curve. Graphs showed that the data contained a discrepancy (drift) in the lag phase that is attributable to a slow, constant loss of moisture. Correcting this discrepancy by fitting the first 25 hours of the data to a power function and subtracting these values from the absorbance readings obtained a better statistical fit to the growth curve in the lag phase. A power fit was selected over a linear fit because it reflected the effects of constant volume loss. This correction to the BioSentinel data analysis pipeline will enable quantitative statistical analysis of the effect of different levels of deep space radiation on yeast cells. Future work includes automation of drift correction and curve modeling to extract these parameters directly from data.

Growth Curve↗
DOE OSTI2016

Evaluating quantitative 3-D image analysis as a design tool for low enriched uranium fuel compacts for the transient reactor test facility: A preliminary study

In this study, 3-D image analysis when combined with a non-destructive examination technique such as X-ray computed tomography (CT) provides a highly quantitative tool for the investigation of a material’s structure. In this investigation 3-D image analysis and X-ray CT were combined to analyze the microstructure of a preliminary subsized fuel compact for the Transient Reactor Test Facility’s low enriched uranium conversion program to assess the feasibility of the combined techniques for use in the optimization of the fuel compact fabrication process. The quantitative image analysis focused on determining the size and spatial distribution of the surrogate fuel particles and the size, shape, and orientation of voids within the compact. Additionally, the maximum effect of microstructural features on heat transfer through the carbonaceous matrix of the preliminary compact was estimated. The surrogate fuel particles occupied 0.8% of the compact by volume with a log-normal distribution of particle sizes with a mean diameter of 39 μm and a standard deviation of 16 μm. Roughly 39% of the particles had a diameter greater than the specified maximum particle size of 44 μm suggesting that the particles agglomerate during fabrication. The local volume fraction of particles also varies significantly within the compact although uniformities appear to be evenly dispersed throughout the analysed volume. The voids produced during fabrication were on average plate-like in nature with their major axis oriented perpendicular to the compaction direction of the compact. Finally, the microstructure, mainly the large preferentially oriented voids, may cause a small degree of anisotropy in the thermal diffusivity within the compact. α∥/α⊥, the ratio of thermal diffusivities parallel to and perpendicular to the compaction direction are expected to be no less than 0.95 with an upper bound of 1.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2018

Seasonal and Interannual Assessment of Cloud Cover and Atmospheric Constituents Across the Amazon (2000 - 2015): Insights for Remote Sensing and Climate Analysis

The quantitative assessment of cloud cover and atmospheric constituents improves our ability to exploit the climate feedback into the Amazon basin. In the 21st century, three droughts have already occurred in the Amazonia (e.g. 2005, 2010, 2015), inducing regional changes in the seasonal patterns of atmospheric constituents. In addition to climate, the atmospheric dynamic and attenuation properties are long-term challenges for satellite-based remote sensing of this ecosystem: high cloudiness, abundant water vapor content and biomass burning season. Therefore, while climatology analysis supports the understanding of atmospheric variability and trends, it also offers valuable insights for remote sensing applications. In this study, we evaluate the seasonal and interannual variability of cloud cover and atmospheric constituents (aerosol loading, water vapor and ozone content) over the Amazon basin, with focus on both climate analysis and remote sensing implications. We take the advantage of new atmosphere daily products at 1 km resolution derived from Multi-Angle Implementation for Atmospheric Correction (MAIAC) algorithm developed for Moderate Resolution Imaging Spectroradiometer (MODIS) data. An intercomparison of Aerosol Robotic Network (AERONET) and MAIAC aerosol optical depth (AOD) and columnar water vapor (CWV) showed quantitative information with a correlation coefficient higher than 0.81. Our results show distinct regional patterns of cloud cover across the Amazon basin: northwestern region presets a persistent cloud cover (> 80%) throughout the year, while low cloud cover (0-20%) occurs in the southern Amazon during the dry season. The cloud-free period in the southern Amazon is followed by an increase in the atmospheric burden due to fire emissions. Our results reveal that AOD records are changing in terms of area and intensity. During the 2005 and 2010 droughts, the positive AOD anomalies (δ > 0.1) occurred over 39.03% (240.3 million ha) and 27.14% (165.99 million ha) of total basin in the SON season, respectively. In contrast, the recent 2015 drought occurred towards the end of year (October through December) and these anomalies were observed over 23.72% (145 million ha) affecting areas in the central and eastern Amazon unlike previous droughts. The water vapor presents high concentration values (4.0-5.0 g/sq.cm) in the wet season (DJF), while we observed a strong spatial gradient from northwestern to southeastern of the basin during the dry season. In addition, we also found a positive trend of water vapor content ( ∼0.3 g/sq.cm) between 2000 and 2015. The total ozone typically varies between 220 and 270 DU, and it has a seasonal change of ∼25-35 DU from wet season to dry season caused by large emissions of ozone precursors and long-range transport. Finally, while this study contributes to climatological analysis of atmospheric constituents, the remote sensing users can also understand the regional constraints caused by atmospheric attenuation, such as high aerosol loading and cloud obstacles for surface observations.

ozone↗
DOE OSTI2024

Establishing performance metrics for quantitative non-targeted analysis: a demonstration using per- and polyfluoroalkyl substances

Abstract Non-targeted analysis (NTA) is an increasingly popular technique for characterizing undefined chemical analytes. Generating quantitative NTA (qNTA) concentration estimates requires the use of training data from calibration “surrogates,” which can yield diminished predictive performance relative to targeted analysis. To evaluate performance differences between targeted and qNTA approaches, we defined new metrics that convey predictive accuracy, uncertainty (using 95% inverse confidence intervals), and reliability (the extent to which confidence intervals contain true values). We calculated and examined these newly defined metrics across five quantitative approaches applied to a mixture of 29 per- and polyfluoroalkyl substances (PFAS). The quantitative approaches spanned a traditional targeted design using chemical-specific calibration curves to a generalizable qNTA design using bootstrap-sampled calibration values from “global” chemical surrogates. As expected, the targeted approaches performed best, with major benefits realized from matched calibration curves and internal standard correction. In comparison to the benchmark targeted approach, the most generalizable qNTA approach (using “global” surrogates) showed a decrease in accuracy by a factor of ~4, an increase in uncertainty by a factor of ~1000, and a decrease in reliability by ~5%, on average. Using “expert-selected” surrogates ( n = 3) instead of “global” surrogates ( n = 25) for qNTA yielded improvements in predictive accuracy (by ~1.5×) and uncertainty (by ~70×) but at the cost of further-reduced reliability (by ~5%). Overall, our results illustrate the utility of qNTA approaches for a subclass of emerging contaminants and present a framework on which to develop new approaches for more complex use cases. Graphical Abstract

Pu, Shirley (ORCID:0000000201223797)↗
DOE OSTI2014

A quantitative quantum-chemical analysis tool for the distribution of mechanical force in molecules

The promising field of mechanochemistry suffers from a general lack of understanding of the distribution and propagation of force in a stretched molecule, which limits its applicability up to the present day. In this article, we introduce the JEDI (Judgement of Energy DIstribution) analysis, which is the first quantum chemical method that provides a quantitative understanding of the distribution of mechanical stress energy among all degrees of freedom in a molecule. The method is carried out on the basis of static or dynamic calculations under the influence of an external force and makes use of a Hessian matrix in redundant internal coordinates (bond lengths, bond angles, and dihedral angles), so that all relevant degrees of freedom of a molecule are included and mechanochemical processes can be interpreted in a chemically intuitive way. The JEDI method is characterized by its modest computational effort, with the calculation of the Hessian being the rate-determining step, and delivers, except for the harmonic approximation, exact ab initio results. We apply the JEDI analysis to several example molecules in both static quantum chemical calculations and Born-Oppenheimer Molecular Dynamics simulations in which molecules are subject to an external force, thus studying not only the distribution and the propagation of strain in mechanically deformed systems, but also gaining valuable insights into the mechanochemically induced isomerization of trans-3,4-dimethylcyclobutene to trans,trans-2,4-hexadiene. The JEDI analysis can potentially be used in the discussion of sonochemical reactions, molecular motors, mechanophores, and photoswitches as well as in the development of molecular force probes.

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