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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Tandem LA-ICP-MS & LIBS; A New Micro-Analytical Technique for the Measurement of Every Element in the Periodic Table

Laser Ablation ICP-MS (LA-ICP-MS) has been widely accepted as a microanalytical technique for in-situ trace (ppb) elemental analysis on the micron scale in a variety of geologic materials. LA-ICP-MS (single or multi-collector) provides both elemental and isotopic measurements critical for a wide range of geological research by generating a fine grained aerosol (nm scale) during the laser ablation event and delivering that aerosol to the ICP ion source of the mass spectrometer via an inert carrier gas. LA-ICP-MS, however, suffers from limitations in analyzing high ionization potential elements as well as elements subject to atmospheric and argon based interferences. LA-ICP-MS also has limitations in analyzing major elements due to detector saturation. An alternative laser ablation technique, Laser Induced Breakdown Spectroscopy (LIBS), employs an optical spectrometer integrated into the laser ablation system that analyzes the laser induced plasma at the sample surface across the entire optical spectrum for emission lines of every element in the periodic table. Elements that are difficult or impossible to measure with LA-ICP-MS are now possible to analyze with LIBS down to low ppm levels with CCD and/or ICCD detection. We introduce a new laser based technique, “Tandem LA-LIBS”, that combines LA for ICP-MS and LIBS into one integrated laser ablation system. This system has the effect of expanding the elemental coverage and the dynamic range of the laser ablation experiment as measurements from ppb to % level matrix elements can now be analyzed in a single ablation experiment. We present both femtosecond and nanosecond Tandem LA-LIBS quantitative and qualitative data on wide range of geological materials for those elements that are difficult or impossible by traditional LA-ICP-MS techniques such as F, H, O, N, C, S, halogens, etc. We also demonstrate that the simultaneous measurement of trace, minor and major elements are now possible in a single laser ablation experiment with Tandem LA-LIBS technology.

LA-ICP-MS↗
NASA NTRS2011

Compact near-IR and mid-IR cavity ring down spectroscopy device

This invention relates to a compact cavity ring down spectrometer for detection and measurement of trace species in a sample gas using a tunable solid-state continuous-wave mid-infrared PPLN OPO laser or a tunable low-power solid-state continuous wave near-infrared diode laser with an algorithm for reducing the periodic noise in the voltage decay signal which subjects the data to cluster analysis or by averaging of the interquartile range of the data.

Miller, J. Houston↗
NASA NTRS1994

Analysis of trace halocarbon contaminants in ultra high purity helium

This study describes the analysis of ultra high purity helium. Purification studies were conducted and containment removal was effected by the utilization of solid adsorbent purge-trap systems at cryogenic temperatures. Volatile organic compounds in ultra high purity helium were adsorbed on a solid adsorbent-cryogenic trap, and thermally desorbed trace halocarbon and other contaminants were analyzed by combined gas chromatography-mass spectrometry.

Fewell, Larry L.↗
NASA NTRS2004

Extratropical Stratosphere-Troposphere Mass Exchange

Understanding the exchange of gases between the stratosphere and the troposphere is important for determining how pollutants enter the stratosphere and how they leave. This study does a global analysis of that the exchange of mass between the stratosphere and the troposphere. While the exchange of mass is not the same as the exchange of constituents, you can t get the constituent exchange right if you have the mass exchange wrong. Thus this kind of calculation is an important test for models which also compute trace gas transport. In this study I computed the mass exchange for two assimilated data sets and a GCM. The models all agree that amount of mass descending from the stratosphere to the troposphere in the Northern Hemisphere extra tropics is approx. 10(exp 10) kg/s averaged over a year. The value for the Southern Hemisphere by about a factor of two. ( 10(exp 10) kg of air is the amount of air in 100 km x 100 km area with a depth of 100 m - roughly the size of the D.C. metro area to a depth of 300 feet.) Most people have the idea that most of the mass enters the stratosphere through the tropics. But this study shows that almost 5 times more mass enters the stratosphere through the extra-tropics. This mass, however, is quickly recycled out again. Thus the lower most stratosphere is a mixture of upper stratospheric air and tropospheric air. This is an important result for understanding the chemistry of the lower stratosphere.

Schoeberl, Mark R.↗
NASA NTRS1978

Analysis of three-dimensional ducted and exhaust plume flowfields

Computational procedures are described for analyzing three-dimensional supersonic internal flows and multinozzle exhaust plume flowfields. The computer codes (BIGMAC and CHAR3D) embodying these procedures cater to a broad spectrum of geometric situations via the use of multiple reference plane grid networks in several coordinate systems. Shock capturing techniques are employed to trace the propagation and interaction of multiple shock surfaces. Gas properties consist of combustion products in chemical equilibrium. The computational accuracy of the codes is assessed via comparisons with the results of other codes and experimental data. Results are presented for the flows in two-dimensional ducts, corner flows, flow in a rectangular nozzle, and the plume flowfields for exhausts issuing out of single and multiple rectangular nozzles.

Dash, S. M.↗
NASA NTRS2022

Development of Gas Analysis Capabilities

Project Description: The project objective was to develop gas analysis methodology and processes to identify and quantify contaminants specific to KSC, primarily volatile organic compounds (VOCs), utilizing the recently purchased gas chromatograph-mass spectrometer (GCMS) coupled with a sample pre-concentrator. This work established a standing, quick-turnaround quantitative GCMS methodology for KSC-specific VOCs associated with launching and landing spacecraft at trace-levels far below previous detection limits. Closeout Summary: This project established a standing methodology for rapid turnaround identification and quantification of 119 targeted VOCs considered most likely to be encountered at KSC. Of these, 111 of the calibration files are based on manufacturer-certified gas standard mixes. The other eight were generated using standards generated in-house from neat, certified reference materials using procedures for standard generation that were developed under this project. Additionally, the spectral signatures of two hydrofluorocarbon precision cleaning solvents, that are widely used in flight hardware processing, have been added to the mass spectral library for rapid qualitative identification.

Cristina Oropeza↗
DOE OSTI2023

Quantitation of olefins in sustainable aviation fuel intermediates using principal component analysis coupled with vacuum ultraviolet spectroscopy

Olefins, a common intermediate from biomass conversion processes, are undesirable in jet fuel because of their poor thermal stability. This paper presents an approach for olefin quantitation using 2D gas chromatography coupled with vacuum ultraviolet spectroscopy. Principal component analysis was used to reduce the dimensionality of the spectroscopic data from a highly olefinic fuel intermediate. A principal component template was created that enabled olefin quantitation, which was compared to the existing GCxGC-VUV approach from the literature. The principal component method was able to identify and quantify trace amounts of cyclodienes, which were present at only 0.01 wt% in the fuel sample. The principal component approach also identifies species that fall outside of the GCxGC template. For instance, quantitation with the literature method resulted in an olefin concentration of 0.95 times that of the principal component method due to olefins falling outside of the expected GCxGC regions. The principal component results were compared with 13 C and 1 H NMR data, which confirmed that the fuel had a high concentration of olefins and alkanes with little aromatic content.

Kosir, Shane↗
NASA NTRS1999

Middle Atmosphere Transport Properties of Assimilated Datasets

One of the most compelling reasons for performing data assimilation in the middle atmosphere is to obtain global, balanced datasets for studies of trace gas transport and chemistry. This is a major motivation behind the Goddard Earth observation System-Data Assimilation System (GEOS-DAS). Previous studies have shown that while this and other data assimilation systems can generally obtain good estimates of the extratropical rotational velocity field, the divergent part of the dynamical field is deficient; this impacts the "residual circulation" and leads to spurious trace gas transport on seasonal and interannual timescales. These problems are impacted by the quality and the method of use of the observational data and by deficiencies in the atmospheric general circulation model. Whichever the cause at any place and time, the "solution" is to introduce non-physical forcing terms into the system (the so-called incremental analysis updates); these can directly (thermal) or indirectly (mechanical) affect the residual circulation. This paper will illustrate how the divergent circulation is affected by deficiencies in both observations and models. Theoretical considerations will be illustrated with examples from the GEOS-DAS and from simplified numerical experiments. These are designed to isolate known problems, such as the inability of models to sustain a quasi-biennial oscillation and sparse observational constraints on tropical dynamics, or radiative inconsistencies in the presence of volcanic aerosols.

Pawson, Steven↗
NASA NTRS1999

Middle Atmospheric Transport Properties of Assimilated Datasets

One of the most compelling reasons for performing data assimilation in the middle atmosphere is to obtain global, balanced datasets for studies of trace gas transport and chemistry. This is a major motivation behind the Goddard Earth observation System-Data Assimilation System (GEOS-DAS). Previous studies have shown that while this and other data assimilation systems can generally obtain good estimates of the extratropical rotational velocity field, the divergent part of the dynamical field is deficient; this impacts the "residual circulation" and leads to spurious trace gas transport on seasonal and interannual timescales. These problems are impacted by the quality and the method of use of the observational data and by deficiencies in the atmospheric general circulation model. Whichever the cause at any place and time, the "solution" is to introduce non-physical forcing terms into the system (the so-called incremental analysis updates); these can directly (thermal) or indirectly (mechanical) affect the residual circulation. This paper will illustrate how the divergent circulation is affected by deficiencies in both observations and models. Theoretical considerations will be illustrated with examples from the GEOS-DAS and from simplified numerical experiments. These are designed to isolate known problems, such as the inability of models to sustain a quasi-biennial oscillation and sparse observational constraints on tropical dynamics, or radiative inconsistencies in the presence of volcanic aerosols.

Pawson, Steven↗
NASA NTRS2002

On the Issue of Excess Lower Stratospheric Subtropical Transport in GEOS-DAS

In recent years, data assimilation has become an indispensable tool for our understanding of the global features of meteorological variables. However, assessments of transport characteristics using trajectory related methods as well as chemical transport models (CTMs) show that results derived from assimilated (or analyzed) winds exhibit significantly larger mixing and entrainment rates compared to results derived from GCM winds, which are closer to results derived from observations (e.g., Douglass et al., 2002; Schoeberl et al., 2002). This discrepancy presents a serious challenge to our ability to understand and model global trace gas transport and distribution. We use the GEOS-DAS to explore this issue by examining how the process of data assimilation alters the dynamics of the underlying GCM and how this leads to the excess of lower stratospheric mixing and transport in the subtropics. In particular, we show that significant model biases in tropical winds necessitate large analysis increments. These increments directly force large subtropical regions of instability with negative PV gradient on the one hand, and generate excessive noise in the tropical wind fields on the other. The result is an excess of transport in the lower stratospheric subtropics.

Tan, Wei-Wu↗
NASA NTRS1996

A New Method of Deriving Time-Averaged Tropospheric Column Ozone over the Tropics Using Total Ozone Mapping Spectrometer (TOMS) Radiances: Intercomparison and Analysis Using TRACE A Data

Error analysis of archived total 03 from total ozone mapping spectrometer (TOMS) (version 6) presented. Daily total 03 maps for the tropics, from the period October 6-21, 1992, are derived from TOMS radiances following correction for these errors. These daily maps, averaged together, show a wavelike feature, which is observed in all latitude bands, underlying sharp peaks which occur at different longitudes depending on the latitude. The wave pattern is used to derive both time-averaged stratospheric and tropospheric 03 fields. The nature of the wave pattern (stratospheric or tropospheric) cannot be determined with certainty due to missing data (no Pacific sondes, no lower stratospheric Stratospheric Aerosol and Gas Experiment (SAGE) ozone for 18 months after the Mt. Pinatubo eruption) and significant uncertainties in the corroborative satellite record in the lower stratosphere (solar backscattered ultraviolet (SBUV), microwave limb sounder (MLS)). However, the time- averaged tropospheric ozone field, based on the assumption that the wave feature is stratospheric, agrees within 10% with ultraviolet differential absorption laser Transport and Atmospheric Chemistry near the Equator-Atlantic) (TRACE A) 03 measurements from the DC-8 and with ozonesonde measurements over Brazzaville, Congo, Ascension Island, and Natal, Brazil, for the period October 6-21, 1992. The derived background (nonpolluted) Indian Ocean tropospheric ozone amount, 26 Dobson units (DU), agrees with the cleanest African ozonesonde profiles for September-October 1992. The assumption of a totally tropospheric wave (flat stratosphere) gives 38 DU above the western Indian Ocean and 15-40% disagreements with the sondes. Tropospheric column 03 is high from South America to Africa, owing to interaction of dynamics with biomass burning emissions. Comparison with fire distributions from advanced very high resolution radiometer (AVHHR) during October 1992 suggests that tropospheric 03 produced from biomass burning in South America and Africa dominates the 03 budget in the tropical southern hemisphere during the study period.

Kim, J. H.↗
DOE OSTI2020

A joint SZ–X-ray–optical analysis of the dynamical state of 288 massive galaxy clusters

In this work, we use imaging from the first three years of the Dark Energy Survey to characterize the dynamical state of 288 galaxy clusters at 0.1 ≲ z ≲ 0.9 detected in the South Pole Telescope (SPT) Sunyaev–Zeldovich (SZ) effect survey (SPT-SZ). We examine spatial offsets between the position of the brightest cluster galaxy (BCG) and the centre of the gas distribution as traced by the SPT-SZ centroid and by the X-ray centroid/peak position from Chandra and XMM data. We show that the radial distribution of offsets provides no evidence that SPT SZ-selected cluster samples include a higher fraction of mergers than X-ray-selected cluster samples. We use the offsets to classify the dynamical state of the clusters, selecting the 43 most disturbed clusters, with half of those at z ≳ 0.5, a region seldom explored previously. We find that Schechter function fits to the galaxy population in disturbed clusters and relaxed clusters differ at z > 0.55 but not at lower redshifts. Disturbed clusters at z > 0.55 have steeper faint-end slopes and brighter characteristic magnitudes. Within the same redshift range, we find that the BCGs in relaxed clusters tend to be brighter than the BCGs in disturbed samples, while in agreement in the lower redshift bin. Possible explanations includes a higher merger rate, and a more efficient dynamical friction at high redshift. The red-sequence population is less affected by the cluster dynamical state than the general galaxy population.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Gas-mediated trace element incorporation into rhyolite-hosted topaz: A synchrotron microbeam XAS study

Magmatic gas exsolving during late-stage cooling of shallow magmas has been considered an important facilitator of low-pressure alteration and metal transport. However, the chemical properties of such gas, particularly its metal transport mechanisms and capacity, remain elusive. Trace elements in minerals produced by gas-mediated surface reaction or precipitation from gas capture details of gas composition and reaction pathways. However, interpretation of mineral trace element contents is dependent on understanding crystallographic controls on gas/mineral partitioning. Here, this work investigates the structural accommodation of As, Mn, Ga, Ge, Fe, and Ti in vapor-deposited topaz of vesicular topaz rhyolite from the Thomas Range, Utah, through single-crystal synchrotron microbeam X-ray techniques on picogram quantities of those trace elements. X-ray absorption near edge structure (XANES) data indicates that these elements are incorporated into topaz as As 5+ , Fe 3+ , Mn 3+ , Ti 4+ , Ga 3+ , and Ge 4+ . Extended X-ray absorption fine structure (EXAFS) analysis for these trace elements, compared to EXAFS of structural Al and Si, reveals that As 5+ and Ge 4+ are incorporated directly into the tetrahedral site of the topaz structure, with the octahedral site accommodating Mn 3+ , Fe 3+ , Ga 3+ , and Ti 4+ . For As 5+ and Fe 3+ , the structural impact of substitution extends to at least second neighbors (other elements were only resolvable to first neighbors). Further interpretation of the EXAFS results suggests that the substitution of Ti 4+ results in increased distortion of the octahedral site, while the other trace elements induce more uniform expansion correlating in magnitude to their ionic radius. Comparison of quantified X-ray fluorescence (XRF) data for two topaz crystals from this rhyolite reveals variable trace element concentrations for As 5+ , Fe 3+ , Ga 3+ , and Ti 4+ , reflective of a source gas undersaturated in these trace elements changing in concentration over the period of topaz deposition. The identical Ge 4+ content of the two topaz crystals suggests that Ge 4+ in the gas was buffered by the growth of another Ge 4+ -bearing phase, such as quartz. The very low Mn 3+ content in the topaz crystals does not reflect the abundance of Mn 3+ in the gas (saturation of Mn is evidenced by coexisting bixbyite). Instead, it suggests a strong Jahn-Teller inhibitory effect to the substitution of Mn 3+ for Al 3+ in the distorted octahedral site of topaz. It is proposed that exsolution of an HF-enriched gas from cooling rhyolitic magma led to local scouring of Al, Si, and trace metals from the magma. Once topaz crystals nucleated, self-catalyzed reactions that recycle HF led to continued growth of topaz.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Bayesian approach to time-domain photonic Doppler velocimetry analysis

Photonic Doppler velocimetry (PDV) is an established technique for measuring the velocities of fast-moving surfaces in high-energy-density experiments. In the standard approach to PDV analysis, the short-time Fourier transform (STFT) is used to generate a spectrogram from which the velocity history of the target is inferred. The user chooses the form, duration, and separation of the window function. Here, in this study, we present a Bayesian approach to infer the velocity directly from the PDV oscilloscope trace, without using the spectrogram for analysis. This is clearly a difficult inference problem due to the highly periodic nature of the data, but we find that with carefully chosen prior distributions for the model parameters, we can accurately recover the injected velocity from synthetic data. We validate this method using PDV data collected at the STAR two-stage light gas gun at Sandia National Laboratories, recovering shock-front velocities in quartz that are consistent with those inferred using the STFT-based approach and are interpolated across regions of low signal-to-noise data. Although this method does not rely on the same user choices as the STFT, we caution that it can be prone to misspecification if the chosen model is not sufficient to capture the velocity behavior. Analysis using posterior predictive checks can be used to establish whether a better model is required, although more complex models come with additional computational cost, often taking more than several hours to converge when sampling the Bayesian posterior. We, therefore, recommend it be viewed as a complementary method to that of the STFT-based approach.

Allison, James R. [First Light Fusion Ltd., Yarnto↗
NASA NTRS1982

X-ray-imaging observations of clusters of galaxies

Einstein X-ray imaging observations, made to illustrate the variety of phenomena that can be considered through X-ray image analysis, are presented. Attention is given to general cluster properties and intracluster gas. Individual clusters are discussed (considering classification and dynamical evolution), and X-ray images are used to determine cluster mass distribution and to examine distant clusters. X-ray observations have contributed information in regard to processes affecting galaxies, the intracluster medium, and the cluster itself. Analyses have traced massive halos around dominant galaxies in unevolved clusters, and have helped define the cluster gravitational potential. In addition, multi-component double clusters have been discovered, and material which has been ram-pressure stripped from a hot corona around the M86 galaxy in Virgo was observed. Finally, quantitative estimates of the fractions of young and evolved clusters and determinations of total cluster mass are possible using X-ray observations.

Forman, W.↗
NASA NTRS1995

Airborne measurements of NO, NO2, and NO(sub y) as related to NASA's TRACE-A field program

The Georgia Tech group's effort on NASA's GTE program and TRACE-A field mission primarily involved analysis and interpretation of the measurement data base obtained during the TRACE-A field campaign. These investigations focused on the distribution of ozone and ozone precursors over the south Atlantic and nearby continental regions of Africa and South Africa. The Transport and Atmospheric Chemistry near the Equator-Atlantic (TRACE-A) Mission was designed with the goal of investigating tropospheric trace gas distributions, sources, and photochemical state over the southern Atlantic. Major scientific issues related to N(x)O(y) tropospheric chemistry addressed in this program included: (1) what controls the tropospheric ozone budget over the southern Atlantic? (2) What are the spatial distributions of CO, CO2, NO, NO2, NO(sub y), O3, NMHC, H2O3, etc. over the southern Atlantic? (3) How does long range transport of long-lived NO(y) compounds affect the more reactive NO(x) budget in southern Atlantic troposphere?

Bradshaw, John↗
NASA NTRS2013

Insights into the Sulfur Mineralogy of Martian Soil at Rocknest, Gale Crater, Enabled by Evolved Gas Analyses

The first solid samples analysed by the Chemistry and Mineralogy (CheMin) instrument and Sample Analysis at Mars (SAM) instrument suite on the Mars Science Laboratory (MSL) consisted of < 150 m fines sieved from aeolian bedform material at a site named Rocknest. All four samples of this material analyzed by SAM s evolved gas analysis mass spectrometry (EGA-MS) released H2O, CO2, O2, and SO2 (Fig. 1), as well as H2S and possibly NO. This is the first time evolved SO2 (and evolved H2S) has been detected from thermal analysis of martian materials. The identity of these evolved gases and temperature (T) of evolution can support mineral detection by CheMin and place constraints on trace volatile-bearing phases present below the CheMin detection limit or difficult to characterize with XRD (e.g., X-ray amorphous phases). Constraints on phases responsible for evolved CO2 and O2 are detailed elsewhere [1,2,3]. Here, we focus on potential constraints on phases that evolved SO2, H2S, and H2O during thermal analysis.

McAdam, A.↗
NASA NTRS2014

Hydrogen (H) Isotope Composition of Type II Kerogen Extracted by Pyrolysis-GC-MS-IRMS: Terrestrial Shale Deposits as Martian Analogs

Described here is a technique for H isotope analysis of organic compounds pyrolyzed from kerogens isolated from gas‐ and liquids‐rich shales. Application of this technique will progress the understanding of the use of H isotopes not only in potential kerogen occurrences on Mars, but also in terrestrial oil and gas resource plays. H isotope extraction and analyses were carried out utilizing a CDS 5000 Pyroprobe connected to a Thermo Trace GC interfaced with a Thermo MAT 253 IRMS. Also, a split of GC‐separated products was sent to a DSQ II quadrupole MS to make qualitative and semi‐quantitative compositional measurements of these products. Kerogen samples from five different basins (type II and II‐S) were dehydrated (heated to 80 C overnight under vacuum) and analyzed for their H isotope compositions by Pyrolysis‐GC‐MS‐TC‐IRMS. This technique takes pyrolysis products separated via GC and reacts them in a high temperature conversion furnace (1450 C), which quantitatively forms H2. Samples ranging from ~0.5 to 1.0mg in size, were pyrolyzed at 800 C for 30s. and separated on a Poraplot Q GC column. H isotope data from all kerogen samples typically show enrichment in D from low to high molecular weight. H2O average delta D = ‐215.2 per mille (V‐SMOW), ranging from ‐ 271.8 per mille for the Marcellus Shale to ‐51.9 per mille for a Polish shale. Higher molecular weight compounds like toluene (C7H8) have an average delta D of ‐89.7 per mille, ranging from ‐156.0 per mille for the Barnett Shale to ‐50.0 per mille for the Monterey Shale. We interpret these data as representative of potential H isotope exchange between hydrocarbons and sediment pore water during basin formation. Since hydrocarbon H isotopes readily exchange with water, these data may provide some useful information on gas‐water or oil‐water interaction in resource plays, and further as a possible indicator of paleoenvironmental conditions. Alternatively, our data may be an indication of H isotope exchange with water and/or acid during the kerogen isolation process. Either of these interpretations will prove useful when deciphering H isotope data derived from kerogen analyses. Understanding the role that these H‐bearing compounds play in terrestrial shale paleo‐environmental reconstruction may also prove useful as analogs for understanding the interactions of water and potential kerogen/organic compounds on the planet Mars.

Socki, Richard A.↗