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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Targeted detection of Dehalococcoides mccartyi microbial protein biomarkers as indicators of reductive dechlorination activity in contaminated groundwater

Dehalococcoides mccartyi ( Dhc ) bacterial strains expressing active reductive dehalogenase (RDase) enzymes play key roles in the transformation and detoxification of chlorinated pollutants, including chlorinated ethenes. Site monitoring regimes traditionally rely on qPCR to assess the presence of Dhc biomarker genes; however, this technique alone cannot directly inform about dechlorination activity. To supplement gene-centric approaches and provide a more reliable proxy for dechlorination activity, we sought to demonstrate a targeted proteomics approach that can characterize Dhc mediated dechlorination in groundwater contaminated with chlorinated ethenes. Targeted peptide selection was conducted in axenic cultures of Dhc strains 195, FL2, and BAV1. These experiments yielded 37 peptides from housekeeping and structural proteins (i.e., GroEL, EF-TU, rpL7/L2 and the S-layer), as well as proteins involved in the reductive dechlorination activity (i.e., FdhA, TceA, and BvcA). The application of targeted proteomics to a defined bacterial consortium and contaminated groundwater samples resulted in the detection of FdhA peptides, which revealed active dechlorination with Dhc strain-level resolution, and the detection of RDases peptides indicating specific reductive dechlorination steps. The results presented here show that targeted proteomics can be applied to groundwater samples and provide protein level information about Dhc dechlorination activity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Sources, seasonal cycling, and fate of plutonium in a seasonally stratified and radiologically contaminated pond

Unlike short-term laboratory experiments, studies at sites historically contaminated with radionuclides can provide insight into contaminant migration behavior at environmentally-relevant decadal timescales. One such site is Pond B, a seasonally stratified reservoir within Savannah River Site (SC, USA) has low levels (μBq L –1 ) of plutonium in the water column. Here, we evaluate the origin of plutonium using high-precision isotope measurements, investigate the impact of water column geochemistry on plutonium cycling during different stratification periods, and re-evaluate long-term mass balance of plutonium in the pond. New isotopic data confirm that reactor-derived plutonium overwhelms input from Northern Hemisphere fallout at this site. Two suggested mechanisms for observed plutonium cycling in the water column include: (1) reductive dissolution of sediment-derived Fe(III)-(oxyhydr)oxides during seasonal stratification and (2) plutonium stabilization complexed strongly to Fe(III)-particulate organic matter (POM) complexes. While plutonium may be mobilized to a limited extent by stratification and reductive dissolution, peak plutonium concentrations are in shallow waters and associated with Fe(III)-POM at the inception of stratification. This suggests that plutonium release from sediments during stratification is not the dominant mechanism driving plutonium cycling in the pond. Importantly, our analysis suggests that the majority is retained in shallow sediments and may become increasingly recalcitrant.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Sulfate radical oxidation of aromatic contaminants: a detailed assessment of density functional theory and high-level quantum chemical methods

We present that advanced oxidation processes that utilize highly oxidative radicals are widely used in water reuse treatment. In recent years, the application of sulfate radical (SO 4 ˙ - ) as a promising oxidant for water treatment has gained increasing attention. To understand the efficiency of SO 4 ˙ - in the degradation of organic contaminants in wastewater effluent, it is important to be able to predict the reaction kinetics of various SO 4 ˙ - -driven oxidation reactions. In this study, we utilize density functional theory (DFT) and high-level wavefunction-based methods (including computationally-intensive coupled cluster methods), to explore the activation energies of SO 4 ˙ - -driven oxidation reactions on a series of benzene-derived contaminants. Additionally, these high-level calculations encompass a wide set of reactions including 110 forward/reverse reactions and 5 different computational methods in total. Based on the high-level coupled-cluster quantum calculations, we find that the popular M06-2X DFT functional is significantly more accurate for OH - additions than for SO 4 ˙ - reactions. Most importantly, we highlight some of the limitations and deficiencies of other computational methods, and we recommend the use of high-level quantum calculations to spot-check environmental chemistry reactions that may lie outside the training set of the M06-2X functional, particularly for water oxidation reactions that involve SO 4 ˙ - and other inorganic species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Facet-Dependent Contaminant Removal Properties of Hematite Nanocrystals and Their Environmental Implications

Hematite nanocrystals are ubiquitous in natural environments, and because of their strong sorption properties these particles can influence the mobility and fate of toxic elements such as hexavalent chromium and arsenic. It is now well established that sorption onto hematite is morphology dependent, because its hexagonal structure imparts distinct interfacial chemistry to individual facets. It is also well known that interaction of these facets with ferrous iron can impart powerful catalytic reduction capacity at these interfaces. However, the underlying mechanisms for facet-specific sorption and reductive transformation of specific metals remains poorly understood at the molecular scale. In this article, we first briefly review the synthesis of size and morphologically well-defined hematite nanocrystals and their corresponding growth mechanisms. We then summarize recent advances in understanding interactions between hematite facets and ferrous iron, as well as their impact on the geochemical cycling of redox-active elements and contaminants. We emphasize the reductive dissolution of hematite facets and elucidate corresponding environmental implications. Furthermore, we focus on facet-dependent adsorption of model environmental contaminants. Finally, we highlight the importance of hematite nanocrystals for remediation and provide suggestions for improving understanding of their roles in the environment.

Huang, Xiaopeng↗
DOE OSTI2015

Removal of carbon contaminations by RF plasma generated reactive species and subsequent effects on optical surface

Carbon contamination on optical elements is a serious issue in synchrotron beam lines for several decades. The basic mechanism of carbon deposition on optics and cleaning strategies are not fully understood. Carbon growth mechanism and optimized cleaning procedures are worldwide under development stage. Optimized RF plasma cleaning is considered an active remedy for the same. In present study carbon contaminated optical test surfaces (carbon capped tungsten thin film) are exposed for 30 minutes to four different gases, rf plasma at constant power and constant dynamic pressure. Structural characterization (thickness, roughness and density) of virgin samples and plasma exposed samples was done by soft x-ray (λ=80 Å) reflectivity measurements at Indus-1 reflectivity beam line. Different gas plasma removes carbon with different rate (0.4 to 0.65 nm /min). A thin layer 2 to 9 nm of different roughness and density is observed at the top surface of tungsten film. Ar gas plasma is found more suitable for cleaning of tungsten surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Preliminary study on detection sediment contamination in soil affected by the Indian Ocean giant tsunami 2004 in Aceh, Indonesia using laser-induced breakdown spectroscopy (LIBS)

This work is intended to asses the capability of LIBS for the detection of the tsunami sediment contamination in soil. LIBS apparatus used in this work consist of a laser system and an optical multichannel analyzer (OMA) system. The soil sample was collected from in Banda Aceh City, Aceh, Indonesia, the most affected region by the giant Indian Ocean tsunami 2004. The laser beam was focused onto surface of the soil pellet using a focusing lens to produce luminous plasma. The experiment was conducted under air as surrounding gas at 1 atmosphere. The emission spectral lines from the plasma were detected by the OMA system. It was found that metal including heavy metals can surely be detected, thus implying the potent of LIBS technique as a fast screening tools of tsunami sediment contamination.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Synchrotron radiation-induced contamination on LiF window: Characterization by Raman spectroscopy

Characterization of synchrotron induced contamination on optical elements and their cleaning are serious issues in beam lines. We used Raman spectroscopy for characterization of synchrotron induced contamination layer on LiF window (used in high resolution vacuum ultra violet beam line). Three peaks at 1035 cm{sup −1} (corresponding to C-C sp{sup 3} vibrations), 1563 cm{sup −1} and 1375 cm{sup −1} (corresponding to G and D bands of carbon) are observed. By data fitting I(D)/I(G) ratio (0.84) and FWHM(G)=124 cm{sup −1} was obtained. Comparison with available literature indicates that the carbon might be present in the form of rings of hydrogenated amorphous carbon a-C:H (GLHC) with atomic hydrogen concentration about 15% with both sp{sup 2} and sp{sup 3} hybridization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Characterization of chemical contaminants and their spectral properties from an atmospheric pressure ns-pulsed microdischarge in neon

Portable applications of microdischarges will mandate operation in the presence of contaminant species. This paper examines the temporal evolution of microdischarge optical and ultraviolet emissions during pulsed operation by experimental methods. By varying the pulse length of a microdischarge initiated in a 4-­hole silicon microcavity array operating in a 655 Torr ambient primarily composed of Ne, we were able to measure the emission growth rates for different contaminant species native to the discharge environment as a function of pulse length. It was found that emission from hydrogen and oxygen impurities demonstrated similar rates of change, while emissions from molecular and atomic nitrogen, measured at 337.1 and 120 nm’s respectively, exhibited the lowest rate of change. We conclude that it is likely that O 2 undergoes the same resonant energy transfer process between rare gas excimers that has been shown for H 2 . Further, efficient resonant processes were found to be favored during ignition and extinction phases of the pulse, while emission at the 337.1 nm line from N 2 was favored during the intermediate stage of the plasma. In addition to experimental results, a zero-­dimensional analysis is also presented to further understand the nature of the microdischarge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Nature of contaminants introduced in silicon wafers during molecular beam epitaxy chamber annealing

Epitaxial monolithic III–V/Si tandem solar cells are one of the most promising technologies to be adopted by the industry after the efficiency of the current market dominating single junction silicon solar cell saturates at its fundamental limit. One of the key limitations of this technology is the degradation of silicon wafers during in situ annealing in the molecular beam epitaxy chamber. Determining the nature of contaminants in this process is key to improve the efficiency of epitaxial tandem solar cells. However, to date, the nature of contaminants from molecular beam epitaxy chambers remains unknown. In this work, we use photoluminescence imaging, lifetime spectroscopy, and deep level transient spectroscopy to measure the electronic properties of extrinsic impurities incorporated during annealing in the molecular beam epitaxy chamber. Photoluminescence images reveal that at least two impurities diffuse into silicon wafers during molecular beam epitaxy annealing. One is highly localized, while the other one is distributed uniformly across the whole wafer. Phosphorus diffusion is found to confine the localized impurity within the diffused layer but is ineffective at preventing the indiffusion of other impurities. Lifetime spectroscopy shows that metastable impurities with characteristic similar to Cr and CrB in our molecular beam epitaxy annealed silicon wafers. No evidence of Fe or FeB was observed. The emission rates and concentrations of the electrically active defects were measured with deep-level transient spectroscopy: The emission rates of detected defects do not match that of known Cr-related defects.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Quantification and purification of isotopic contamination at the ReAccelerator of the Facility for Rare Isotope Beams

At the ReAccelerator within the Facility for Rare Isotope Beams, a combination of an interchangeable aluminum foil and a silicon detector was developed to quantify isobaric contamination in rare isotope beams. The device is simple to operate and is now used routinely. In this article, we describe the system and show an application of the device to determine the level of contamination of an Si-32 rare isotope beam by stable S-32. In addition, we describe how the new diagnostic device helped confirm an enhancement of the beam purity prior to beam delivery to experiments.

Instruments & Instrumentation↗
DOE OSTI2019

Impact of nano iron and manganese metal-oxides on contaminant interaction and micronutrient uptake in agricultural systems – a review

Rising population growth and increase global food demand has made meeting the demands of food production and security a major challenge world-wide. Nanotechnology has become a remediation strategy of interest as a sustainable tool in agricultural systems, where it aims to increase efficiency in techniques such as food monitoring, pathogen control, water treatment, and targeted delivery of agrochemicals. In addition to these platforms, nanoparticles, such as nano metal-oxides, have been engineered to act as contaminant scavengers and could be applied to wide range of systems. Numerous studies have looked at scavenging ability of nano metal-oxides (NMOs) but few have looked at them in agricultural and food systems. In this review, we specifically address previous research that has used nano Fe and Mn oxides in agricultural systems, particularly world-wide crop production of four major staple foods – rice, wheat, maize, and soybean. Nano Fe and Mn oxides are strong candidates for immobilization of agricultural contaminants in soils and, because they are naturally ubiquitous, have the potential to be a cost-effective and sustainable technology compared to other remediation strategies.

Gillispie, Elizabeth C.↗
DOE OSTI2015

MODELING THE ANOMALY OF SURFACE NUMBER DENSITIES OF GALAXIES ON THE GALACTIC EXTINCTION MAP DUE TO THEIR FIR EMISSION CONTAMINATION

The most widely used Galactic extinction map is constructed assuming that the observed far-infrared (FIR) fluxes come entirely from Galactic dust. According to the earlier suggestion by Yahata et al., we consider how FIR emission of galaxies affects the SFD map. We first compute the surface number density of Sloan Digital Sky Survey (SDSS) DR7 galaxies as a function of the r-band extinction, A {sub r,} {sub SFD}. We confirm that the surface densities of those galaxies positively correlate with A {sub r,} {sub SFD} for A {sub r,} {sub SFD} < 0.1, as first discovered by Yahata et al. for SDSS DR4 galaxies. Next we construct an analytical model to compute the surface density of galaxies, taking into account the contamination of their FIR emission. We adopt a log-normal probability distribution for the ratio of 100 μm and r-band luminosities of each galaxy, y ≡ (νL){sub 100} {sub μm}/(νL) {sub r}. Then we search for the mean and rms values of y that fit the observed anomaly, using the analytical model. The required values to reproduce the anomaly are roughly consistent with those measured from the stacking analysis of SDSS galaxies. Due to the limitation of our statistical modeling, we are not yet able to remove the FIR contamination of galaxies from the extinction map. Nevertheless, the agreement with the model prediction suggests that the FIR emission of galaxies is mainly responsible for the observed anomaly. Whereas the corresponding systematic error in the Galactic extinction map is 0.1-1 mmag, it is directly correlated with galaxy clustering and thus needs to be carefully examined in precision cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A COMPREHENSIVE STUDY OF DETECTABILITY AND CONTAMINATION IN DEEP RAPID OPTICAL SEARCHES FOR GRAVITATIONAL WAVE COUNTERPARTS

The first direct detection of gravitational waves (GWs) by the ground-based Advanced LIGO/Virgo interferometers is expected to occur within the next few years. These interferometers are designed to detect the mergers of compact object binaries composed of neutron stars and/or black holes to a fiducial distance of ∼200 Mpc and a localization region of ∼100 deg{sup 2}. To maximize the science gains from such GW detections it is essential to identify electromagnetic counterparts. Among the wide range of proposed counterparts, the most promising is optical/IR emission powered by the radioactive decay of r-process elements synthesized in the neutron-rich merger ejecta—a “kilonova.” Here we present detailed simulated observations that encompass a range of strategies for kilonova searches during GW follow-up. We utilize these simulations to assess both the detectability of kilonovae and our ability to distinguish them from a wide range of contaminating transients in the large GW localization regions. We find that if pre-existing deep template images for the GW localization region are available, then nightly observations to a depth of i ≈ 24 mag and z ≈ 23 mag are required to achieve a 95% detection rate; observations that commence within ∼12 hr of trigger will also capture the kilonova peak and provide stronger constraints on the ejecta properties. We also find that kilonovae can be robustly separated from other known and hypothetical types of transients utilizing cuts on color (i − z ≳ 0.3 mag) and rise time (t{sub rise} ≲ 4 days). In the absence of a pre-existing template the observations must reach ∼1 mag deeper to achieve the same kilonova detection rate, but robust rejection of contaminants can still be achieved. Motivated by the results of our simulations we discuss the expected performance of current and future wide-field telescopes in achieving these observational goals, and find that prior to LSST the Dark Energy Camera on the Blanco 4 m telescope and Hyper Suprime-Cam on the Subaru 8 m telescope offer the best potential for kilonova discovery.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Subsurface landfill leachate contamination affects microbial metabolic potential and gene expression in the Banisveld aquifer

Microbial communities in groundwater ecosystems can develop the capacity to degrade complex mixtures of chemicals resulting from pollution by landfill leachate. Monitoring this natural attenuation requires insight into the metabolic potential and activity of microbial communities. We contrasted the metagenomes and metatranscriptomes from a leachate-polluted aquifer downstream of the Banisveld (the Netherlands) landfill with uncontaminated groundwater, which revealed changes in microbial genomic content and activity. Banisveld landfill leachate contains mono-aromatic hydrocarbons and the assessment of natural attenuation of these compounds in the aquifer had been a focal point of research. In the contaminated groundwater, active microbial functions were the ones involved in degradation of complex carbon substrates and organic pollutants. We found that benzylsuccinate synthase genes-involved in the catabolism of toluene-were highly expressed close to the source of contamination, confirming the ongoing natural attenuation of organic mono-aromatic hydrocarbon pollution in this aquifer. Additionally, metatranscriptomes were indicative of phosphorus limitation that can constrain total microbial activity and agree with the low phosphate concentrations (<0.4 μmol/L) in this aquifer. Through the application of metagenomics and metatranscriptomics, we were able to determine functional potential and expression patterns to assess the natural attenuation processes and constraints on microbial communities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Mitigating contamination in LSS surveys: a comparison of methods

ABSTRACT Future large-scale structure surveys will measure the locations and shapes of billions of galaxies. The precision of such catalogues will require meticulous treatment of systematic contamination of the observed fields. We compare several existing methods for removing such systematics from galaxy clustering measurements. We show how all the methods, including the popular pseudo-Cℓ Mode Projection and Template Subtraction methods, can be interpreted under a common regression framework and use this to suggest improved estimators. We show how methods designed to mitigate systematics in the power spectrum can be used to produce clean maps, which are necessary for cosmological analyses beyond the power spectrum, and we extend current methods to treat the next-order multiplicative contamination in observed maps and power spectra, which reduced power spectrum errors from $\Delta \chi ^2_{\rm C_\ell }\simeq 10$ to ≃ 1 in simulated analyses. Two new mitigation methods are proposed, which incorporate desirable features of current state-of-the-art methods while being simpler to implement. Investigating the performance of all the methods on a common set of simulated measurements from Year 5 of the Dark Energy Survey, we test their robustness to various analysis cases. Our proposed methods produce improved maps and power spectra when compared to current methods, while requiring almost no user tuning. We end with recommendations for systematics mitigation in future surveys, and note that the methods presented are generally applicable beyond the galaxy distribution to any field with spatial systematics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

A new RASS galaxy cluster catalogue with low contamination extending to z ∼ 1 in the DES overlap region

ABSTRACT We present the MARD-Y3 catalogue of between 1086 and 2171 galaxy clusters (52 per cent and 65 per cent new) produced using multicomponent matched filter (MCMF) follow-up in 5000 deg2 of DES-Y3 optical data of the ∼20 000 overlapping ROSAT All-Sky Survey source catalogue (2RXS) X-ray sources. Optical counterparts are identified as peaks in galaxy richness as a function of redshift along the line of sight towards each 2RXS source within a search region informed by an X-ray prior. All peaks are assigned a probability fcont of being a random superposition. The clusters lie at 0.02 < z < 1.1 with more than 100 clusters at z > 0.5. Residual contamination is 2.6 per cent and 9.6 per cent for the cuts adopted here. For each cluster we present the optical centre, redshift, rest frame X-ray luminosity, M500 mass, coincidence with NWAY infrared sources, and estimators of dynamical state. About 2 per cent of MARD-Y3 clusters have multiple possible counterparts, the photo-z’s are high quality with σΔz/(1 + z) = 0.0046, and ∼1 per cent of clusters exhibit evidence of X-ray luminosity boosting from emission by cluster active galactic nuclei. Comparison with other catalogues (MCXC, RM, SPT-SZ, Planck) is performed to test consistency of richness, luminosity, and mass estimates. We measure the MARD-Y3 X-ray luminosity function and compare it to the expectation from a fiducial cosmology and externally calibrated luminosity- and richness–mass relations. Agreement is good, providing evidence that MARD-Y3 has low contamination and can be understood as a simple two step selection – X-ray and then optical – of an underlying cluster population described by the halo mass function.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Dosimetry and cancer risk estimations for different radiation protection solutions at decommissioning a contaminated nuclear power plant site

Contaminated sediments originating from dredging activities in a nuclear power plant site were placed in a pond, which has to be taken into consideration during the future decommissioning process. The sediments have to be handled to free release the site. The radionuclides Co-60 and Cs-137 were identified and the activity concentrations (Bq/kg) were quantified in the range of 10–6000 and 5–50 Bq kg -1 , respectively. The absorbed dose rate to individuals of various ages and sex present at the site of the dry pond area was estimated. The radiological impact in terms of lifetime attributable risk (LAR) and effective dose were calculated. For a 30-year-old male exposed during one year without any action regarding the sediments in the dried out pond, the LAR was predicted to be 0.0027, which recalculated to effective dose corresponds to 7.6 mSv year -1 . The calculations show that countermeasures will be needed for the contaminated site.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2017

Analysis of urinary excretion data from three plutonium-contaminated wounds at Los Alamos National Laboratory

The NCRP-156 Report proposes seven different biokinetic models for the wound cases depending on the physicochemistry of the contaminant. Because the models were heavily based on experimental animal data, the authors of the report encouraged application and validation of the models using bioassay data from actual human exposures. Each of the wound models was applied to three plutonium-contaminated wounds, and the models resulted in a good agreement to only one of the cases. We then applied a simpler biokinetic model structure to the bioassay data and showed that fitting the transfer rates from this model structure yielded better agreement with the data than does the best-fitting NCRP-156 model. Because the biokinetics of radioactive material in each wound is different, it is impractical to propose a discrete set of model parameters to describe the biokinetics of radionuclides in all wounds, and thus each wound should be treated empirically.

61 RADIATION PROTECTION AND DOSIMETRY↗