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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Design and Growth of Novel Compounds for Radiation Sensors: Multinary Chalcogenides

Increasing threats of radiological weapons have revitalized the researches for low cost large volume -ray and neutron ray sensors In the past few years we have designed and grown ternary and quaternary lead and thallium chalcogenides and lead selenoiodides for detectors to meet these challenges. These materials are congruent, can be tailored to enhance the parameters required for radiation sensors. In addition, this class of compounds can be grown by Bridgman method which promises for large volume productions. We have single crystals of several compounds from the melt including Tl3AsSe3, Tl3AsSe3-xSx, TlGaSe2, AgGaGe3Se8, AgxLi1-xAgGaGe3Se8 and PbTlI5-x Sex compounds. Experimental studies indicate that these have very low absorption coefficient, low defect density and can be fabricated in any shape and sizes. These crystals do not require post growth annealing and do not show any second phase precipitates when processed for electrode bonding and other fabrication steps. In this paper we report purification, growth and fabrication of large Tl3AsSe3 (TAS) crystals. We observed that TAS crystals grown by using further purification of as supplied high purity source materials followed by directionally solidified charge showed higher resistivity than previously reported values. TAS also showed constant value as the function of voltage. A low thermal gradient and high purity source material were used to reduce thermal stresses in large crystals. By improving the purification of the as supplied source materials very high quality thallium, selenium and arsenic was achieved for preparing stoichiometric Tl3AsSe3 compound. Low gradient (<20K/cm) and slow growth rate (1-2 cm/day) produced crystals with reduced stress. Crystals did not show any micro cracking during fabrication of crystals grown with high purity and at low thermal gradient. Since thallium is a major component and very sensitive to surface oxidation, removal of surface and bulk oxides is very important. Intentional increase in the growth rate from 1cm/day to higher speed (>5cm/day) showed very different morphologies on the surface of the crystals. Electrical resistivity was one order of magnitude higher than previously reported value and it was observed to be constant as the function of frequency.

Singh, N. B.↗
NASA NTRS2003

Compaction agent clarification of microbial lysates

Recombinant proteins are often purified from microbial lysates containing high concentrations of nucleic acids. Pre-purification steps such as nuclease addition or precipitation with polyethyleneimine or ammonium sulfate are normally required to reduce viscosity and to eliminate competing polyanions before anion exchange chromatography. We report that small polycationic compaction agents such as spermine selectively precipitate nucleic acids during or after Escherichia coli lysis, allowing DNA and RNA to be pelleted with the insoluble cell debris. Analysis by spectrophotometry and protein assay confirmed a significant reduction in the concentration of nucleic acids present, with preservation of protein. Lysate viscosity is greatly reduced, facilitating subsequent processing. We have used 5mM spermine to remove nucleic acids from E. coli lysate in the purification of a hexahistidine-tagged HIV reverse transcriptase.

NASA Discipline Environmental Health↗
DOE OSTI2015

Radiopure metal-loaded liquid scintillator

Metal-loaded liquid scintillator plays a key role in particle and nuclear physics experiments. The applications of metal ions in various neutrino experiments and the purification methods for different scintillator components are discussed in this paper.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Removing chiral contamination of lactate solutions by selective metabolism of the D-enantiomer

A bio-based process is appealing for purification of L-lactic acid, the major enantiomer of polylactic acid syrup, generated by thermochemical processes at the end of life of PLA-based plastics, from its chiral impurity, d-lactic acid, before reuse. Polylactic acid (PLA), a renewable alternative to petroleum-derived plastics, contains a mixture of l- and d-lactic acid (LA) isomers with the l-isomer dominating (up to 95 %). A novel bio-based process was developed to produce chirally pure l-LA from syrup produced during recycling of PLA-plastics. This process utilizes an engineered Escherichia coli (strain DC1001) containing novel gene deletions (lld, ykg) that eliminated the oxidative metabolism of L-lactate, leaving the membrane-bound d-lactate dehydrogenases to selectively metabolize the d-isomer. Strain DC1001 removed 8.7 g d-lactate l –1 from a PLA-syrup containing 135 g total lactic acid l –1 in 24 h. Average rates of removal of D-lactic acid were 0.25 g D-lactate h –1 (g cell dry weight) –1 and 0.36 g D-lactate l –1 h –1 . Bio-based purification of PLA-syrup utilizing E. coli strain DC1001 is an attractive process step during recycling of PLA-plastics. Here, this selective oxidation process can also be used to remove chiral contamination of L-lactate in medical applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Chitosan based composite sorbents for arsenic removal

The possibilities of using chitosan and its composites with transition metal oxides for arsenic removal from solutions with low concentrations are discussed. Methods for the formation of composite sorbents based on chitosan and molybdenum in a composition with a carbon fiber providing improved physical and chemical properties with respect to the recovered component are considered. The sorption properties of the obtained materials under dynamic conditions for the purification of solutions from arsenic are compared. It is shown that the preliminary modification of the carbon fiber with chitosan by ionic gelation using sulfate ion and then by adsorption with molybdate ion leads to the production of an efficient sorption material that provides the purification of 1600 column volumes of an arsenic solution at an initial concentration of 105 μg L{sup –1} to a maximum permissible concentration of 50 μg L{sup –1}. The calculation methods show that the gel ability of sulfate and molybdate ions is approximately the same.

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

CFD Modeling of Boron Removal from Liquid Silicon with Cold Gases and Plasma

The present study focuses on a specific step of the metallurgical path of purification to provide solar-grade silicon: the removal of boron through the injection of H{sub 2}O(g)-H{sub 2}(g)-Ar(g) (cold gas process) or of Ar-H{sub 2}-O{sub 2} plasma (plasma process) on stirred liquid silicon. We propose a way to predict silicon and boron flows from the liquid silicon surface by using a CFD model (©Ansys Fluent) combined with some results on one-dimensional diffusive-reactive models to consider the formation of silica aerosols in a layer above the liquid silicon. The comparison of the model with experimental results on cold gas processes provided satisfying results for cases with low and high concentrations of oxidants. This confirms that the choices of thermodynamic data of HBO(g) and the activity coefficient of boron in liquid silicon are suitable and that the hypotheses regarding similar diffusion mechanisms at the surface for HBO(g) and SiO(g) are appropriate. The reasons for similar diffusion mechanisms need further enquiry. We also studied the effect of pressure and geometric variations in the cold gas process. For some cases with high injection flows, the model slightly overestimates the boron extraction rate, and the overestimation increases with increasing injection flow. A single plasma experiment from SIMaP (France) was modeled, and the model results fit the experimental data on purification if we suppose that aerosols form, but it is not enough to draw conclusions about the formation of aerosols for plasma experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Passivation Threshold for the Oxidation of Liquid Silicon and Thermodynamic Non-equilibrium in the Gas Phase

The present study focuses on a specific step of the metallurgical path of purification to provide solar-grade silicon: the removal of boron through the injection of H{sub 2}O(g)-H{sub 2}(g)-Ar(g) (cold gas process). A progressive increase of the oxidant H{sub 2}O(g) concentration at injection increases the speed of the process until a silica layer appears at the surface of the liquid silicon to be purified. It then stops the purification. During the process, silica aerosols may form in the gas boundary layer. This modifies the flows of oxidants and the gas concentrations at the liquid silicon surface. Using a monodimensional model, this article shows that a hypothesis of thermodynamic equilibrium of silica aerosols with the gas phase in the boundary layer has to be dropped in order to explain the appearance of a silica passivating layer. The passivation threshold is defined as the limit concentration of the oxidant at the injection below which there is no silica on the liquid silicon surface and beyond which silica particles appear on the liquid silicon surface. Three experiments of estimation of the passivation threshold with the injection of water vapor are used to confirm an empirical criterion for the prediction of the appearance of the silica layer. Two other sets of experiments with the injection of Ar-O{sub 2} are also being studied where the kinetics of the formation of silica aerosols seems to be slower than when water vapor is used. An optimization of the speed of boron removal under the assumption of a maximal concentration of water vapor before the appearance of a passivating silica layer would require an increase of the liquid silicon surface temperature from the fusion temperature of silicon.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Filamentous fungal-specific septin AspE is phosphorylated in vivo and interacts with actin, tubulin and other septins in the human pathogen Aspergillus fumigatus

Highlights: ► In vivo interactions of the novel septin AspE were identified by GFP-Trap® affinity purification. ► Septins AspA, AspB, AspC and AspD interacted with AspE in vivo. ► Actin and tubulin interacted with AspE in vivo. ► AspE is phosphorylated at six serine residues in vivo. -- Abstract: We previously analyzed the differential localization patterns of five septins (AspA–E), including a filamentous fungal-specific septin, AspE, in the human pathogen Aspergillus fumigatus. Here we utilized the A. fumigatus strain expressing an AspE–EGFP fusion protein and show that this novel septin with a tubular localization pattern in hyphae is phosphorylated in vivo and interacts with the other septins, AspA, AspB, AspC and AspD. The other major proteins interacting with AspE included the cytoskeletal proteins, actin and tubulin, which may be involved in the organization and transport of the septins. This is the first report analyzing the phosphorylation of AspE and localizing the sites of phosphorylation, and opens opportunities for further analysis on the role of post-translational modifications in the assembly and organization of A. fumigatus septins. This study also describes the previously unknown interaction of AspE with the actin-microtubule network. Furthermore, the novel GFP-Trap® affinity purification method used here complements widely-used GFP localization studies in fungal systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Highly efficient, rapid, and concurrent removal of toxic heavy metals by the novel 2D hybrid LDH–[Sn 2 S 6 ]

According to a United Nations report, by 2050 nearly six billion people worldwide will suffer from clean water scarcity. This is mostly because of the exponential proliferation of world population, urbanization, industrialization, and water pollution. Heavy metals are common water pollutants that can pose grave public health consequences. Existing water purification systems are lack of materials that have the potential for quick, simultaneous, efficient, and cost-efficient removal of numerous toxic metals from wastewater. Here, in this work, we report the design and synthesis of an economically viable Layered Double Hydroxides - Stannic Sulfide, LDH–[Sn 2 S 6 ] that exhibits a rapid, efficient, selective, and concurrent removal of Cu 2+ , Ag + , Cd 2+ , Pb 2+ , and Hg 2+ from parts per million (ppm) level to below 5 parts per billion (ppb) satisfying World Health Organization’s (WHO) safe drinking water limit. Moreover, LDH–[Sn 2 S 6 ] shows exceptionally high removal efficiencies of the above metals in acidic, neutral, and basic conditions. LDH–[Sn 2 S 6 ] also demonstrates enormous sorption capacities of 378, 978, 332, 579, and 666 mg/g for Cu 2+ , Ag + , Cd 2+ , Pb 2+ , and Hg 2+ , respectively. Remarkably, LDH–[Sn 2 S 6 ] displays extraordinary tolerance to the concentrations of Na + , Ca 2+ , Mg 2+ , Cl - , CO 3 2– , NO 3 – ,and SO 4 2- , and other constituents in tap and river water, it efficiently sequestrates Cu 2+ , Ag + , Cd 2+ , Pb 2+ , and Hg 2+ from ppm to safe drinking water levels in minutes. LDH–[Sn 2 S 6 ] shows pseudo-second-order sorption kinetics suggesting chemisorption adsorption mechanism involving M–S bonding. Altogether, the regeneratable LDH–[Sn 2 S 6 ] becomes an exceptional material that shows ultrahigh removal, unprecedented selectivity, rapid adsorption kinetics, wide pH stability, and a massive adsorption capacity. The integration of these features places LDH–[Sn 2 S 6 ] at the top of all adsorbents known to date and thus could be used for wastewater purifications.

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

Metal organic framework membranes for carbon dioxide separation

This paper reviews research progress on metal organic framework membranes which have demonstrated ability to separate carbon dioxide from different light gases. We focus on CO₂/N₂, CO₂/CH₄, and CO₂/H₂, gas separations which are highly relevant compositions in flue gas treatment, natural gas purification, and hydrogen purification, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

The experimental study of the effect of microwave on the physical properties of multi-walled carbon nanotubes

Highlights: • We study the microwave effect on the multi-walled carbon nanotubes (MWCNTs). • We examine the non uniform heating effect on the physical structure of MWCNTs. • We examine the purification of MWCNTs by microwave. • We analyze the thermal characteristics of microwave treated MWCNTs. - Abstract: This paper reports the effect of microwave on the physical properties of multi-walled carbon nanotubes (MWCNTs) where different power levels of microwave were applied on MWCNTs in order to apprehend the effect of microwave on MWCNTs distinctly. A low energy ball milling in aqueous circumstance was also applied on both MWCNTs and microwave treated MWCNTs. Temperature profile, morphological analysis by field emission scanning electron microscopy (FESEM), defect analysis by Raman spectroscopy, thermal conductivity, thermal diffusivity as well as heat transfer coefficient enhancement ratio were studied which expose some strong witnesses of the effect of microwave on the both purification and dispersion properties of MWCNTs in base fluid distilled water. The highest thermal conductivity enhancement (6.06% at 40 °C) of MWCNTs based nanofluid is achieved by five minutes microwave treatment as well as wet grinding at 500 rpm for two hours.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Enhancement of electrical parameters in solar grade monocrystalline silicon by external gettering through sacrificial silicon nanowire layer

Highlights: • Silicon nanowire-based gettering process decreases the metallic impurity concentration. • Gettering process ameliorates the transport parameters of silicon substrates. • The electrical properties of silicon solar cells are significantly improved. - Abstract: In this work, we report a simple and efficient purification technique of solar grade silicon wafers suitable for high efficiency and low-cost silicon solar cells. This gettering method requires the elaboration of silicon nanowire thin layer followed by an annealing treatment and removing impurity loaded silicon nanowires. ICP-AES analysis shows a significant decrease in the metallic impurity concentration resulting considerable enhancement in the silicon purity grade. Electrical characterizations reveal a global decrease of the majority carrier concentration and a substantial improvement of the minority carrier lifetime. Furthermore, the application of this novel gettering process induces an enhancement in the silicon solar cell electrical parameters. These results give evidence of the effectiveness of the proposed purification method to produce efficient solar cells starting from low-quality silicon wafers.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Enhanced photocatalytic treatment of Cr(VI) and phenol by monoclinic BiVO4 with {010}-orientation growth

Highlights: • Removal of Cr(VI) and phenol in wastewater was greatly improved. • The reduction and oxidation processes were enhanced on {010} and {110} facets. • The selective transfer of charge carriers enhanced their separation. - Abstract: Photocatalytic technology has unique advantages in the purification of organic wastewater containing chromium(VI). Simultaneously photodegradation efficiency of Cr(VI) and phenol was significantly enhanced over BiVO{sub 4} with {010}-oriented growth. In this study, the effect of pH values in photoreduction of Cr(VI) and concentrations of phenol in the simultaneous photocatalytic reaction process were systematically analyzed based on characterizations about material physical properties. The results suggested that the enhanced photocatalytic activity over {010}-oriented BiVO{sub 4} was attributed to sufficient utilization of surface junction between {010} and {110}. These junctions achieved higher separation efficiency and selectively transfer of photogenerated charge carriers between two surfaces. Thus the photoreduction of Cr(VI) and photooxidation of phenol can selectively occur on the different crystal surfaces. This study demonstrates the possibility of purification of organic wastewater containing toxic heavy metals such as Cr(VI) using photocatalytic technology and provides new ideas and methods for the design of highly active photocatalytic materials.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

An electrochemical procedure coupled with a Schiff base method; application to electroorganic synthesis of new nitrogen-containing heterocycles

The synthesis of Nitrogen-containing heterocycles has been achieved using chemical and electrochemical methods, respectively. The direct chemical synthesis of nucleophiles proceeds through the Schiff base chemical reaction. This procedure offers an alternate reaction between dicarbonyl compounds and diamines leads to the formation of products. The results indicate that the Schiff base chemical method for synthesis of the product has successfully performed in excellent overall yield. In the electrochemical step, a series of Nitrogen-containing compounds were electrosynthesized. Various parameters such as the applied potential, pH of the electrolytic solution, cell configuration and also purification techniques, were carried out to optimize the yields of corresponding products. New Nitrogen-containing heterocycle derivatives were synthesized using an electrochemical procedure coupled with a Schiff base as a facile, efficient and practical method. The products have been characterized after purification by IR, {sup 1}H NMR, {sup 13}C NMR and ESI-MS{sup 2}.

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

Parallel scalability of Hartree–Fock calculations

Quantum chemistry is increasingly performed using large cluster computers consisting of multiple interconnected nodes. For a fixed molecular problem, the efficiency of a calculation usually decreases as more nodes are used, due to the cost of communication between the nodes. This paper empirically investigates the parallel scalability of Hartree–Fock calculations. The construction of the Fock matrix and the density matrix calculation are analyzed separately. For the former, we use a parallelization of Fock matrix construction based on a static partitioning of work followed by a work stealing phase. For the latter, we use density matrix purification from the linear scaling methods literature, but without using sparsity. When using large numbers of nodes for moderately sized problems, density matrix computations are network-bandwidth bound, making purification methods potentially faster than eigendecomposition methods.

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

Radiopure ZnMoO{sub 4} scintillating bolometers for the LUMINEU double-beta experiment

The results of R&D of radiopure zinc molybdate (ZnMoO{sub 4}) based scintillating bolometers for the LUMINEU (Luminescent Underground Molybdenum Investigation for NEUtrino mass and nature) double-beta decay experiment are presented. A dedicated two-stage molybdenum purification technique (sublimation in vacuum and recrystallization from aqueous solutions) and an advanced directional solidification method (the low-thermal-gradient Czochralski technique) were utilized to produce high optical quality large mass (∼1 kg) ZnMoO{sub 4} crystal boules and first {sup 100}Mo (99.5%) enriched Zn{sup 100}MoO{sub 4} crystal scintillator (mass of ∼0.2 kg). Scintillating bolometers based on ZnMoO{sub 4} (≈ 0.33 kg) and Zn{sup 100}MoO{sub 4} (≈ 0.06 kg) scintillation elements and high purity Ge wafers were tested in the EDELWEISS set-up at the Modane Underground Laboratory (France). Long term low temperature tests demonstrate excellent detectors’ performance and effectiveness of the purification and solidification procedures for the achievement of high radiopurity of the material, in particular with a bulk activity of {sup 228}Th and {sup 226}Ra below 4 µBq/kg. The adopted protocol was used to produce for the first time a large volume Zn{sup 100}MoO{sub 4} crystal scintillator (mass of ∼1.4 kg, {sup 100}Mo enrichment is 99.5%) to search for neutrinoless double-beta decay of {sup 100}Mo in the framework of the LUMINEU project.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Background reduction in the SNO+ experiment

SNO+ is a large multi-purpose liquid scintillator experiment, which first aim is to detect the neutrinoless double beta decay of {sup 130}Te. It is placed at SNOLAB, at 6000 m.w.e. and it is based on the SNO infrastructure. SNO+ will contain approximately 780 tonnes of liquid scintillator, loaded with {sup 130}Te inside an acrylic vessel (AV) with an external volume of ultra pure water to reduce the external backgrounds. Light produced in the scintillator by the interaction of particles will be detected with about 9,000 photomultiplier’s. For the neutrinoless double beta decay phase, due to its the extremely low rate expected, the control, knowledge and reduction of the background is essential. Moreover, it will also benefit other phases of the experiment focused on the study of solar neutrinos, nucleon decay, geoneutrinos and supernovae. In order to reduce the internal background level, a novel purification technique for tellurium loaded scintillators has been developed by the collaboration that reduces the U/Th concentration and several cosmic-activated isotopes by at least a factor 10{sup 2} -10{sup 3} in a single pass. In addition, different rejection techniques have been developed for the remaining internal backgrounds based on Monte-Carlo simulations. In this work, the scintillator purification technique and the levels obtained with it will be discussed. Furthermore, an overview of the different backgrounds for the double-beta phase will be presented, highlighting some of the techniques developed to reject the remained decays based on their expected timing differences.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Role of impurities in determining the exciton diffusion length in organic semiconductors

The design and performance of organic photovoltaic cells is dictated, in part, by the magnitude of the exciton diffusion length (L{sub D}). Despite the importance of this parameter, there have been few investigations connecting L{sub D} and materials purity. Here, we investigate L{sub D} for the organic small molecule N,N′-bis(naphthalen-1-yl)-N,N′-bis(phenyl)-benzidine as native impurities are systematically removed from the material. Thin films deposited from the as-synthesized material yield a value for L{sub D}, as measured by photoluminescence quenching, of (3.9 ± 0.5) nm with a corresponding photoluminescence efficiency (η{sub PL}) of (25 ± 1)% and thin film purity of (97.1 ± 1.2)%, measured by high performance liquid chromatography. After purification by thermal gradient sublimation, the value of L{sub D} is increased to (4.7 ± 0.5) nm with a corresponding η{sub PL} of (33 ± 1)% and purity of (98.3 ± 0.8)%. Interestingly, a similar behavior is also observed as a function of the deposition boat temperature. Films deposited from the purified material at a high temperature give L{sub D} = (5.3 ± 0.8) nm with η{sub PL} = (37 ± 1)% for films with a purity of (99.0 ± 0.3)% purity. Using a model of diffusion by Förster energy transfer, the variation of L{sub D} with purity is predicted as a function of η{sub PL} and is in good agreement with measurements. The removal of impurities acts to decrease the non-radiative exciton decay rate and increase the radiative decay rate, leading to increases in both the diffusivity and exciton lifetime. The results of this work highlight the role of impurities in determining L{sub D}, while also providing insight into the degree of materials purification necessary to achieve optimized exciton transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗