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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Operational Implementation of Sea Ice Concentration Estimates from the AMSR2 Sensor

An operation implementation of a passive microwave sea ice concentration algorithm to support NOAA's operational mission is presented. The NASA team 2 algorithm, previously developed for the NASA advanced microwave scanning radiometer for the Earth observing system (AMSR-E) product suite, is adapted for operational use with the JAXA AMSR2 sensor through several enhancements. First, the algorithm is modified to process individual swaths and provide concentration from the most recent swaths instead of a 24-hour average. A latency (time since observation) field and a 24-hour concentration range (maximum-minimum) are included to provide indications of data timeliness and variability. Concentration from the Bootstrap algorithm is a secondary field to provide complementary sea ice information. A quality flag is implemented to provide information on interpolation, filtering, and other quality control steps. The AMSR2 concentration fields are compared with a different AMSR2 passive microwave product, and then validated via comparison with sea ice concentration from the Suomi visible and infrared imaging radiometer suite. This validation indicates the AMSR2 concentrations have a bias of 3.9% and an RMSE of 11.0% in the Arctic, and a bias of 4.45% and RMSE of 8.8% in the Antarctic. In most cases, the NOAA operational requirements for accuracy are met. However, in low-concentration regimes, such as during melt and near the ice edge, errors are higher because of the limitations of passive microwave sensors and the algorithm retrieval.

Arctic↗
NASA NTRS2026

Prototype Demonstration of an Integrated Solar Concentrator System and Carbothermal Reactor Using Solar Energy to Extract Oxygen from Regolith

The Carbothermal Reduction Demonstration (CaRD) project was an effort to develop a prototype system to demonstrate the extraction of oxygen from simulated lunar regolith using concentrated solar energy and a carbothermal reaction. The prototype consisted of a deployable solar concentrator capable of tracking the sun, carbothermal reactor, fluid system, gas analysis, and a solar concentrator control system consisting of avionics and software. These subsystems were developed by multiple NASA centers and a private industry partner, Sierra Space. The various teams worked together to define requirements and interfaces to successfully assemble the complex system and demonstrate an integrated solar carbothermal process. The solar concentrator developed at Glenn Research Center (GRC) was designed to be stowed for a launch environment then deployed on the lunar surface. It utilized a crossed dragone configuration of composite mirrors to direct horizontal sunlight onto a target 90° from the incoming sunlight. The key performance parameters for the solar concentrator were efficiency and power density. The carbothermal reactor was developed by Sierra Space through a separate project called the Carbothermal Oxygen Production Reactor (COPR) where it successfully demonstrated a fully automated process in a thermal vacuum environment. The fluid system needed for the carbothermal reaction was also developed by Sierra Space and successfully demonstrated in the same thermal vacuum test. The gas analysis system was developed at Kennedy Space Center (KSC) and was required to determine the amount of oxygen extracted during each test. The gas analysis system was based on the Mass Spectrometer Observing Lunar Operations (MSOLO) instrument. Avionics and software for the CaRD prototype were also developed at KSC and based on experience with MSOLO avionics and software. The control system was designed to stow, deploy, track the sun, and perform beam alignment of the concentrated light. The prototype subsystems were integrated and tested at Johnson Space Center’s (JSC) Energy Systems Test Area. A heliostat was used to direct sunlight toward the prototype in a way that is representative of the sunlight conditions at the south pole of the Moon. When concentrated sunlight was focused on simulated lunar regolith within the reactor, the gas analysis team confirmed the presence of carbon monoxide gas, which confirmed that a solar carbothermal reaction took place. The key performance parameter for the integrated prototype was grams of oxygen extracted per kilowatt hour of energy arriving at the concentrator primary mirror. The prototype design successfully demonstrated end-to-end capability and further steps to achieve a flight capable system have been defined. With lunar data, engineers would be able to design a scaled-up system capable of extracting oxygen from regolith at useful quantities for crew life support and rocket propellant. On the long term, this method of In-Situ Resource Utilization could be used to drastically reduce the cost and risk of a sustained human presence on the Moon by reducing the amount of oxygen that would have to be delivered.

Oxygen from Regolith↗
DOE OSTI2016

Environmental Characterization Scans Using Sodium-Iodide Gamma Spectroscopy to Determine Ra-226 Concentration in Surface Soil - 16326

The recent natural gas drilling boom has brought heightened attention to the issue of TENORM waste management. Radioactive residues from the extraction, treatment, and purification of materials containing uranium and thorium, or their progeny, pose a public health hazard primarily in the form of ground water contamination. Hydraulic fracturing can liberate formation waters from shale; the high salinity of which can cause radium to move with the water to the surface. The disposal and handling of this water has been a subject of public controversy. For soil remediation projects, radium-226 is generally one of the radionuclides of concern due to its alpha emissions. However performing a survey scan for Ra-226 is difficult because its photon emissions are low energy and have minimal probability of emission per decay (186.2 keV, 3.3% abundance). Additionally resolving its emission from U-235 (185.7 keV, 57% abundance) with field instrumentation is not feasible. Therefore detection of Ra-226 relies on the presence and photon emissions of its progeny. This paper outlines methodology for calculating the minimum detectable concentration of Ra-226 in characterization scans using a sodium-iodide detector array coupled with a multi-channel analyzer. Using progeny ingrowth as a detection proxy requires knowing decay time in order to determine progeny emission rates. Knowledge of site history, process, and prior survey results can be key in determining an accurate decay time. However in the absence of such information in-situ measurements can be used to estimate decay time by comparing observed progeny emission ratios against established values. These values are determined using Oak Ridge National Laboratory's ORIGEN-ARP program to generate photon energy spectra for Ra-226 and its progeny at specified time intervals. Once decay time is established, the detector's minimum detectable concentration can be calculated by synthesizing the expected emission spectra and Los Alamos National Laboratory's Monte Carlo N-Particle transport code to simulate detector response. Traditionally, one of the steps in calculating a system's minimum detectable concentration is to place an appropriate button source under the detector, record the response, and then move the source by a specified increment. This process is repeated until the detector's spatial efficiency has been mapped. Due to the impracticality of performing this with Ra-226 button sources of varying decay times, Monte Carlo N-Particle transport code was utilized to determine the detector's spatial efficiency. A dime sized source with the established emission spectra was placed into the center of a rectangle of soil. This rectangle, including the source, was used as a lattice element to fill the region of space below the detector. The simulation was designed to track the energy distribution of pulses created in the sodium iodide crystal using the F8 tally, and was setup to isolate each source; thereby correlating detector response to source position. The simulation output required post-processing to determine conversion factors from counts per second to disintegrations per second. Post-processing accounted for subtraction of the Compton continuum, and average the data over the scanning pattern to obtain the expected spatial sensitivity during a characterization study. This was performed for the following photo-peaks: 609 keV (Bi-214), and 1764 keV (Bi-214). For calculation of the scan minimum detectable concentration, the surveyor efficiency coefficient from NUREG 1507 was supplanted in favor of a scan speed deviation factor. This was used because the detector utilizes computerized data collection (spatial and spectral). This report finds that, for two shielded 10.16 cm x 10.16 cm x 40.64 cm sodium-iodide crystals with integrated multi-channel analyzers, the minimum detectable concentration in surface soils is less than 1 pCi per gram Ra-226 for a 1 second survey measurement. These results assume a volumetric source with a maximum depth of 15.24 cm and a minimum decay time of 21 days. Verification of the system's capabilities was performed by sending soil samples from scanned areas, and locations where in-situ measurements were performed, to an independent laboratory for analysis. The laboratory results demonstrated that scanned area was principally comprised of soil containing less than 1 pCi per gram Ra-226. This borders the system MDC and it underestimated the concentration of radium in the soil. The probable causes of this is escape of radon gas from the surface soil. Radon is the daughter of radium, and has a high mobility in soil. If the gas escapes, then the progeny used as the detection proxy will be present in lower than expected concentrations. Radionuclide identification using high volume sodium-iodide crystals in low level characterization scans is demonstrated to be possible. Further system refinement will focus on developing a methodology to estimate a radon escape factor for site specific use. Accounting for radon escape in the top 15.24 cm of soil will allow the system to better estimate Ra-226 concentrations in soil. This is a significant advancement over the gross counting statistics used in most studies to satisfy MARSSIM survey requirements, because it will increase stakeholder confidence. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Urinary concentrations of environmental phenols in pregnant women in a pilot study of the National Children's Study

Environmental phenols are a group of chemicals with widespread uses in consumer and personal care products, food and beverage processing, and in pesticides. We assessed exposure to benzophenone-3, bisphenol A (BPA), triclosan, methyl- and propyl parabens, and 2,4- and 2,5-dichlorophenol or their precursors in 506 pregnant women enrolled in the National Children's Study (NCS) Vanguard Study. We measured the urinary concentrations of the target phenols by using online solid-phase extraction–isotope dilution high performance liquid chromatography–tandem mass spectrometry. NCS women results were compared to those of 524 similar-aged women in the National Health and Nutrition Examination Survey (NHANES) 2009–2010, and to 174 pregnant women in NHANES 2005–2010. In the NCS women, we found significant racial/ethnic differences (p<0.05) in regression adjusted mean concentrations of benzophenone-3, triclosan, 2,4- and 2,5-dichlorophenol, but not of BPA. Urinary 2,4- and 2,5-dichlorophenol concentrations were highly correlated (r=0.66, p<0.0001). Except for BPA and triclosan, adjusted mean concentrations were significantly different across the 7 study sites. Education was marginally significant for benzophenone-3, triclosan, propyl paraben, and 2,5-dichlorophenol. Urinary concentrations of target phenols in NCS pregnant women and U.S. women and pregnant women were similar. In NCS pregnant women, race/ethnicity and geographic location determined urinary concentrations of most phenols (except BPA), suggesting differential exposures. NCS Main Study protocols should collect urine biospecimens and information about exposures to environmental phenols. - Highlights: • Limited biomonitoring data are available in pregnant women. • Seven urinary phenols were measured in 506 third trimester women enrolled in the NCS. • Urine benzophenone-3, triclosan, 2,4- and 2,5-dichlorophenol differed by race/ethnicity. • Urinary concentrations of 2,4- and 2,5-dichlorophenol were highly correlated. • Exposure information can expand the utility of biospecimens in the NCS Main Study.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Concentration quenching of Eu{sup 2+} doped Ca{sub 2}BO{sub 3}Cl

Highlights: • Ca{sub 2}BO{sub 3}Cl doped with Eu{sup 2+} prepared by solid state reaction. • Concentration quenching studied by intensity and lifetime measurements. • Accurate determination of the critical transfer distance. • Interaction mechanism verified to be dipole–dipole interactions. - Abstract: With the aim of determining the concentration quenching mechanism of Eu{sup 2+} doped Ca{sub 2}BO{sub 3}Cl, a series of phosphors with a varied Eu{sup 2+} concentration (Ca{sub 2−x}BO{sub 3}Cl:xEu{sup 2+}) was synthesized by the solid state reaction method. The phase structure was determined by X-ray diffraction. Photoluminescence (PL) measurements showed broad excitation and emission signatures of the allowed f–d transition of Eu{sup 2+} ions. The PL emission intensity was found to be increased by increasing the concentration of Eu{sup 2+} ions up to x = 0.03 and then decreased as a result of the concentration quenching effect. The lifetime of the emission from the Eu{sup 2+} ions was measured and the decrease in the lifetime with increasing Eu{sup 2+} concentration confirmed that non-radiative energy transfer occurred between Eu{sup 2+} ions. From the luminescence data, the value of the critical transfer distance was calculated as 1.5 nm and the corresponding concentration quenching mechanism was verified to be a dipole–dipole interaction.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Plasmatic concentration of organochlorine lindane acts as metabolic disruptors in HepG2 liver cell line by inducing mitochondrial disorder

Lindane (LD) is a persistent environmental pollutant that has been the subject of several toxicological studies. However, concentrations used in most of the reported studies were relatively higher than those found in the blood of the contaminated area residents and effects of low concentrations remain poorly investigated. Moreover, effects on cell metabolism and mitochondrial function of exposure to LD have received little attention. This study was designed to explore the effects of low concentrations of LD on cellular metabolism and mitochondrial function, using the hepatocarcinoma cell line HepG2. Cells were exposed to LD for 24, 48 and 72 h and different parameters linked with mitochondrial regulation and energy metabolism were analyzed. Despite having any impact on cellular viability, exposure to LD at plasmatic concentrations led to an increase of maximal respiratory capacity, complex I activity, intracellular ATP and NO release but decreased uncoupled respiration to ATP synthesis and medium lactate levels. In addition, LD exposure resulted in the upregulation of mitochondrial biogenesis genes. We suggest that, at plasmatic concentrations, LD acts as a metabolic disruptor through impaired mitochondrial function and regulation with an impact on cellular energetic metabolism. In addition, we propose that a cellular assay based on the analysis of mitochondria function, such as described here for LD, may be applicable for larger studies on the effects of low concentrations of xenobiotics, because of the exquisite sensitivity of this organelle. - Highlights: Our data clearly demonstrated in HepG2 cells that exposure at plasmatic low concentrations of LD were able to: • Impair mitochondrial function • Caused alteration on nucleo-mitochondrial cross-talk • Increase nitric oxide release and protein nitration • Impair cellular energetic metabolism and lipid accumulation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Acute 7,12-dimethylbenz[a]anthracene exposure causes differential concentration-dependent follicle depletion and gene expression in neonatal rat ovaries

Chronic exposure to the polycyclic aromatic hydrocarbon 7,12-dimethylbenz[a]anthracene (DMBA), generated during combustion of organic matter including cigarette smoke, depletes all ovarian follicle types in the mouse and rat, and in vitro models mimic this effect. To investigate the mechanisms involved in follicular depletion during acute DMBA exposure, two concentrations of DMBA at which follicle depletion has (75 nM) and has not (12.5 nM) been observed were investigated. Postnatal day four F344 rat ovaries were maintained in culture for four days before a single exposure to vehicle control (1% DMSO; CT) or DMBA (12 nM; low-concentration or 75 nM; high-concentration). After four or eight additional days of culture, DMBA-induced follicle depletion was evaluated via follicle enumeration. Relative to control, DMBA did not affect follicle numbers after 4 days of exposure, but induced large primary follicle loss at both concentrations after 8 days; while, the low-concentration DMBA also caused secondary follicle depletion. Neither concentration affected primordial or small primary follicle number. RNA was isolated and quantitative RT-PCR performed prior to follicle loss to measure mRNA levels of genes involved in xenobiotic metabolism (Cyp2e1, Gstmu, Gstpi, Ephx1), autophagy (Atg7, Becn1), oxidative stress response (Sod1, Sod2) and the phosphatidylinositol 3-kinase (PI3K) pathway (Kitlg, cKit, Akt1) 1, 2 and 4 days after exposure. With the exception of Atg7 and cKit, DMBA increased (P < 0.05) expression of all genes investigated. Also, BECN1 and pAKT{sup Thr308} protein levels were increased while cKIT was decreased by DMBA exposure. Taken together, these results suggest an increase in DMBA bioactivation, add to the mechanistic understanding of DMBA-induced ovotoxicity and raise concern regarding female low concentration DMBA exposures. - Highlights: • Acute DMBA exposures induce large primary and/or secondary follicle loss. • Acute DMBA exposure did not impact primordial and small primary follicle number. • Altered ovarian gene expression was observed due to DMBA exposure.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

PBPK and population modelling to interpret urine cadmium concentrations of the French population

As cadmium accumulates mainly in kidney, urinary concentrations are considered as relevant data to assess the risk related to cadmium. The French Nutrition and Health Survey (ENNS) recorded the concentration of cadmium in the urine of the French population. However, as with all biomonitoring data, it needs to be linked to external exposure for it to be interpreted in term of sources of exposure and for risk management purposes. The objective of this work is thus to interpret the cadmium biomonitoring data of the French population in terms of dietary and cigarette smoke exposures. Dietary and smoking habits recorded in the ENNS study were combined with contamination levels in food and cigarettes to assess individual exposures. A PBPK model was used in a Bayesian population model to link this external exposure with the measured urinary concentrations. In this model, the level of the past exposure was corrected thanks to a scaling function which account for a trend in the French dietary exposure. It resulted in a modelling which was able to explain the current urinary concentrations measured in the French population through current and past exposure levels. Risk related to cadmium exposure in the general French population was then assessed from external and internal critical values corresponding to kidney effects. The model was also applied to predict the possible urinary concentrations of the French population in 2030 assuming there will be no more changes in the exposures levels. This scenario leads to significantly lower concentrations and consequently lower related risk. - Highlights: • Interpretation of urine cadmium concentrations in France • PBPK and Bayesian population modelling of cadmium exposure • Assessment of the historic time-trend of the cadmium exposure in France • Risk assessment from current and future external and internal exposure.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Influence of Thermal Annealing on Free Carrier Concentration in (GaN) 1– x (ZnO) x Semiconductors

It has been previously demonstrated that the efficiency of (GaN) 1–x (ZnO) x semiconductors for solar water splitting can be improved by thermal annealing, though the origin of this improvement was not resolved. In the present work, it is shown that annealing reduces the free carrier (electron) concentration of (GaN) 1–x (ZnO) x . The time-, temperature-, and atmosphere-dependent changes were followed through two simple techniques: indirect diffuse reflectance measurements from 0.5 to 3.0 eV which show very high sensitivity to the free carrier response at the lowest energies and EPR measurements which directly probe the number of unpaired electrons. For the thermal annealing of investigated compositions, it is found that temperatures of 250 °C and below do not measurably change the free carrier concentration, a gradual reduction of the free carrier concentration occurs over a time period of many hours at 350 °C, and the complete elimination of free carriers happens within an hour at 550 °C. These changes are driven by an oxidative process which is effectively suppressed under actively reducing atmospheres (H 2 , NH 3 ) but which can still occur under nominally inert gases (N 2 , Ar). Surprisingly, it is found that the N 2 gas released during thermal oxidation of (GaN) 1–x (ZnO) x samples remains trapped within the solid matrix and is not expelled until temperatures of about 900 °C, a result directly confirmed through neutron pair-distribution fuction (PDF) measurements which show a new peak at the 1.1 Å bond length of molecular nitrogen after annealing. Preliminary comparative photoelectrochemical (PEC) measurements of the influence of free carrier concentration on photoactivity for water oxidation were carried out for a sample with x = 0.64. Samples annealed to eliminate free carriers exhibited no photoactivity for water oxidation, while a complex dependence on carrier concentration was observed for samples with intermediate free carrier concentrations. The methods demonstrated here provide an important approach for quantifying (and controlling) the carrier concentrations of semiconductors which are only available in the form of loose powders, as is commonly the case for oxynitride compounds.

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

Accurate and absolute diffusion measurements of Rhodamine 6G in low-concentration aqueous solutions by the PGSE-WATERGATE sequence

A pulsed field gradient spin-echo nuclear magnetic resonance (NMR) sequence with solvent suppression (PGSE-WATERGATE) was applied to accurately measure the diffusion coefficients of Rhodamine 6G (Rh6G) in low-concentration aqueous solutions. Three samples with Rh6G concentrations of C{sub Rh6G} = 1, 4.5, and 25 μM were investigated. The precise determination of the diffusion coefficients in this low-concentration range was made possible by using a cryogenically cooled NMR probe and by the effective solvent suppression of the PGSE-WATERGATE sequence. The present results bridge the gap between diffusion data measured by fluorescence correlation spectroscopy in the single molecule limit and diffusivities obtained by pulsed field gradient NMR (PFG-NMR) without solvent suppression at higher concentrations. To further extend the concentration range, the diffusion coefficient of Rh6G was also measured on a sample with C{sub Rh6G} = 410 μM by PFG-NMR. The overall concentration dependence of the Rh6G diffusion at 25 °C is discussed in terms of dimerization of the Rh6G molecules. The concentration-dependent monomer/dimer proportion is deduced from the diffusion data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

High-throughput small-angle X-ray scattering reveals effective structure factor transitions linked to high-concentration antibody viscosity

High-concentration monoclonal antibody (mAb) formulations are often constrained by elevated viscosity, largely driven by protein–protein interactions, which complicates manufacturing and limits subcutaneous delivery. Early viscosity risk assessment is essential during discovery, yet traditional measurements require large sample volumes, and lack high-throughput capability. Here, we develop a high-throughput small-angle X-ray scattering (SAXS) protocol to detect mAb self-association at dilute concentrations, enabling early predictive insights into high-concentration viscosity. Synchrotron SAXS measurements were conducted for 21 mAbs formulated in a histidine buffer at pH 6.0. An initial subset of 10 mAbs analyzed across 1–150 mg/mL revealed that effective structure factor transitions in the low-q region, indicative of interparticle interactions, consistently emerged below 25 mg/mL. Subsequently, 11 additional mAbs were analyzed at 1–25 mg/mL using automated liquid handling and flow cells to enable high-throughput screening. High-viscosity mAbs exhibited detectable low-q upturns at concentrations ≤10 mg/mL, whereas low-viscosity mAbs showed downturns. A classification criterion based on effective structure factor transitions accurately classified all high- and low-viscosity mAbs at 150 mg/mL, offering a scalable, sample-efficient alternative to conventional methods. These results extend recent findings on the concentration-dependent sensitivity of SAXS to short-range attractions, demonstrating that they can emerge at lower concentrations than previously reported. This study presents the most comprehensive and diverse SAXS dataset for mAbs reported to date within a single formulation, providing a valuable resource for developing and validating coarse-grained models that can more accurately capture intermolecular interactions governing high-concentration solution behavior, thereby enabling rational antibody engineering and improved developability.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Osmotic potential calculations of inorganic and organic aqueous solutions over wide solute concentration levels and temperatures

Purpose: To demonstrate that the authors’ new “aqueous solution vs pure water” equation to calculate osmotic potential may be used to calculate the osmotic potentials of inorganic and organic aqueous solutions over wide ranges of solute concentrations and temperatures. Currently, the osmotic potentials of solutions used for medical purposes are calculated from equations based on the thermodynamics of the gas laws which are only accurate at low temperature and solute concentration levels. Some solutions used in medicine may need their osmotic potentials calculated more accurately to take into account solute concentrations and temperatures. Methods: The authors experimented with their new equation for calculating the osmotic potentials of inorganic and organic aqueous solutions up to and beyond body temperatures by adjusting three of its factors; (a) the volume property of pure water, (b) the number of “free” water molecules per unit volume of solution, “N{sub f},” and (c) the “t” factor expressing the cooperative structural relaxation time of pure water at given temperatures. Adequate information on the volume property of pure water at different temperatures is available in the literature. However, as little information on the relative densities of inorganic and organic solutions, respectively, at varying temperatures needed to calculate N{sub f} was available, provisional equations were formulated to approximate values. Those values together with tentative t values for different temperatures chosen from values calculated by different workers were substituted into the authors’ equation to demonstrate how osmotic potentials could be estimated over temperatures up to and beyond bodily temperatures. Results: The provisional equations formulated to calculate N{sub f}, the number of free water molecules per unit volume of inorganic and organic solute solutions, respectively, over wide concentration ranges compared well with the calculations of N{sub f} using recorded relative density data at 20 °C. They were subsequently used to estimate N{sub f} values at temperatures up to and excess of body temperatures. Those values, together with t values at temperatures up to and in excess of body temperatures recorded in the literature, were substituted in the authors’ equation for the provisional calculation of osmotic potentials. The calculations indicated that solution temperatures and solute concentrations have a marked effect on osmotic potentials. Conclusions: Following work to measure the relative densities of aqueous solutions for the calculation of N{sub f} values and the determination of definitive t values up to and beyond bodily temperatures, the authors’ equation would enable the accurate estimations of the osmotic potentials of wide concentrations of aqueous solutions of inorganic and organic solutes over the temperature range. The study illustrates that not only solute concentrations but also temperatures have a marked effect on osmotic potentials, an observation of medical and biological significance.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Electrolyte Concentration Effect on Sulfur Utilization of Li-S Batteries

Electrolyte is the critical component of the Li-S battery. Past studies have shed light on the behavior of the Li-S cells when the electrolyte salt concentration is increased to the solvent-in-salt regime and demonstrated tremendously improved cycle life. However, there is no systematic study on the Li-S cell when the electrolyte salt concentration is reduced from the standard 1.0M condition. This work investigates the lower salt concentration regime by doing a systematic study with the standard LiTFSI in DME:DOL combination, using sulfur electrodes with relatively high loading (> 6 mg cm -2 ). Although reducing the electrolyte salt concentration lowers the ionic conductivity, it is found that the sulfur utilization and rate capability of the Li-S cells benefits from this process. Similar observations are also found when LiTFSI is replaced with LiI and LiBr, which form less conductive electrolytes than LiTFSI at the same concentration levels. Data correlation indicates a stronger correlation between the Li-S cell’s rate-capability and the electrolyte conductivity than electrolyte viscosity. It is proposed in this work that free Li + concentration, which is proportional to the electrolyte conductivity, is the real rate-capability determining parameter. Reducing the electrolyte salt concentration and replacing LiTFSI with less dissociable salts (LiI, LiBr) both will reduce the free Li + in the electrolyte, which will allow a higher saturation point of Li 2 S 2 /Li 2 S. This probably will delay the insulating layer build-up on the cathode conductive network and improve the dissolved Li-polysulfide to Li 2 S 2 /Li 2 S conversion efficiency. Both impedance and cathode morphology support this theorem.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

Non-Aqueous Titration Method for Determining Suppressor Concentration in the MCU Next Generation Solvent (NGS)

A non-aqueous titration method has been used for quantifying the suppressor concentration in the MCU solvent hold tank (SHT) monthly samples since the Next Generation Solvent (NGS) was implemented in 2013. The titration method measures the concentration of the NGS suppressor (TiDG) as well as the residual tri-n-octylamine (TOA) that is a carryover from the previous solvent. As the TOA concentration has decreased over time, it has become difficult to resolve the TiDG equivalence point as the TOA equivalence point has moved closer. In recent samples, the TiDG equivalence point could not be resolved, and therefore, the TiDG concentration was determined by subtracting the TOA concentration as measured by semi-volatile organic analysis (SVOA) from the total base concentration as measured by titration. In order to improve the titration method so that the TiDG concentration can be measured directly, without the need for the SVOA data, a new method has been developed that involves spiking of the sample with additional TOA to further separate the two equivalence points in the titration. This method has been demonstrated on four recent SHT samples and comparison to results obtained using the SVOA TOA subtraction method shows good agreement. Therefore, it is recommended that the titration procedure be revised to include the TOA spike addition, and this to become the primary method for quantifying the TiDG.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Limiting concentrations of activated mononucleotides necessary for poly(C)-directed elongation of oligoguanylates

Selected imidazolide-activated nucleotides have been subjected to hydrolysis under conditions similar to those that favor their template-directed oligomerization. Rate constants of hydrolysis of the P-N bond in guanosine 5'-monophosphate 2-methylimidazolide (2-MeImpG) and in guanosine 5'-monophosphate imidazolide (ImpG), kh, have been determined in the presence/absence of magnesium ion as a function of temperature and polycytidylate [poly(C)] concentration. Using the rate constant of hydrolysis of 2-MeImpG and the rate constant of elongation, i.e., the reaction of an oligoguanylate with 2-MeImpG in the presence of poly(C) acting as template, the limiting concentration of 2-MeImpG necessary for oligonucleotide elongation to compete with hydrolysis can be calculated. The limiting concentration is defined as the initial concentration of monomer that results in its equal consumption by hydrolysis and by elongation. These limiting concentrations of 2-MeImpG are found to be 1.7 mM at 37 degrees C and 0.36 mM at 1 degrees C. Boundary conditions in the form of limiting concentration of activated nucleotide may be used to evaluate a prebiotic model for chemical synthesis of biopolymers. For instance, the limiting concentration of monomer can be used as a basis of comparison among catalytic, but nonenzymatic, RNA-type systems. We also determined the rate constant of dimerization of 2-MeImpG, k2 = 0.45 +/- 0.06 M-1 h-1 in the absence of poly(C), and 0.45 +/- 0.06 less than or equal to k2 less than or equal to 0.97 +/- 0.13 M-1 h-1 in its presence at 37 degrees C and pH 7.95.(ABSTRACT TRUNCATED AT 250 WORDS).

NASA Discipline Number 52-20↗
DOE OSTI2016

NORM Concentration Determination in Common Materials in an Urban Environment

The United States government performs searches for illicit radiation sources before and during large special events, such as State of the Union addresses, presidential inaugurations, or the recent papal visit. Clear detection of sources is difficult due to natural background radiation, which can vary greatly throughout a given search area. Background radiation is mostly a function of the materials used in roadways, sidewalks, and building exteriors. A team of scientists from Oak Ridge National Laboratory (ORNL), Lawrence Livermore National Laboratory (LLNL), the Remote Sensing Laboratory (RSL), and Lawrence Berkeley National Laboratory (LBNL) is exploring the nature and variability of background count rates in order to improve the performance of searches in urban areas. A series of background measurements have been and will continue to be taken at a Military Operations on Urban Terrain (MOUT) environment at the Fort Indiantown Gap (FTIG) National Guard training facility in Pennsylvania. This site replicates a small town with asphalt roads, concrete intersections, buildings, sidewalks, curbs, and gravel parking areas. Unlike an actual urban area, traffic and pedestrian access can be easily controlled to avoid interference with measurements. This paper documents the efforts focused on characterizing the various concentrations of radioactive material found in these materials at the site. The NORM concentrations determined from this work will be incorporated in to a large-scale simulation (a 'virtual test-bed') that can be used to investigate various search techniques and algorithms, detector suite configurations, and to produce representative synthetic data for future work. A combination of measurement and simulation was used to determine the concentration of {sup 40}K and the radioactive nuclides in the uranium series and the thorium series in several materials at the FTIG MOUT site. The predicted concentrations are consistent with other published results, and they matched favorably with synthetic data generated with MCNP6 models using the determined NORM concentrations and estimates of the FTIG environment as described by available construction plans and using standard material assumptions. Future measurements will incorporate lessons learned from this study. More measurements will be made of the concrete intersections at the site. The methodology explained in this report will also be carried out on building materials in an effort to characterize NORM concentrations in these background sources. Other modeling and simulation work that should be conducted includes a robust sensitivity analysis in which the effects of small changes to the model (and measurement) system can be characterized to help bound the uncertainty on the final NORM concentration predictions. (authors)

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Optimization of Photon and Electron Collection Efficiencies in Silicon Solar Microcells for Use in Concentration-Based Photovoltaic Systems

We show that ultrathin silicon solar microcells ($μ$-cells) afford a means to reduce semiconductor material consumption and can be integrated with concentration optics to improve their power density. A $μ$-cell design is described that optimizes electron and photon collection with enhanced efficiency for solar concentration applications. An interdigitated back contact (IBC) design improves carrier collection partially due to larger contact coverage while further enabling optimization of the μ-cell front surface. To do so, a silicon nitride antireflection thin film coating is utilized to enhance photon absorption and improve surface passivation. Performance of IBC $μ$-cells is compared to an optimized top contact design and improves μ-cell conversion efficiencies from 9.9 to 13.7%. Improvements at 1 Sun are amplified under concentration and increase power densities at 20 Suns to 346 from 192 mW cm-2 due to minimized series resistance. Benefits afforded by IBC $μ$-cells are exemplified following their integration into a dual concentrator system, affording photon collection capacities for direct and diffuse irradiance. A traditional lens concentrates direct light while a luminescent solar concentrator (LSC) collects diffuse photons otherwise not utilized by passive optics. Addition of the LSC increases maximum power densities on clear and cloudy days, providing concentration for the latter and further increasing the power density.

14 SOLAR ENERGY↗
DOE OSTI2016

The effects of harvest regime, irrigation, and salinity on stem lignocellulose concentrations in alfalfa ( Medicago sativa L.)

Alfalfa (Medicago sativa L.) is a potential candidate for cellulosic ethanol production due to its high biomass, perennial-habit, relationship with nitrogen-fixing bacteria, and other co-products. Here we examined the effects of harvest regime, irrigation, and salinity on stem lignocellulose concentrations in alfalfa during the 2010 and 2011 growing seasons in Southern Minnesota. Stem cellulose, hemicellulose and lignin concentrations, and theoretical ethanol yields were examined in eight alfalfa cultivars with full-bud and 50%-flower harvest regimes, irrigation, and salinity as applied treatments. Plants received weekly applications of (1) 1.27 cm of well water (“fresh water;” 0.75 dS m -1 ), (2) 1.27 cm of saline water (NaCl; “brackish water”; 5.0 dS m -1 ) or (3) ambient precipitation (“rainfed”). Holocellulose concentrations reached the highest values during the full bud (2010) and 50% flower (2011) harvest regimes with concentrations averaging 45%. Theoretical ethanol yields were generally higher for the 50%-flower harvest regime, suggesting the longer growth period increased holocellulose concentrations while not being hindered by more lignin in older stems. Alfalfa growing under brackish-water treatments had 1.3–6.1% more holocellulose than those receiving irrigation or ambient precipitation over two growing seasons. Lignin concentrations across all treatments were almost 23% lower during the second growing season. Interestingly, plants growing under brackish-water treatments had higher holocellulose to lignin ratios and higher theoretical ethanol yields during both field seasons suggesting that moderate levels of salt may stimulate holocellulose concentrations.

59 BASIC BIOLOGICAL SCIENCES↗