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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ca(NCl)2 by Materials Project

CaCl2N2 crystallizes in the orthorhombic Aem2 space group. The structure is two-dimensional and consists of eight ammonia molecules and two CaCl2 sheets oriented in the (0, 1, 0) direction. In each CaCl2 sheet, Ca2+ is bonded in a distorted rectangular see-saw-like geometry to four Cl1- atoms. There are two shorter (2.69 Å) and two longer (2.72 Å) Ca–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Ca2+ atoms. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Ca2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2014

SRNL SHELF LIFE STUDIES - SCC STUDIES AT ROOM TEMPERTURE [stress corrosion cracking ]

Phase II, Series 2 corrosion testing performed by the Savannah River National Laboratory (SRNL) for the Department of Energy 3013 container has been completed. The corrosion tests are part of an integrated plan conducted jointly by Los Alamos National Laboratory and the Savannah River Site. SRNL was responsible for conducting corrosion studies in small-scale vessels to address the influence of salt composition, water loading, and type of oxide/salt contact on the relative humidity inside a 3013 container and on the resulting corrosion of Type 304L and 316L stainless steel (304L and 316L). This testing was conducted in two phases: Phase I evaluated a broad spectrum of salt compositions and initial water loadings on the salt mixtures exposed to 304L and 316L and the resulting corrosion; Phase II evaluated the corrosion of 304L at specific water loadings and a single salt composition. During Phase I testing at high initial moisture levels (0.35 to 1.24 wt%)a, the roomtemperature corrosion of 304L exposed to a series of plutonium oxide/chloride salt mixtures ranged from superficial staining to pitting and stress corrosion cracking (SCC). 304L teardrop coupons that exhibited SCC were directly exposed to a mixture composed of 98 wt % PuO2, 0.9 wt % NaCl, 0.9 wt % KCl, and 0.2 wt % CaCl2. Cracking was not observed in a 316L teardrop coupon. Pitting was also observed in this environment for both 304L and 316L with depths ranging from 20 to 100 μm. Neither pitting nor SCC was observed in mixtures with a greater chloride salt concentration (5 and 28 wt%). These results demonstrated that for a corrosive solution to form a balance existed between the water loading and the salt chloride concentration. This chloride solution results from the interaction of loaded water with the hydrating CaCl2 salt. In Phase II, Series 1 tests, the SCC results were shown to be reproducible with cracking occurring in as little as 85 days. The approximate 0.5 wt% moisture level was found to result in an initial relative humidity of ~55% within the small-scale vessels. Pits were found to be associated with cracks and appeared to act as initiators for the cracking. In a vapor-space only exposure, the weld oxide, which results from the TIG closure weld used to fabricate the teardrop coupon, was also shown to be more susceptible to pitting corrosion than a surface free from weld oxide. This result has important implications for the closure weld of the 3013 inner can since the weld oxide on the can internal surface cannot be removed. The results from the Phase II, Series 2 tests further demonstrated the significance of forming a solution with a critical chloride concentration for corrosion to proceed. 304L teardrop coupons were found to corrode only by pitting with a similar oxide/salt mixture as used in Series 1 testing but with a lower water loading of 0.2 wt%, which resulted in an initial relative humidity of 35-38%. These tests ran twice as long as those for Series 1 testing. The exposure condition was also found to impact the corrosion with salt-exposed surfaces showing lower corrosion resistance. Additional analyses of the Series 2 coupons are recommended especially for determining if cracks emanate from the bottom of pits. Data generated under the 2009 3013 corrosion test plan, as was presented here, increased the understanding of the corrosion process within a sealed 3013 container. Along with the corrosion data from destructive evaluations of 3013 containers, the inner can closure weld region (ICCWR) has been identified as the most vulnerable area of the inner can where corrosion may lead to corrosive species leaking to the interior surface of the outer container, thereby jeopardizing the integrity of the 3013 container. A new corrosion plan has been designed that will characterize the corrosion at the ICCWR of 3013 DEs as well as parameters affecting this corrosion.

3013 plutonium storage, stress corrosion cracking,↗
DOE OSTI2019

Effects of Pore Size on Na/Ca Ion Selectivity Using Flow Through Electrode Capacitive Deionization

In flow through electrode capacitive deionization (fte-CDI), low salinity brackish water flows through two porous carbon electrodes. When an electrical potential difference is applied over the electrodes, ions migrate towards micropores, cleaning the water. Ion selectivity can be controlled by taking advantage of charge and ionic radius differences as well as the applied potential and pore size of the electrodes. The research outlined in this paper consists primarily of running fte-CDI cells with electrodes of varying pore size distributions to experimentally determine the parameters for optimal total salt removal and sodium/calcium ion selectivity. Five fte-CDI cells of different activation were fabricated using microporous hierarchical carbon aerogel materials (HCAMs) as electrodes. For each cell, cyclic voltammetry using 20 mM NaCl solution and 10 mM CaCl2 solution was performed at a scan rate of 0.5, 0.75, and 1 mV/s with a potential window from -0.8 V to +0.8 V. The same pure salts were desalinated in hourly charge/discharge cycles at ±1 V. A mixture of 5 mM NaCl and 2.5 mM CaCl2 was desalinated at 0.6, 0.8, 1.0, and 1.2 V. The collected charge and discharge streams were analyzed with ion chromatography (IC). The IC data for the two least activated cells showed minimal calcium adsorption compared to sodium. All cells adsorbed sodium, regardless of activation, while only highly activated cells removed calcium. This data indicates a tradeoff between more total salt removed at high voltages and selectivity of sodium over calcium at low voltages. Future research with nitrogen porosimetry could provide a quantitative value for the optimal pore size distribution.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Improvement of Coal Power Plant Dry Cooling Technology through Application of Cold Thermal Energy Storage

The U.S. power infrastructure is currently heavily reliant on water cooling. The power plants in the U.S. account for approximately 40% of freshwater withdrawals, with 90% of it used in condenser cooling. The most used cooling technology in coal-fired power plants is a once-through condenser; however, this cooling method requires high water withdrawal rates and results in thermal pollution of the water source. Wet WCTs offer an alternative to once-through condensers due to much lower water withdrawals. However, these systems suffer from water consumption through evaporation making them undesirable options in areas subject to droughts and in arid areas. The direct dry cooled condensers (ACCs) and dry cooling towers (DCT) account for 1.8%, hybrid cooling (ACC + WCT) accounts for 0.5%, while other cooling technologies represent the rest (0.7%). The ACC/DCTs represent an attractive alternative for power plants; however, this technology has not been widely adopted in the US (less than 2% of power plants) due to its negative impact on plant performance. As a rule of thumb, dry cooling results in performance penalty equivalent to approximately 2%-point efficiency loss compared to wet cooling, although the actual magnitude varies with ambient dry bulb temperature, DBT which may vary considerably during the day. As DBT increases, the plant power output decreases, reaching a minimum at the hottest period of the day, which usually coincides with the highest electricity demand for air condition load. Therefore, performance of power plants using DCT/ACC cooling technology is the lowest during the summer mid-day when ambient temperature is the highest. For example, the decrease of the inlet air temperature to the DCT/ACC by 2 Deg C could generate up to 5% additional power at peak demand. It is, therefore, important to improve dry cooling technology to maintain the viability of coal-fired power plants in a carbon constrained future. The method for reducing the cooling air temperature and keeping it constant would mitigate this problem significantly. Objectives of this project were to develop, design, evaluate, and demonstrate a cost-effective system for improving performance of a DCT or ACC for thermal (coal-fired) power plant applications using a low-cost heat storage materials, such as pervious concrete (PC) and phase change material (PCM). Thus, the study focused on development of the system(s) that could be used to alleviate the difficulties in operating DCT/ACC during the summer months by storing cold energy during the nighttime in inexpensive materials PC and PCM and using it during the hottest period(s) of the day. Since very large quantities of cold energy need to be stored to make an impact on performance of a large power plant, it is essential that the storage materials and associated cold energy storage design(s) are inexpensive and the system is simple to build, maintain and operate. To achieve the project objectives, a comprehensive approach, including material development and characterization, component and system modeling, and laboratory- and prototype-scale experiments, was employed including modeling of the system components and of the entire system, development (engineering) of the materials for the heat storage modules of the Cold Thermal Energy Storage System (CTESS) and determination of their properties, design, manufacturing and setup of the laboratory- and prototype-scale test facility and testing, design, manufacturing and setup of the prototype-scale test facility. A modular design of CTESS was employed, where representative modules were designed as the integrated direct contact heat exchanger and thermal energy storage (TES) system. CTESS modules were manufactured and tested. Two prototype-scale designs of the CTESS modules were developed and tested. The use of CTESS increases plant generation increases since it lowers air temperature entering ACC/DCT and keeps it constant during the hottest time of the day. For a PCM-based CTESS, the ambient air temperature is lowered close to the PCM phase change temperature. The duration of the cooling effect depends on the latent heat and mass of PCM in the CTESS. For this project, commercial grade CaCl2 hexahydrate (CaCl2·6H2O or CC6) PCM with phase change temperature of 25 Deg. C was used due to its low cost. For practical reasons, the CTESS was designed to maintain the cooling effect for four hours. The low phase change temperature associated with the commercial grade PCM used in CTESS results in considerably higher improvement in net generation compared to the laboratory (pure) grade. The resistance to heat transfer results in lower net generation compared to the ideal case where resistance to heat transfer is zero. The results demonstrate that CTESS is effective in improving the performance of a dry cooling system. However, its effectiveness depends on the relationship between the ambient air conditions and PCM phase change temperature. As is the case with the heat rejection system, for the best performance, the PCM used in CTESS would need to be matched to the ambient air conditions. The results obtained in this report for selected geographical locations are valid for CC6 and demonstrate that the level of performance to be achieved by the technology will be location-dependent, as is the case with the air cooled condensers. The methodology for engineering of PC-PCM-based heat storage medium is applicable to other PCMs that may need to be used for other ambient air conditions and geographical locations.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1981

Formation of pyrophosphate, tripolyphosphate, and phosphorylimidazole with the thioester, N, S-diacetylcysteamine, as the condensing agent

The formation of pyrophosphate, tripolyphosphate and phosphorylimidazole from orthophosphate in the presence of the thioester N, S-diacetylcysteamine is reported. Reactions performed with 0.20 M orthophosphate and 0.20 M N, S-diacetylcysteamine in 0.40 M imidazole under drying conditions at 50 C yielded pyrophosphate and tripolyphosphate after six days in the presence and absence of divalent metal ions. Reactions carried out at ambient temperature yielded phosphorylimidazole in the presence or absence of 0.05 M MgCl2, phosphorylimidazole and pyrophosphate in the presence of 0.05 M CaCl2, and pyrophosphate and tripolyphosphate in the presence of 0.15 M CaCl2. Such reactions represent potential pathways for the formation of energy-rich compounds providing free energy for use in prebiotic biopolymer synthesis.

Weber, A. L.↗
NASA NTRS1991

Determination of cytoplasmic calcium concentration in Dryopteris spores: a developmentally non-disruptive technique for loading of the calcium indicator fura-2

Germination of Dryopteris spores is mediated by the physiologically active, far-red-absorbing form of phytochrome, Pfr, and external Ca2+ is necessary for the transduction of the light signal. Because knowledge about the cytoplasmic calcium ion concentration, [Ca2+]i, is of great importance for understanding the role of calcium during signal transduction, this value was measured using fura-2 in fern spores undergoing the normal developmental progression into germination. Fura-2 was loaded into the spores by electroporation, which does not disrupt the normal process of germination. The intensity of the fluorescence emission of the loaded fura-2 was analysed by a microspectrophotometric assay of single spores, and successful loading could be obtained by the application of ten electrical pulses (field strength 7.5 kV cm-1, half-life (time constant) 230 microseconds). Fura-2 was alternately excited by light of wavelengths 355 and 385 nm through an inverted fluorescence microscope, and the emitted fura-2 fluorescence was collected by a silicon-intensified video camera. The cytoplasmic calcium ion concentration was calculated from the ratio of the camera output obtained for both wavelengths and displayed by a pseudo-color technique. Spores responded to changes of the extracellular Ca2+ concentration, and this observation is considered as evidence that fura-2 is loaded into the cytoplasm. The substitution of a low external [Ca2+] (1 mM ethyleneglycol-bis(2-aminoethylether)-N,N,N',N'-tetraacetic acid (EGTA)) by 1 mM CaCl2 caused a fast increase of [Ca2+]i from approx. 50 nM to above 500 nM. In contrast, the subsequent substitution of CaCl2 by EGTA decreased [Ca2+]i again below 100 nM within 0.5 h. Furthermore, the application of ionomycin could initiate a change in [Ca2+]i according to the Ca2+ gradient established between the extracellular medium and cytoplasm. In spores sown on a Ca(2+) -free medium, [Ca2+]i, analysed in a buffer containing EGTA, was found to be around 50 nM during the first days of cultivation, independent of the irradiation protocol. However, if spores were grown in darkness on a Ca(2+) -containing medium and analysed in EGTA, [Ca2+]i was significantly higher (> or = 500 nM). In red-light-irradiated spores, [Ca2+]i was found to decrease with increasing time after irradiation, and was determined to be less than 100 nM when analysis was done 44 h after germination was initiated by the light treatment.

NASA Discipline Plant Biology↗
NASA NTRS1995

EDTA-insoluble, calcium-binding proteoglycan in bovine bone

A calcium ion precipitable, trypsin-generated proteoglycan fragment has been isolated from the demineralized, EDTA-insoluble matrices of bone. The demineralized matrix was completely digested with trypsin, increasing concentrations of CaCl2 were added to the supernatant, and the resulting precipitates were analyzed. The amount of precipitate gradually increased with higher concentrations of calcium and was reversibly solubilized by EDTA. After molecular sieve and anion exchange chromatography, a proteoglycan-containing peak was obtained. Immunochemical analysis showed that this peak contained chondroitin 4-sulfate and possibly keratan sulfate. Amino acid analysis showed that this proteoglycan contained high amounts of aspartic acid/asparagine (Asx), serine (Ser), glutamic acid/glutamine (Glx), proline (Pro), and glycine (Gly); however, it contained little leucine (Leu) which suggests that it is not a member of the leucine-rich small proteoglycan family. In addition, significant amounts of phosphoserine (P-Ser) and hydroxyproline (Hyp) were identified in hydrolysates of this fraction. A single band (M(r) 59 kDa) was obtained on SDS-PAGE that stained with Stains-all but not with Coomassie Brilliant Blue R-250. If bone powder was trypsinized prior to demineralization, this proteoglycan-containing fraction was not liberated. Collectively, these results indicate that a proteoglycan occurs in the demineralized matrix that is precipitated with CaCl2 and is closely associated with both mineral and collagen matrices. Such a molecule might facilitate the structural network for the induction of mineralization in bone.

NASA Program Space Physiology and Countermeasures↗
NASA NTRS1993

Mutations in the putative calcium-binding domain of polyomavirus VP1 affect capsid assembly

Calcium ions appear to play a major role in maintaining the structural integrity of the polyomavirus and are likely involved in the processes of viral uncoating and assembly. Previous studies demonstrated that a VP1 fragment extending from Pro-232 to Asp-364 has calcium-binding capabilities. This fragment contains an amino acid stretch from Asp-266 to Glu-277 which is quite similar in sequence to the amino acids that make up the calcium-binding EF hand structures found in many proteins. To assess the contribution of this domain to polyomavirus structural integrity, the effects of mutations in this region were examined by transfecting mutated viral DNA into susceptible cells. Immunofluorescence studies indicated that although viral protein synthesis occurred normally, infective viral progeny were not produced in cells transfected with polyomavirus genomes encoding either a VP1 molecule lacking amino acids Thr-262 through Gly-276 or a VP1 molecule containing a mutation of Asp-266 to Ala. VP1 molecules containing the deletion mutation were unable to bind 45Ca in an in vitro assay. Upon expression in Escherichia coli and purification by immunoaffinity chromatography, wild-type VP1 was isolated as pentameric, capsomere-like structures which could be induced to form capsid-like structures upon addition of CaCl2, consistent with previous studies. However, although VP1 containing the point mutation was isolated as pentamers which were indistinguishable from wild-type VP1 pentamers, addition of CaCl2 did not result in their assembly into capsid-like structures. Immunogold labeling and electron microscopy studies of transfected mammalian cells provided in vivo evidence that a mutation in this region affects the process of viral assembly.

Non-NASA Center↗
NASA NTRSDate not supplied

The Mineralogy and Cation Exchange of Sediments in Don Juan Pond, Antarctica Dry Valley: Implications for Mars

Located in the McMurdo Dry Valleys of Antarctica (MDV) is among of the saltiest bodies of water of Earth, Don Juan Pond (DJP)[1]. DJP pond waters are unique in that they contain nearly 40% salt by weight including 95% CaCl2 [1-5] and they never evaporate or freeze entirely due to the high hygroscopicity and low eutectic temperature of the CaCl2 brine (-52 ̊C) [6]. The source of DJP water is suggested to be due to groundwater upwelling through a weathered dolerite aquifer and/or near-surface runoff, including salt deliquescence in the pond’s watershed [7,8], however the source of water is still a topic of study. During the 2017-2018 field season, we collected soil samples and altered sediments on hillslopes and drainage basins near the pond (Fig. 1). Two drill bores were also acquired in Don Juan Pond sediments in a episodically flooded area of the pond basin. This study's objectives were to characterize the mineralogy of these soils and sediments to determine if there are mineralogical indicators and/or controls for the delivery of salts to DJP and understand the role of salts on Mars on these analog studies.

V M Tu↗
DOE OSTI2017

Solute mixing regulates heterogeneity of mineral precipitation in porous media

Here, synchrotron X-ray microtomography was used to track the spatiotemporal evolution of mineral precipitation and the consequent alteration of the pore structure. Column experiments were conducted by injecting CaCl 2 and NaHCO 3 solutions into granular porous media either as a premixed supersaturated solution (external mixing) or as separate solutions that mixed within the specimen (internal mixing). The two mixing modes produced distinct mineral growth patterns. While internal mixing promoted transverse heterogeneity with precipitation at the mixing zone, external mixing favored relatively homogeneous precipitation along the flow direction. The impact of precipitation on pore water flow and permeability was assessed via 3-D flow simulations, which indicated anisotropic permeability evolution for both mixing modes. Under both mixing modes, precipitation decreased the median pore size and increased the skewness of the pore size distribution. Such similar pore-scale evolution patterns suggest that the clogging of individual pores depends primarily on local supersaturation state and pore geometry.

42 ENGINEERING↗
DOE OSTI2019

Ion partitioning between brines and ion exchange polymers

Quantitative failure of the ideal Donnan model to predict ion partitioning between relatively dilute electrolyte aqueous solutions and ion exchange polymers arises from neglecting non-ideal behavior of ions. Hypothetically, when a water swollen, charged polymer is equilibrated with concentrated salt solutions, most of the fixed charge groups are neutralized by sorbed counter-ions, which can screen electrostatic effects and create, in the membrane, an environment thermodynamically similar to that experienced by ions in the external electrolyte solution. In this study, a combined experimental and theoretical approach was used to test this hypothesis. A fundamental study of ion partitioning between a cation exchange membrane based on cross-linked poly(p-styrene sulfonate-co-divinylbenzene) and NaCl and CaCl2 concentrated brines is presented. At high electrolyte concentrations, the experimentally measured ion activity coefficients in the membrane match those in the contiguous external solution, and the ideal Donnan model provides an accurate prediction of co-ion and counter-ion concentrations in the polymer. This physical picture was further confirmed by the recently developed Manning-Donnan model.

catalysis (heterogeneous)↗
DOE OSTI2022

Concentration Dependent Interfacial Chemistry of the NaOH(aq):Gibbsite Interface

Caustic conditions are often employed for dissolution of a wide variety of minerals, where ion sorption, surface diffusion, and interfacial organization impact surface reactivity. In the case of gibbsite, gamma-Al(OH)3, the chemistry at the NaOH(aq) interface is deeply intertwined with industrial processing of aluminum, including metal production and the disposition of Al-containing wastes. To date, little is known about the structure, speciation, and dynamic behavior of gibbsite interfaces (and that of many other minerals) with NaOH(aq)—particularly as a function of ionic strength. Yet concentration-dependent interfacial organization and dynamics are a critical starting point to develop a fundamental understanding of the factors that influence dissolution. This work reports equilibrium molecular dynamics simulations of the gamma-Al(OH)3:NaOH(aq) interface, revealing the sorption behavior and speciation of ions from 0.5–10 M [NaOH]. As inner-sphere complexes, Na+ primarily coordinates to the side of the gibbsite hexagonal cavities, while OH accepts hydrogen-bonding from the surface-OH groups. The mobility of inner-sphere Na+ and OH ions is significantly reduced due to a strong surface affinity in comparison to previous reports of NaCl, CaCl2, or BaCl2 electrolytes. At high [NaOH], contact ion pairing that is observed in the bulk solution is partially disrupted upon sorption to the gibbsite surface by the individual ion–surface interactions. The molecular-scale changes to surface speciation and competition between ion–surface vs. ion–ion interactions influence surface characterization of gibbsite and potential dissolution processes, providing a valuable baseline for starting conditions needed within future reactive molecular simulations.

alkaline solutions, IDREAM, gibbsite, molecular dy↗
DOE OSTI2017

Quantitative analysis of total reflection X-ray fluorescence from finely layered structures using XeRay

Total reflection x-ray fluorescence (TXRF) is a widely applicable experimental technique for studying chemical element distributions across finely layered structures at extremely high sensitivity. To promote and facilitate scientific discovery using TXRF, we developed a MATLAB-based software package with a graphical user interface, named XeRay, for quick, accurate, and intuitive data analysis. XeRay lets the user model any layered system, each layer with its independent chemical composition and thickness, and enables fine-tuned data fitting. The accuracy of XeRay has been tested in the analysis of TXRF data from both air/liquid interface and liquid/liquid interfacial studies and has been compared to literature results. In an air/liquid interface study, Ca 2+ sequestration was measured at a Langmuir monolayer of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphatidic acid (SOPA) on a buffer solution of 1 mM CaCl2 at pH 7.5. Data analysis with XeRay reveals that each 1 nm2 of interfacial area contains 2.38 ± 0.06 Ca 2+ ions, which corresponds to a 1:1 ratio between SOPA headgroups and Ca 2+ ions, consistent with several earlier reports. For the liquid/liquid interface study of Sr 2+ enrichment at the dodecane/surfactant/water interface, analysis using XeRay gives a surface enrichment of Sr 2+ at $68^{+6}_{-5}$ Å 2 per ion, consistent with the result published for the same dataset.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Estimation of Cadmium uptake by tobacco plants from laboratory leaching tests

The objective of the present study was to determine the impact of cadmium (Cd) concentration in the soil on its uptake by tobacco plants, and to compare the ability of diverse extraction procedures for determining Cd bioavailability and predicting soil-to-plant transfer and Cd plant concentrations. The pseudo-total digestion procedure, modified Tessier sequential extraction and six standard single-extraction tests for estimation of metal mobility and bioavailability were used for the leaching of Cd from a native soil, as well as samples artificially contaminated over a wide range of Cd concentrations. The results of various leaching tests were compared between each other, as well as with the amounts of Cd taken up by tobacco plants in pot experiments. In the native soil sample, most of the Cd was found in fractions not readily available under natural conditions, but with increasing pollution level, Cd amounts in readily available forms increased. With increasing concentrations of Cd in the soil, the quantity of pollutant taken up in tobacco also increased, while the transfer factor (TF) decreased. Linear and non-linear empirical models were developed for predicting the uptake of Cd by tobacco plants based on the results of selected leaching tests. The non-linear equations for ISO 14870 (diethylenetriaminepentaacetic acid extraction - DTPA), ISO/TS 21268-2 (CaCl2 leaching procedure), US EPA 1311 (toxicity characteristic leaching procedure - TCLP) single step extractions, and the sum of the first two fractions of the sequential extraction, exhibited the best correlation with the experimentally determined concentrations of Cd in plants over the entire range of pollutant concentrations. This approach can improve and facilitate the assessment of human exposure to Cd by tobacco smoking, but may also have wider applicability in predicting soil-to-plant transfer.

02 PETROLEUM↗
DOE OSTI2014

WE-D-BRF-05: Quantitative Dual-Energy CT Imaging for Proton Stopping Power Computation

Purpose: To extend the two-parameter separable basis-vector model (BVM) to estimation of proton stopping power from dual-energy CT (DECT) imaging. Methods: BVM assumes that the photon cross sections of any unknown material can be represented as a linear combination of the corresponding quantities for two bracketing basis materials. We show that both the electron density (ρe) and mean excitation energy (Iex) can be modeled by BVM, enabling stopping power to be estimated from the Bethe-Bloch equation. We have implemented an idealized post-processing dual energy imaging (pDECT) simulation consisting of monogenetic 45 keV and 80 keV scanning beams with polystyrene-water and water-CaCl2 solution basis pairs for soft tissues and bony tissues, respectively. The coefficients of 24 standard ICRU tissue compositions were estimated by pDECT. The corresponding ρe, Iex, and stopping power tables were evaluated via BVM and compared to tabulated ICRU 44 reference values. Results: BVM-based pDECT was found to estimate ρe and Iex with average and maximum errors of 0.5% and 2%, respectively, for the 24 tissues. Proton stopping power values at 175 MeV, show average/maximum errors of 0.8%/1.4%. For adipose, muscle and bone, these errors result range prediction accuracies less than 1%. Conclusion: A new two-parameter separable DECT model (BVM) for estimating proton stopping power was developed. Compared to competing parametric fit DECT models, BVM has the comparable prediction accuracy without necessitating iterative solution of nonlinear equations or a sample-dependent empirical relationship between effective atomic number and Iex. Based on the proton BVM, an efficient iterative statistical DECT reconstruction model is under development.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Calcium-Antimony Alloys as Electrodes for Liquid Metal Batteries

The performance of a calcium-antimony (Ca-Sb) alloy serving as the positive electrode in a Ca vertical bar vertical bar Sb liquid metal battery was investigated in an electrochemical cell, Ca(in Bi) vertical bar LiCl-NaCl-CaCl2 vertical bar Ca(in Sb). The equilibrium potential of the Ca-Sb electrode was found to lie on the interval, 1.2-0.95 V versus Ca, in good agreement with electromotive force (emf) measurements in the literature. During both alloying and dealloying of Ca at the Sb electrode, the charge transfer and mass transport at the interface are facile enough that the electrode potential varies linearly from 0.95 to 0.75 V vs Ca(s) as current density varies from 50 to 500 mA cm(-2). The discharge capacity of the Ca vertical bar vertical bar Sb cells increases as the operating temperature increases due to the higher solubility and diffusivity of Ca in Sb. The cell was successfully cycled with high coulombic efficiency (similar to 100%) and small fade rate (<0.01% cycle(-1)). These data combined with the favorable costs of these metals and salts make the Ca vertical bar vertical bar Sb liquid metal battery attractive for grid-scale energy storage. (C) The Author(s) 2014. Published by ECS. All rights reserved.

Ouchi, T↗
DOE OSTI2020

Soil chemistry data across a catena in the Luquillo Experimental Forest, Puerto Rico

Landscape topography can influence biogeochemical processes across the wet tropical forest soils. This dataset contains soil chemistry data such as pH and dissolved organic carbon (DOC) from April 1, 2017 to May 1, 2018 across a catena in the Luquillo Experimental Forest, Puerto Rico. The attached CSV file contains information on sampling date, location (El Verde field station) in LEF, topographic positions (ridge, slope, and valley, respectively), field replicate number, laboratory replicate number, water extractable pH, CaCl2 extractable pH, and DOC (unit: mg/g). Overall, soil pH values were highest in the valley, followed by slope, and lowest in the ridge topographic positions. However, DOC values followed the opposite trend: ridge>slope>valley. This dataset can facilitate our understanding of the biogeochemical cycling of carbon and nutrient associated with complex topography in wet tropical forest soils.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Evaluating the Persistence of Soil Carbon After a 30-Year Nitrogen Fertilization Experiment at the Fernow Experimental Forest, WV

We sampled soils in a previously nitrogen (N)-fertilized watershed (Watershed 3), which received 35 kg N per hectare annually for 30 years, and a reference watershed (Watershed 7), 4 years after the end of a 30-year N fertilization experiment at the Fernow Experimental Forest in West Virginia. As N deposition has reduced soil pH and plant carbon (C) investments into the rhizosphere, we compared the extent to which removing these potential limitations to microbial decomposition by increasing soil pH, adding artificial root exudates, or elevating soil temperature would increase microbial decomposition (and soil C losses) in soils that have and have not received excess N inputs. As such, we incubated soils with and without the addition of artificial root exudates and dolomitic lime (2 amendment treatments and 1 untreated control), at three different temperatures (15, 20, and 25 C) to simulate warming. We measured soil respiration, enzyme activity (acid phosphatase, N -acetyl-β-glucosaminidase, beta-glucosidase, phenol oxidase, and peroxidase), and microbial biomass carbon in a 15-week microcosm experiment. All of the datasheets include the metadata for all of the treatment combinations from this incubation experiment (ID, incubation temperature, treatment, watershed).The "Soil_Chemistry_Data.csv" data includes (1) the ratio of dry soil weight (g) by wet (or fresh) soil weight (g) after 72 hours at 65 C, (2) the wet (or fresh) weight of the soil samples used to determine soil pH, and (3) soil pH, which was measured in CaCl2. Detailed methods for the measurements of soil pH are described in the datasheet itself.The "Respiration_Data.csv" data includes (1) respiration day for the measurement, and (2) cumulative CO2 respiration (mmol) measured in the microcosms on specific days.The "Microbial_Biomass_Data.csv" data includes (1) mmol microbial biomass carbon per g (dry weight) of soil in each microcosm.The "Enzyme_Data.csv" data includes (1) all extracellular soil enzyme activity (N-acetyl-glucosaminidase (NAG), acid phosphatase (AP), β-glucosidase (BG), phenol oxidase and peroxidase) that we measured in our microcosms.

54 ENVIRONMENTAL SCIENCES↗