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Autogenous formation and smart behaviors of nitrite- and nitrate-intercalated layered double hydroxides (LDHs) in Portland cement-metakaolin-dolomite blends

In this work, the influence of sodium nitrite (NaNO{sub 2}) and sodium nitrate (NaNO{sub 3}) corrosion inhibitors on the composition, structure, and chloride binding behaviors of layered double hydroxides (LDHs) formed in ternary ordinary Portland cement-metakaolin-dolomite (OPC-MK-DM) systems is studied. The results show that the nitrite and nitrate anions are preferably intercalated in the CaAl LDHs (AFm phases), but not in the MgAl LDHs (hydrotalcite-type phases) due to its limited formation in these ternary cementitious systems cured at ambient temperature. The autogenously formed nitrate- and nitrite-AFm phases are decomposed upon chloride exposure accompanied by Friedel's salts formation, potentially releasing corrosion inhibitive ions to the pore solution in a progressive manner. The NaNO{sub 2} and NaNO{sub 3} incorporation in ternary OPC-MK-DM binders marginally lowers chloride binding capacity but reduces its penetration resistance mainly due to pore coarsening. Nevertheless, a strong linear correlation can be established between the water-soluble and total chloride contents in ternary OPC-MK-DM systems, regardless of OPC replacement level and corrosion inhibitor incorporation.

36 MATERIALS SCIENCE↗

Strain rate dependent nanostructure of hydrogels with reversible hydrophobic associations during uniaxial extension

An energy dissipation mechanism during deformation is required to impart toughness to hydrogels. Here we describe how in situ small angle X-ray scattering (SAXS) provides insight into possible energy dissipation mechanisms for a tough hydrogel based on an amphiphilic copolymer where nanoscale associations of the hydrophobic moieties act as effective crosslinks. The mechanical properties of the hydrogels are intimately coupled with the nanostructure that provides reversible crosslinks and evolves during deformation. As the extension rate increases, more mechanical energy is dissipated from rearrangements of the crosslinks. The scattering is consistent with hopping of hydrophobes between the nanoscale aggregates as the primary rearrangement mechanism. This rearrangement changes the network conformation that leads to non-affine deformation, where the change in the nanostructure dimension from SAXS is less than 15% of the total macroscopic strain. These nanostructure changes are rate dependent and correlated with the relaxation time of the hydrogel. At low strain rate (0.15% s -1 ), no significant change of the nanostructure was observed, whereas at higher strain rates (1.5% s -1 and 8.4% s -1 ) significant nanostructure anisotropy occurred during extension. These differences are attributed to the ability for the network chains to rearrange on the time scale of the deformation; when the characteristic time for extension is longer than the average segmental relaxation time, no significant change in nanostructure occurs on uniaxial extension. These results illustrate the importance of strain rate in the mechanical characterization and consideration of relaxation time in the design of tough hydrogels with reversible crosslinks.

36 MATERIALS SCIENCE↗

Development of Neutron Energy Spectral Signatures for Passive Monitoring of Spent Nuclear Fuels in Dry Cask Storage

Demand for spent nuclear fuel dry casks as an interim storage solution has increased globally and the IAEA has expressed a need for robust safeguards and verification technologies for ensuring the continuity of knowledge and the integrity of radioactive materials inside spent fuel casks. Existing research has been focusing on “fingerprinting” casks based on count rate statistics to represent radiation emission signatures. The current research aims to expand to include neutron energy spectral information as part of the fuel characteristics. First, spent fuel composition data are taken from the Next Generation Safeguards Initiative Spent Fuel Libraries, representative for Westinghouse 17 x 17 PWR assemblies. The ORIGEN-S code then calculates the spontaneous fission and (α,n) emissions for individual fuel rods, followed by detailed MCNP simulations of neutrons transported through the fuel assemblies. A comprehensive database of neutron energy spectral profiles is to be constructed, with different enrichment, burn-up, and cooling time conditions. The end goal is to utilize the computational spent fuel library, predictive algorithm, and a pressurized 4 He scintillator to verify the spent fuel assemblies inside a cask. This work identifies neutron spectral signatures that correlate with the cooling time of spent fuel. Both the total and relative contributions from spontaneous fission and (α,n) change noticeably with respect to cooling time, due to the relatively short half-life (18 years) of the major neutron source 244 Cm. Identification of this and other neutron spectral signatures allows the characterization of spent nuclear fuels in dry cask storage.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Probing the galaxy–halo connection with total satellite luminosity

ABSTRACT We demonstrate how the total luminosity in satellite galaxies is a powerful probe of dark matter haloes around central galaxies. The method cross-correlates central galaxies in spectroscopic galaxy samples with fainter galaxies detected in photometric surveys. Using models, we show that the total galaxy luminosity, Lsat, scales linearly with host halo mass, making Lsat an excellent proxy for Mh. Lsat is also sensitive to the formation time of the halo. We demonstrate that probes of galaxy large-scale environment can break this degeneracy. Although this is an indirect probe of the halo, it yields a high signal-to-noise ratio measurement for galaxies expected to occupy haloes at <1012 M⊙, where other methods suffer from larger errors. In this paper, we focus on observational and theoretical systematics in the Lsat method. We test the robustness of our method of finding central galaxies and our methods of estimating the number of background galaxies. We implement this method on galaxies in the Sloan Digital Sky Survey (SDSS) data, with satellites identified in fainter imaging data. We find excellent agreement between our theoretical predictions and the observational measurements. Finally, we compare our Lsat measurements to weak lensing estimates of Mh for red and blue subsamples. In the stellar mass range where the measurements overlap, we find consistent results, where red galaxies live in larger haloes. However, the Lsat approach allows us to probe significantly lower mass galaxies. At these masses, the Lsat values are equivalent. This example shows the potential of Lsat as a probe of dark haloes.

79 ASTRONOMY AND ASTROPHYSICS↗

WE-DE-207B-04: Quantitative Contrast-Enhanced Spectral Mammography Based On Photon-Counting Detectors: A Feasibility Study

Purpose: To investigate the feasibility of accurate quantification of iodine mass thickness in contrast-enhanced spectral mammography. Methods: Experimental phantom studies were performed on a spectral mammography system based on Si strip photon-counting detectors. Dual-energy images were acquired using 40 kVp and a splitting energy of 34 keV with 3 mm Al pre-filtration. The initial calibration was done with glandular and adipose tissue equivalent phantoms of uniform thicknesses and iodine disk phantoms of various concentrations. A secondary calibration was carried out using the iodine signal obtained from the dual-energy decomposed images and the known background phantom thicknesses and densities. The iodine signal quantification method was validated using phantoms composed of a mixture of glandular and adipose materials, for various breast thicknesses and densities. Finally, the traditional dual-energy weighted subtraction method was also studied as a comparison. The measured iodine signal from both methods was compared to the known iodine concentrations of the disk phantoms to characterize the quantification accuracy. Results: There was good agreement between the iodine mass thicknesses measured using the proposed method and the known values. The root-mean-square (RMS) error was estimated to be 0.2 mg/cm2. The traditional weighted subtraction method also predicted a linear correlation between the measured signal and the known iodine mass thickness. However, the correlation slope and offset values were strongly dependent on the total breast thickness and density. Conclusion: The results of the current study suggest that iodine mass thickness can be accurately quantified with contrast-enhanced spectral mammography. The quantitative information can potentially improve the differentiation between benign and malignant legions. Grant funding from Philips Medical Systems.

60 APPLIED LIFE SCIENCES↗

WE-H-BRC-09: Simulated Errors in Mock Radiotherapy Plans to Quantify the Effectiveness of the Physics Plan Review

Purpose: A standard tool for ensuring the quality of radiation therapy treatments is the initial physics plan review. However, little is known about its performance in practice. The goal of this study is to measure the effectiveness of physics plan review by introducing simulated errors into “mock” treatment plans and measuring the performance of plan review by physicists. Methods: We generated six mock treatment plans containing multiple errors. These errors were based on incident learning system data both within the department and internationally (SAFRON). These errors were scored for severity and frequency. Those with the highest scores were included in the simulations (13 errors total). Observer bias was minimized using a multiple co-correlated distractor approach. Eight physicists reviewed these plans for errors, with each physicist reviewing, on average, 3/6 plans. The confidence interval for the proportion of errors detected was computed using the Wilson score interval. Results: Simulated errors were detected in 65% of reviews [51–75%] (95% confidence interval [CI] in brackets). The following error scenarios had the highest detection rates: incorrect isocenter in DRRs/CBCT (91% [73–98%]) and a planned dose different from the prescribed dose (100% [61–100%]). Errors with low detection rates involved incorrect field parameters in record and verify system (38%, [18–61%]) and incorrect isocenter localization in planning system (29% [8–64%]). Though pre-treatment QA failure was reliably identified (100%), less than 20% of participants reported the error that caused the failure. Conclusion: This is one of the first quantitative studies of error detection. Although physics plan review is a key safety measure and can identify some errors with high fidelity, others errors are more challenging to detect. This data will guide future work on standardization and automation. Creating new checks or improving existing ones (i.e., via automation) will help in detecting those errors with low detection rates.

60 APPLIED LIFE SCIENCES↗

Inner Engineering Practices and Advanced 4-day Isha Yoga Retreat Are Associated with Cannabimimetic Effects with Increased Endocannabinoids and Short-Term and Sustained Improvement in Mental Health: A Prospective Observational Study of Meditators

Anxiety and depression are common in the modern world, and there is growing demand for alternative therapies such as meditation. Meditation can decrease perceived stress and increase general well-being, although the physiological mechanism is not well-characterized. Endocannabinoids (eCBs), lipid mediators associated with enhanced mood and reduced anxiety/depression, have not been previously studied as biomarkers of meditation effects. Our aim was to assess biomarkers (eCBs and brain-derived neurotrophic factor [BDNF]) and psychological parameters after a meditation retreat. Methods. This was an observational pilot study of adults before and after the 4-day Isha Yoga Bhava Spandana Program retreat. Participants completed online surveys (before and after retreat, and 1 month later) to assess anxiety, depression, focus, well-being, and happiness through validated psychological scales. Voluntary blood sampling for biomarker studies was done before and within a day after the retreat. The biomarkers anandamide, 2-arachidonoylglycerol (2-AG), 1-arachidonoylglycerol (1-AG), docosatetraenoylethanolamide (DEA), oleoylethanolamide (OLA), and BDNF were evaluated. Primary outcomes were changes in psychological scales, as well as changes in eCBs and BDNF. Results. Depression and anxiety scores decreased while focus, happiness, and positive well-being scores increased immediately after retreat from their baseline values (P < 0.001). All improvements were sustained 1 month after BSP. All major eCBs including anandamide, 2-AG, 1-AG, DEA, and BDNF increased after meditation by > 70% (P < 0.001). Increases of ≥20% in anandamide, 2-AG, 1-AG, and total AG levels after meditation from the baseline had weak correlations with changes in happiness and well-being. Conclusions. A short meditation experience improved focus, happiness, and positive well-being and reduced depression and anxiety in participants for at least 1 month. Participants had increased blood eCBs and BDNF, suggesting a role for these biomarkers in the underlying mechanism of meditation. Meditation is a simple, organic, and effective way to improve well-being and reduce depression and anxiety.

59 BASIC BIOLOGICAL SCIENCES↗

Tunable current circulation in triangular quantum-dot metastructures

Advances in fabrication and control of quantum dots allow the realization of metastructures that may exhibit novel electrical transport phenomena. In this work, we investigate the electrical current passing through one such metastructure, a system composed of quantum dots placed at the vertices of a triangle. The wave nature of quantum particles leads to internal current circulation within the metastructure in the absence of any external magnetic field. We uncover the relation between the metastructure steady-state total current and the internal circulation. By calculating the electronic correlations in quantum transport exactly, we present phase diagrams showing where different types of current circulation can be found as a function of the correlation strength and the coupling between the quantum dots. Finally, we show that the regimes of current circulation can be further enhanced or reduced depending on the local spatial distribution of the interactions, suggesting a single-particle scattering mechanism is at play even in the strongly correlated regime. We suggest experimental realizations of actual quantum-dot metastructures where our predictions can be directly tested.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Single versus successive pop-in modes in nanoindentation tests of single crystals

From recent nanoindentation experiments, two types of pop-in modes have been identified: a single pop-in with a large displacement excursion, or a number of pop-ins with comparable and small displacement excursions. Theoretical analyses are developed here to study the roles played by indenter tip radius, pre-existing defect density, heterogeneous nucleation source type, and lattice resistance on the pop-in modes. The evolution of dislocation structures in earlier pop-ins provides input to modeling a stochastic, heterogeneous mechanism that may be responsible for the subsequent pop-ins. It is found that when the first pop-in occurs near theoretical shear stress, the pop-in mode is determined by the lattice resistance and tip radius. When the first pop-in occurs at low shear stress, whether the successive pop-in mode occurs depends on how the heterogeneous dislocation nucleation source density increases as compared to the increase of the total dislocation density. Lastly, the above transitions are found to correlate well with the ratio of indenter tip radius to the mean spacing of dislocation nucleation sources.

36 MATERIALS SCIENCE↗

Atomically Precise Metal Nanoclusters for Catalytic Application

The central goal of this project is to explore the catalytic application of atomically precise gold nanoclusters. By solving the total structures of ligand-protected nanoclusters, we aim to correlate the catalytic properties of metal nanoclusters with their atomic/electronic structures. Such correlation unravel some fundamental aspects of nanocatalysis, such as the nature of particle size effect, origin of catalytic selectivity, particle-support interactions, the identification of catalytically active centers, etc. The well-defined nanocluster catalysts mediate the knowledge gap between single crystal model catalysts and real-world conventional nanocatalysts. These nanoclusters also hold great promise in catalyzing certain types of reactions with extraordinarily high selectivity. These aims are in line with the overall goals of the catalytic science and technology of DOE and advance the BES mission “to support fundamental research to understand, predict, and ultimately control matter and energy at the level of electrons, atoms, and molecules”. Our group has successfully prepared different sized, robust gold nanoclusters protected by thiolates, such as Au 25 (SR) 18 , Au 28 (SR) 20 , Au 38 (SR) 24 , Au 99 (SR) 42 , Au 144 (SR) 60 , etc. Some of these nanoclusters have been crystallographically characterized through X-ray crystallography. These ultrasmall nanoclusters (< 2 nm diameter) exhibit discrete electronic structures due to quantum size effect, as opposed to quasicontinuous band structure of conventional metal nanoparticles or bulk metals. The available atomic structures (metal core plus surface ligands) of nanoclusters serve as the basis for structure-property correlations. We have investigated the unique catalytic properties of nanoclusters (i.e. not observed in conventional nanogold catalysts) and revealed the structure-selectivity relationships. Highlights of our works include: i) Effects of ligand, cluster charge state, and size on the catalytic reactivity in CO oxidation, semihydrogenation of alkynes; ii) Size-controlled synthesis of Au-n clusters and structural elucidation; iii) Catalytic mechanisms and correlation with structures of cluster catalyst; iv) Catalytic properties of Au nanorods in chemoselective hydrogenation of nitrobenzaldehyde and visible light driven photocatalytic reactions.

02 PETROLEUM↗

A STATISTICAL STUDY OF FLARE PRODUCTIVITY ASSOCIATED WITH SUNSPOT PROPERTIES IN DIFFERENT MAGNETIC TYPES OF ACTIVE REGIONS

It is often believed that intense flares preferentially originate from the large-size active regions (ARs) with strong magnetic fields and complex magnetic configurations. This work investigates the dependence of flare activity on the AR properties and clarifies the influence of AR magnetic parameters on the flare productivity, based on two data sets of daily sunspot and flare information as well as the GOES soft X-ray measurements and HMI vector magnetograms. By considering the evolution of magnetic complexity, we find that flare behaviors are quite different in the short- and long-lived complex ARs and the ARs with more complex magnetic configurations are likely to host more impulsive and intense flares. Furthermore, we investigate several magnetic quantities and perform the two-sample Kolmogorov–Smirnov test to examine the similarity/difference between two populations in different types of ARs. Our results demonstrate that the total source field strength on the photosphere has a good correlation with the flare activity in complex ARs. It is noted that intense flares tend to occur at the regions of strong source field in combination with an intermediate field-weighted shear angle. This result implies that the magnetic free energy provided by a complex AR could be high enough to trigger a flare eruption even with a moderate magnetic shear on the photosphere. We thus suggest that the magnetic free energy represented by the source field rather than the photospheric magnetic complexity is a better quantity to characterize the flare productivity of an AR, especially for the occurrence of intense flares.

79 ASTRONOMY AND ASTROPHYSICS↗

A millimeter Continuum Size–Luminosity Relationship for Protoplanetary Disks

We present a survey at subarcsecond resolution of the 340 GHz dust continuum emission from 50 nearby protoplanetary disks, based on new and archival observations with the Submillimeter Array. The observed visibility data were modeled with a simple prescription for the radial surface brightness profile. The results were used to extract intuitive, empirical estimates of the emission “size” for each disk, R{sub eff}, defined as the radius that encircles a fixed fraction of the total continuum luminosity, L{sub mm}. We find a significant correlation between the sizes and luminosities, such that R{sub eff}∝L{sub mm}{sup 0.5}, providing a confirmation and quantitative characterization of a putative trend that was noted previously. This correlation suggests that these disks have roughly the same average surface brightness interior to their given effective radius, ∼0.2 Jy arcsec{sup −2} (or 8 K in brightness temperature). The same trend remains, but the 0.2 dex of dispersion perpendicular to this relation essentially disappears, when we account for the irradiation environment of each disk with a crude approximation of the dust temperatures based on the stellar host luminosities. We consider two (not mutually exclusive) explanations for the origin of this size–luminosity relationship. Simple models of the growth and migration of disk solids can account for the observed trend for a reasonable range of initial conditions, but only on timescales that are much shorter than the nominal ages present in the sample. An alternative scenario invokes optically thick emission concentrated on unresolved scales, with filling factors of a few tens of percent, which is perhaps a manifestation of localized particle traps.

79 ASTRONOMY AND ASTROPHYSICS↗

The Downwind Hemisphere of the Heliosphere: Eight Years of IBEX -Lo Observations

We present a comprehensive study of energetic neutral atoms (ENAs) of 10 eV to 2.5 keV from the downwind hemisphere of the heliosphere. These ENAs are believed to originate mostly from pickup protons and solar wind protons in the inner heliosheath. This study includes all low-energy observations made with the Interstellar Boundary Explorer over the first 8 years. Since the protons around 0.1 keV dominate the plasma pressure in the inner heliosheath in downwind direction, these ENA observations offer the unique opportunity to constrain the plasma properties and dimensions of the heliosheath where no in-situ observations are available. We first derive energy spectra of ENA intensities averaged over time for 49 macropixels covering the entire downwind hemisphere. The results confirm previous studies regarding integral intensities and the roll-over around 0.1 keV energy. With the expanded dataset we now find that ENA intensities at 0.2 and 0.1 keV seem to anti-correlate with solar activity. We then derive the product of total plasma pressure and emission thickness of protons in the heliosheath to estimate lower limits on the thickness of the inner heliosheath. The temporally averaged ENA intensities support a rather spherical shape of the termination shock and a heliosheath thickness between 150 and 210 au for most regions of the downwind hemisphere. Around the nominal downwind direction of 76° ecliptic longitude, the heliosheath is at least 280 au thick. There, the neutral hydrogen density seems to be depleted compared to upwind directions by roughly a factor of 2.

79 ASTRONOMY AND ASTROPHYSICS↗

Variational energy principle for compressible, baroclinic flow. 2: Free-energy form of Hamilton's principle

The first and second variations are calculated for the irreducible form of Hamilton's Principle that involves the minimum number of dependent variables necessary to describe the kinetmatics and thermodynamics of inviscid, compressible, baroclinic flow in a specified gravitational field. The form of the second variation shows that, in the neighborhood of a stationary point that corresponds to physically stable flow, the action integral is a complex saddle surface in parameter space. There exists a form of Hamilton's Principle for which a direct solution of a flow problem is possible. This second form is related to the first by a Friedrichs transformation of the thermodynamic variables. This introduces an extra dependent variable, but the first and second variations are shown to have direct physical significance, namely they are equal to the free energy of fluctuations about the equilibrium flow that satisfies the equations of motion. If this equilibrium flow is physically stable, and if a very weak second order integral constraint on the correlation between the fluctuations of otherwise independent variables is satisfied, then the second variation of the action integral for this free energy form of Hamilton's Principle is positive-definite, so the action integral is a minimum, and can serve as the basis for a direct trail and error solution. The second order integral constraint states that the unavailable energy must be maximum at equilibrium, i.e. the fluctuations must be so correlated as to produce a second order decrease in the total unavailable energy.

Schmid, L. A.↗

Reaction diffusion in the NiCrAl and CoCrAl systems

The paper assesses the effect of overlay coating and substrate composition on the kinetics of coating depletion by interdiffusion. This is accomplished by examining the constitution, kinetics and activation energies for a series of diffusion couples primarily of the NiCrAl/Ni-10Cr or CoCrAl/Ni-10Cr type annealed at temperatures in the range 1000-1205 C for times up to 500 hr. A general procedure is developed for analyzing diffusion in multicomponent multiphase systems. It is shown that by introducing the concept of beta-source strength, which can be determined from appropriate phase diagrams, the Wagner solution for consumption of a second phase in a semiinfinite couple is successfully applied to the analysis of MCrAl couples. Thus, correlation of beta-recession rate constants with couple composition, total and diffusional activation energies, and interdiffusion coefficients are determined.

Levine, S. R.↗

Hydrogen chloride partitioning in a Titan III exhaust cloud diluted with ambient air

Measurements and analysis are presented of the partitioning of HCl between hydrochloric acid aerosol and gaseous HCl in a Titan III exhaust cloud, as the cloud is diluted with humid ambient air. Partitioning was determined by measuring the gaseous HCl concentration with a recently developed airborne Gas Filter Correlation detector and simultaneously with a chemiluminescence detector which measures total HCl. Although equilibrium predictions for HCl aerosol formation indicated that no HCl aerosol should exist in the exhaust cloud for the meteorological conditions of this launch, the measurements indicated significant HCl aerosol formation. These measurements will provide verification for advanced modeling programs now under development.

Sebacher, D. I.↗

Aerodynamic performances of three fan stator designs operating with rotor having tip speed of 337 meters per second and pressure ratio of 1.54. Relation of analytical code calculations to experimental performance

A hub-to-shroud and a blade-to-blade internal-flow analysis code, both inviscid and basically subsonic, were used to calculate the flow parameters within four stator-blade rows. The produced ratios of maximum suction-surface velocity to trailing-edge velocity correlated well in the midspan region, with the measured total-parameters over the minimum-loss to near stall operating range for all stators and speeds studied. The potential benefits of a blade designed with the aid of these flow analysis codes are illustrated by a proposed redesign of one of the four stators studied. An overall efficiency improvement of 1.6 points above the peak measured for that stator is predicted for the redesign.

Gelder, T. F.↗

Analysis of ocean color scanner data from the Superflux III Experiment

The scanner collected data on October 15, 20, and 22, 1980. Single-channel gray-scale data products generated 5 minutes after the scanner were collected and showed details of the Chesapeake plume structure, suggesting that this quick-look capability could have potential use for experiments in real time. The Chesapeake Bay plume extended offshore about 5 nautical miles on October 15, and 7 nautical miles on October 20. Using the October 15 1980, data, a correlation coefficient of r = 0.889 was obtained between chlorophyll 'A' and the ratio of band 7 (664-684 nanometers) to band 9 (746-766 nanometers). This ratio was then used to calculate the average surface chlorophyll 'A' concentration of the water flowing out of the Chesapeak Bay. A ratio from the Ocean Color Scanner bands was created to simulate the ratio that the Multichannel Ocean Color Sensor uses to calculate chlorophyll A concentrations. Using the October 15, 1980, data set, this ratio has a correlation coefficient of r = -0.739 with the log of the chlorophyll 'A' and the ratio of band 2 minus band 4 to band 2 plus band 4 of the Ocean Color Scanner. No correlation is found between the Ocean Color Scanner data and total suspended solid measurements made on October 15, 1980.

Ohlhorst, C. W.↗