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DOE OSTI2020

Designing clay-polymer nanocomposite sorbents for water treatment: A review and meta-analysis of the past decade

Clay-polymer nanocomposites (CPNs) have been studied for two decades as sorbents for water pollutants, but their applicability remains limited. Our aim in this review is to present the latest progress in CPN research using a meta-analysis approach and identify key steps necessary to bridge the gap between basic research and CPN application. Based on results extracted from 99 research articles on CPNs and 8 review articles on other widely studies sorbents, CPNs had higher adsorption capacities for several inorganic and organic pollutant classes (including heavy metals, oxyanions, and dyes, n = 308 observations). We applied principal component analysis, analysis of variance, and multiple linear regressions to test how CPN and pollutant properties correlated with Langmuir adsorption model coefficients. While adsorption was, surprisingly, not influenced by mineral properties, it was influenced by CPN fabrication method, polymer functional groups, and pollutant properties. For example, among the pollutant classes, heavy metals had the highest adsorption capacity but the lowest adsorption affinity. Conversely, dyes had high adsorption affinities, as reflected by the linear correlation between adsorption affinity and pollutant molecular weight. Scaling from ‘basic research’ to ‘technological application’ requires testing CPN performance in real water, application in columns, comparison to commercial sorbents, regeneration, and cost evaluation. However, our survey indicates that of the 158 observations, only 20 compared the CPN's performance to that of a commercial sorbent. We anticipate that this review will promote the design of smart and functional CPNs, which can then evolve into an effective water treatment technology.

42 ENGINEERING↗

DOE OSTI2011

Bell-inequality tests with macroscopic entangled states of light

Quantum correlations may violate the Bell inequalities. Most experimental schemes confirming this prediction have been realized in all-optical Bell tests suffering from the detection loophole. Experiments which simultaneously close this loophole and the locality loophole are highly desirable and remain challenging. An approach to loophole-free Bell tests is based on amplification of the entangled photons (i.e., on macroscopic entanglement), for which an optical signal should be easy to detect. However, the macroscopic states are partially indistinguishable by classical detectors. An interesting idea to overcome these limitations is to replace the postselection by an appropriate preselection immediately after the amplification. This is in the spirit of state preprocessing revealing hidden nonlocality. Here, we examine one of the possible preselections, but the presented tools can be used for analysis of other schemes. Filtering methods making the macroscopic entanglement useful for Bell tests and quantum protocols are the subject of an intensive study in the field nowadays.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Regional radiation dose susceptibility within the parotid gland: Effects on salivary loss and recovery

Purpose: Xerostomia is one of the most likely late toxic effects of radiotherapy treatment in patients with head-and-neck cancers. Modern treatment techniques can incorporate knowledge of complication risk into treatment plans. To this end, the authors attempt to quantify the regional radiotherapy dose-dependence of salivary output loss and recovery in a prospective study. Methods: Salivary output was collected from patients undergoing radiotherapy treatment for head-and-neck cancers at the BC Cancer Agency between February 2008 and May 2013. Regional dose-dependence (i.e., dose susceptibility) of loss and recovery is quantified using nonparametric (Spearman’s rank correlation coefficients, local linear regression) and parametric (least-sum of squares, least-median of squares) techniques. Results: Salivary flow recovery was seen in 79 of 102 patients considered (p < 0.0001, Wilcoxon sign rank test). Output loss was strongly correlated with left- and right parotid combined dose φ = min (D{sub L}, 45 Gy) + min (D{sub R}, 45 Gy), and can be accurately predicted. Median early loss (three months) was 72% of baseline, while median overall loss (1 yr) was 56% of baseline. Fitting an exponential model to whole parotid yields dose sensitivities A{sub 3m} = 0.0604 Gy{sup −1} and A{sub 1y} = 0.0379 Gy{sup −1}. Recovery was not significantly associated with dose. Hints of lateral organ sub-segment dose–response dimorphism were observed. Conclusions: Sub-segmentation appears to predict neither loss nor recovery with any greater precision than whole parotid mean dose, though it is not any worse. Sparing the parotid to a combined dose φ of <50 Gy is recommended for a patient to keep ≈40% of baseline function and thus avoid severe xerostomia at 12 months post-treatment. It seems unlikely that a population’s mean recovery will exceed 20%–30% of baseline output at 1 yr after radiotherapy treatment using current (whole-organ based) clinical guidelines.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2011

THE INTERSTELLAR MEDIUM AND STAR FORMATION IN EDGE-ON GALAXIES. I. NGC 891

We analyze images of BIMA {sup 12}CO (J = 1 {yields} 0) , Very Large Array H I, and Spitzer 3.6 and 24 {mu}m emission toward the edge-on galaxy NGC 891 and derive the radial and vertical distributions of gas and the radial distributions of stellar mass and recent star formation. We describe our method of deriving radial profiles for edge-on galaxies, assuming circular motion, and verify basic relationships between star formation rate (SFR) and gas and stellar content, and between the molecular-to-atomic ratio and hydrostatic midplane pressure that have been found in other galaxy samples. The Schmidt law index we find for the total gas (H{sub 2} + H I) is 0.85 {+-} 0.55, but the Schmidt law provides a poor description of the SFR in comparison to a model that includes the influence of the stellar disk. Using our measurements of the thickness of the gas disk and the assumption of hydrostatic equilibrium, we estimate volume densities and pressures as a function of radius and height in order to test the importance of pressure in controlling the {rho}{sub H{sub 2}}/{rho}{sub H{sub i}} ratio. The gas pressure in two dimensions P(r, z) using constant velocity dispersion does not seem to correlate with the {rho}{sub H{sub 2}}/{rho}{sub H{sub i}} ratio, but the pressure using varying velocity dispersion appears to correlate with the ratio. We test the importance of gravitational instability in determining the sites of massive star formation and find that the Q parameter using a radially varying gas velocity dispersion is consistent with self-regulation (Q {approx} 1) over a large part of the disk.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

In Vitro Testing of Sunscreens for Dermal Absorption: Method Comparison and Rank Order Correlation with In Vivo Absorption

Not provided.

Pharmacology & Pharmacy↗

DOE OSTI2011

Cytogenetic analysis of an exposed-referent study: perchloroethylene-exposed dry cleaners compared to unexposed laundry workers

Background: Significant numbers of people are exposed to tetrachloroethylene (perchloroethylene, PCE) every year, including workers in the dry cleaning industry. Adverse health effects have been associated with PCE exposure. However, investigations of possible cumulative cytogenetic damage resulting from PCE exposure are lacking. Methods: Eighteen dry cleaning workers and 18 laundry workers (unexposed controls) provided a peripheral blood sample for cytogenetic analysis by whole chromosome painting. Pre-shift exhaled air on these same participants was collected and analyzed for PCE levels. The laundry workers were matched to the dry cleaners on race, age, and smoking status. The relationships between levels of cytological damage and exposures (including PCE levels in the shop and in workers’ blood, packyears, cumulative alcohol consumption, and age) were compared with correlation coefficients and t-tests. Multiple linear regressions considered blood PCE, packyears, alcohol, and age. Results: There were no significant differences between the PCE-exposed dry cleaners and the laundry workers for chromosome translocation frequencies, but PCE levels were significantly correlated with percentage of cells with acentric fragments (R 2 = 0.488, p < 0.026). Conclusions: There does not appear to be a strong effect in these dry cleaning workers of PCE exposure on persistent chromosome damage as measured by translocations. However, the correlation between frequencies of acentric fragments and PCE exposure level suggests that recent exposures to PCE may induce transient genetic damage. More heavily exposed participants and a larger sample size will be needed to determine whether PCE exposure induces significant levels of persistent chromosome damage.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Fiberboard Humidity Data for 9975 Shipping Packages

The 9975 surveillance program is identifying a technical basis to support extending the storage period of 9975 packages in KAC beyond the currently approved 15 years. A key element of this effort is developing a better understanding of degradation of the fiberboard assembly under storage conditions. This degradation is influenced greatly by the moisture content of the fiberboard, which is not well characterized on an individual package basis. Two efforts have been undertaken to better understand the levels and behavior of moisture within the fiberboard assemblies of the 9975 shipping package. In the first effort, an initial survey of humidity and temperature in the upper air space of 26 packages stored in KAC was made. The data collected within this first effort help to illustrate how the upper air space humidity varies with the local ambient temperature and package heat load. In the second effort, direct measurements of two test packages are providing a correlation between humidity and fiberboard moisture levels within the package, and variations in moisture throughout the fiberboard assembly. This effort has examined packages with cane fiberboard and internal heat levels of 5 and 10W to date. Additional testing is expected to include 15 and 19W heat levels, and then repeat the same four heat levels with softwood fiberboard assemblies. This report documents the data collected to date within these two efforts.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Fiberboard Humidity Data for 9975 Shipping Packages

36 MATERIALS SCIENCE↗

DOE OSTI2015

Fiberboard Humidity Data for 9975 Shipping Packages

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Sorption testing and generalized composite surface complexation models for determining uranium sorption parameters at a proposed in-situ recovery site

Solid-phase iron concentrations and generalized composite surface complexation models were used to evaluate procedures in determining uranium sorption on oxidized aquifer material at a proposed U in situ recovery (ISR) site. At the proposed Dewey Burdock ISR site in South Dakota, USA, oxidized aquifer material occurs downgradient of the U ore zones. Solid-phase Fe concentrations did not explain our batch sorption test results,though total extracted Fe appeared to be positively correlated with overall measured U sorption. Batch sorption test results were used to develop generalized composite surface complexation models that incorporated the full genericsorption potential of each sample, without detailed mineralogiccharacterization. The resultant models provide U sorption parameters (site densities and equilibrium constants) for reactive transport modeling. The generalized composite surface complexation sorption models were calibrated to batch sorption data from three oxidized core samples using inverse modeling, and gave larger sorption parameters than just U sorption on the measured solidphase Fe. These larger sorption parameters can significantly influence reactive transport modeling, potentially increasing U attenuation. Because of the limited number of calibration points, inverse modeling required the reduction of estimated parameters by fixing two parameters. The best-fit models used fixed values for equilibrium constants, with the sorption site densities being estimated by the inversion process. While these inverse routines did provide best-fit sorption parameters, local minima and correlated parameters might require further evaluation. Despite our limited number of proxy samples, the procedures presented provide a valuable methodology to consider for sites where metal sorption parameters are required. Furthermore, these sorption parameters can be used in reactive transport modeling to assess downgradient metal attenuation, especially when no other calibration data are available, such as at proposed U ISR sites.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

MECHANICAL PROPERTIES AND MICROSTRUCTURAL CHARACTERIZATION OF A MULTILAYERED MULTIPASS FRICTION STIR WELD IN STEEL

Multilayered multipass friction stir welding (MM-FSW) makes it possible to use FSW to fabricate thick-section structures. In this work, MM-FSW was demonstrated on a high strength low alloy steel; ASTM A572 Grade 50. Three steel plates with thicknesses of 0.18", 0.18", 0.24" respectively were stacked and friction stir welded together to form a 0.6" thick welded structure. The welded plate was sectioned into rectangular bars transverse to the weld direction for tensile testing to evaluate mechanical properties. Digital image correlation (DIC) was employed to map the local strain fields during tensile testing. The initial failure was found to occur simultaneously at the bottom and middle layers away from the weld zone. The top layer failed last in the base metal. The failure locations were consistent among different samples tested. Also, Charpy V-notch impact tests were conducted for weld metal, heat affected zone, and the base metal at each layer as a function of temperature. The weld microstructures were characterized using optical and electron microscopy and micro-hardness mapping.

Lim, Yong Chae↗

DOE OSTI2019

Multiwavelength cluster mass estimates and machine learning

ABSTRACT One emerging application of machine learning methods is the inference of galaxy cluster masses. In this note, machine learning is used to directly combine five simulated multiwavelength measurements in order to find cluster masses. This is in contrast to finding mass estimates for each observable, normally by using a scaling relation, and then combining these scaling law based mass estimates using a likelihood. We also illustrate how the contributions of each observable to the accuracy of the resulting mass measurement can be compared via model-agnostic Importance Permutation values. Thirdly, as machine learning relies upon the accuracy of the training set in capturing observables, their correlations, and the observational selection function, and as the machine learning training set originates from simulations, two tests of whether a simulation’s correlations are consistent with observations are suggested and explored as well.

Cohn, J. D.↗

DOE OSTI2017

Improving the Fuel Economy of Class 8 Military Vehicles using a Smart Cruise Control Algorithm

Connected and Automated Vehicles (CAVS) have the potential for improving fuel economy by changing the way vehicles are driven. Fuel economy can be improved through a wide range of technologies, many of which do not require Level 5 automation. One of the most promising technologies is a smart cruise control for which a speed-matching algorithm can be designed to account for fuel economy. Accounting for fuel economy in the algorithm leads to different driving behavior than simply matching the driver entered set speed. This paper describes the application of such a smart cruise control to a class 8 vehicle both in simulation and in the actual vehicle on a close test track. This paper evaluates the algorithm and describes the correlation procedure used to calibrate the model using test data from the vehicle.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2011

Measuring our peculiar velocity on the CMB with high-multipole off-diagonal correlations

Our peculiar velocity with respect to the CMB rest frame is known to induce a large dipole in the CMB. However, the motion of an observer has also the effect of distorting the anisotropies at all scales, as shown by Challinor and Van Leeuwen (2002), due to aberration and Doppler effects. We propose to measure independently our local motion by using off-diagonal two-point correlation functions for high multipoles. We study the observability of the signal for temperature and polarization anisotropies. We point out that Planck can measure the velocity β with an error of about 30% and the direction with an error of about 20°. This method constitutes a cross-check, which can be useful to verify that our CMB dipole is due mainly to our velocity or to disentangle the velocity from other possible intrinsic sources. Although in this paper we focus on our peculiar velocity, a similar effect would result also from other intrinsic vectorial distortion of the CMB which would induce a dipolar lensing. Measuring the off-diagonal correlation terms is therefore a test for a preferred direction on the CMB sky.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Communication: Testing and using the Lewin-Lieb bounds in density functional theory

Lewin and Lieb have recently proven several new bounds on the exchange-correlation energy that complement the Lieb-Oxford bound. We test these bounds for atoms, for slowly-varying gases, and for Hooke’s atom, finding them usually less strict than the Lieb-Oxford bound. However, we also show that, if a generalized gradient approximation is to guarantee satisfaction of the new bounds for all densities, new restrictions on the exchange-correlation enhancement factor are implied.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

SU-E-J-242: Volume-Dependence of Quantitative Imaging Features From CT and CE-CT Images of NSCLC

Purpose: To determine whether tumor volume plays a significant role in the values obtained for texture features when they are extracted from computed tomography (CT) images of non-small cell lung cancer (NSCLC). We also sought to identify whether features can be reliably measured at all volumes or if a minimum volume threshold should be recommended. Methods: Eleven features were measured on 40 CT and 32 contrast-enhanced CT (CECT) patient images for this study. Features were selected for their prognostic/diagnostic value in previous publications. Direct correlations between these textures and volume were evaluated using the Spearman correlation coefficient. Any texture that the Wilcoxon rank-sum test was used to compare the variation above and below a volume cutoff. Four different volume thresholds (5, 10, 15, and 20 cm{sup 3}) were tested. Results: Four textures were found to be significantly correlated with volume in both the CT and CE-CT images. These were busyness, coarseness, gray-level nonuniformity, and run-length nonuniformity with correlation coefficients of 0.92, −0.96, 0.94, and 0.98 for the CT images and 0.95, −0.97, 0.98, and 0.98 for the CE-CT images. After volume normalization, the correlation coefficients decreased substantially. For the data obtained from the CT images, the results of the Wilcoxon rank-sum test were significant when volume thresholds of 5–15 cm3 were used. No volume threshold was shown to be significant for the CE-CT data. Conclusion: Equations for four features that have been used in several published studies were found to be volume-dependent. Future studies should consider implementing normalization factors or removing these features entirely to prevent this potential source of redundancy or bias. This work was supported in part by National Cancer Institute grant R03CA178495-01. Xenia Fave is a recipient of the American Association of Physicists in Medicine Graduate Fellowship.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Assessing the Effectiveness of Generalized Likelihood Ratio Test Detector Schemes in Seismic Event Detection and the Avoidance of Nontarget Signals

Cross-correlation techniques have played a long-standing and pivotal role in seismic event monitoring. However, the performance of correlation-based detectors is challenged by nuisance seismicity, or nontarget signals. Such detections are a problem when the mission is to automatically map events to the correct source region. Using aftershocks of the 2014 $M_w$ 6.0 South Napa, California, earthquake, we demonstrate the effectiveness of utilizing a dynamic correlation processor framework in a generalized likelihood ratio test (GLRT) detector configuration to minimize nontarget detections. A GLRT maximizes a detection statistic with respect to one or more unknown parameters. In this case, the detection statistic is a template signal match against the waveform in a window sliding over a data stream, and the unknown parameter is an index variable indicating group membership of the template event or events. Detected events are assigned to the event group that yields the largest detection statistic. In this work, our results show that a GLRT detector will outperform a suite of independently operating correlation and subspace detectors in terms of having a lower nontarget detection rate at a given missed detection rate. We also show that a GLRT detector composed of a few high-rank subspace detectors has a slightly higher nontarget detection rate, but a significantly lower missed detection rate, than a GLRT detector composed of many low-rank subspace detectors. The high-rank GLRT configuration produced impressive results even with marginal data (single channel, single station, and very low time bandwidth product), which bodes well for the utility of building efficient aftershock classification systems and global monitoring systems at larger scales. However, future work is required to assess performance at the regional scale and to assess the performance of the system at detecting target events not used in the detector template creation.

58 GEOSCIENCES↗

DOE OSTI2012

Sexual Function and the Use of Medical Devices or Drugs to Optimize Potency After Prostate Brachytherapy

Purpose: Prospective evaluation of sexual outcomes after prostate brachytherapy with iodine-125 seeds as monotherapy at a tertiary cancer care center. Methods and Materials: Subjects were 129 men with prostate cancer with I-125 seed implants (prescribed dose, 145 Gy) without supplemental hormonal or external beam radiation therapy. Sexual function, potency, and bother were prospectively assessed at baseline and at 1, 4, 8, and 12 months using validated quality-of-life self-assessment surveys. Postimplant dosimetry values, including dose to 10% of the penile bulb (D10), D20, D33, D50, D75, D90, and penile volume receiving 100% of the prescribed dose (V100) were calculated. Results: At baseline, 56% of patients recorded having optimal erections; at 1 year, 62% of patients with baseline erectile function maintained optimal potency, 58% of whom with medically prescribed sexual aids or drugs. Variables associated with pretreatment-to-posttreatment decline in potency were time after implant (p = 0.04) and age (p = 0.01). Decline in urinary function may have been related to decline in potency. At 1 year, 69% of potent patients younger than 70 years maintained optimal potency, whereas 31% of patients older than 70 maintained optimal potency (p = 0.02). Diabetes was related to a decline in potency (p = 0.05), but neither smoking nor hypertension were. For patients with optimal potency at baseline, mean sexual bother scores had declined significantly at 1 year (p < 0.01). Sexual potency, sexual function, and sexual bother scores failed to correlate with any dosimetric variable tested. Conclusions: Erections firm enough for intercourse can be achieved at 1 year after treatment, but most men will require medical aids to optimize potency. Although younger men were better able to maintain erections firm enough for intercourse than older men, there was no correlation between potency, sexual function, or sexual bother and penile bulb dosimetry.

62 RADIOLOGY AND NUCLEAR MEDICINE↗