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At least 1,063 records · Page 59

Next-Generation Ion Propulsion Being Developed

The NASA Glenn Research Center ion-propulsion program addresses the need for high specific-impulse systems and technology across a broad range of mission applications and power levels. One activity is the development of the next-generation ion-propulsion system as a follow-on to the successful Deep Space 1 system. The system is envisioned to incorporate a lightweight ion engine that can operate over 1 to 10 kW, with a 550-kg propellant throughput capacity. The engine concept under development has a 40-cm beam diameter, twice the effective area of the Deep Space 1 engine. It incorporates mechanical features and operating conditions to maximize the design heritage established by the Deep Space 1 engine, while incorporating new technology where warranted to extend the power and throughput capability. Prototype versions of the engine have been fabricated and are under test at NASA, with an engineering model version in manufacturing. Preliminary performance data for the prototype engine have been documented over 1.1- to 7.3-kW input power. At 7.3 kW, the engine efficiency is 0.68, at 3615-sec specific impulse. Critical component temperatures, including those of the discharge cathode assembly and magnets, have been documented and are within established limits, with significant margins relative to the Deep Space 1 engine. The 1- to 10-kW ion thruster approach described here was found to provide the needed power and performance improvement to enable important NASA missions. The Integrated In-Space Transportation Planning (IISTP) studies compared many potential technologies for various NASA, Government, and commercial missions. These studies indicated that a high-power ion propulsion system is the most important technology for development because of its outstanding performance versus perceived development and recurring costs for interplanetary solar electric propulsion missions. One of the best applications of a highpower electric propulsion system was as an integral part of a solar electric propulsion (SEP) stage to send a payload to outer planet targets. The IISTP studies showed that either trip time or launch vehicle class could be significantly reduced when compared with state-of-the-art systems.

Patterson, Michael J.↗

Ferromagnetic (Mn, N)-codoped ZnO nanopillars array: Experimental and computational insights

To reveal the mechanism responsible for ferromagnetism in transition metal and hole codoped oxide semiconductors, we carry out a comparative study on Mn-doped and (Mn, N)-codoped ZnO nanopillars. Compared with Mn-doped ZnO samples, (Mn, N)-codoped ZnO nanopillars exhibit an enhanced room temperature ferromagnetism. The modulation of bound magnetic polarons via Mn and N codoping corroborates the correlation between the ferromagnetism and hole carriers, which is also verified by first-principles density functional theory calculations. Our study suggests that the electronic band alteration as a result of codoping engineering plays a critical role in stabilizing the long-range magnetic orderings.

36 MATERIALS SCIENCE↗

Comparing Two Statistical Models for Low Boom Dose-response Relationships with Correlated Responses

This study compares two statistical modeling approaches to construct summary dose-response curves for low boom community noise surveys. NASA field survey data were used that consist of multiple responses from a survey participant. These data require an approach that accounts for the correlation among repeated annoyance observations from the same participant. A multilevel model accounts for the correlation by allowing estimated parameters to vary with each survey participant. On the other hand, a population average model utilizes generalized estimating equations and accounts for the correlation via a user-specified within-subject correlation structure. A visual comparison of the dose-response curves for these two methods reveals similar results. When comparing specific points along the summary curves, the multilevel model yields more precise confidence bounds than the population average model. The similarity between the summary curves derived from each model lends validity to both approaches for approximating a population representative summary curve.

X-59↗

The cardiac dose-sparing benefits of deep inspiration breath-hold in left breast irradiation: a systematic review

Despite technical advancements in breast radiation therapy, cardiac structures are still subject to significant levels of irradiation. As the use of adjuvant radiation therapy after breast-conserving surgery continues to improve survival for early breast cancer patients, the associated radiation-induced cardiac toxicities become increasingly relevant. Our primary aim was to evaluate the cardiac-sparing benefits of the deep inspiration breath-hold (DIBH) technique. An electronic literature search of the PubMed database from 1966 to July 2014 was used to identify articles published in English relating to the dosimetric benefits of DIBH. Studies comparing the mean heart dose of DIBH and free breathing treatment plans for left breast cancer patients were eligible to be included in the review. Studies evaluating the reproducibility and stability of the DIBH technique were also reviewed. Ten studies provided data on the benefits of DIBH during left breast irradiation. From these studies, DIBH reduced the mean heart dose by up to 3.4 Gy when compared to a free breathing approach. Four studies reported that the DIBH technique was stable and reproducible on a daily basis. According to current estimates of the excess cardiac toxicity associated with radiation therapy, a 3.4 Gy reduction in mean heart dose is equivalent to a 13.6% reduction in the projected increase in risk of heart disease. DIBH is a reproducible and stable technique for left breast irradiation showing significant promise in reducing the late cardiac toxicities associated with radiation therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Flow simulations about steady-complex and unsteady moving configurations using structured-overlapped and unstructured grids

The limiting factor in simulating flows past realistic configurations of interest has been the discretization of the physical domain on which the governing equations of fluid flow may be solved. In an attempt to circumvent this problem, many Computational Fluid Dynamic (CFD) methodologies that are based on different grid generation and domain decomposition techniques have been developed. However, due to the costs involved and expertise required, very few comparative studies between these methods have been performed. In the present work, the two CFD methodologies which show the most promise for treating complex three-dimensional configurations as well as unsteady moving boundary problems are evaluated. These are namely the structured-overlapped and the unstructured grid schemes. Both methods use a cell centered, finite volume, upwind approach. The structured-overlapped algorithm uses an approximately factored, alternating direction implicit scheme to perform the time integration, whereas, the unstructured algorithm uses an explicit Runge-Kutta method. To examine the accuracy, efficiency, and limitations of each scheme, they are applied to the same steady complex multicomponent configurations and unsteady moving boundary problems. The steady complex cases consist of computing the subsonic flow about a two-dimensional high-lift multielement airfoil and the transonic flow about a three-dimensional wing/pylon/finned store assembly. The unsteady moving boundary problems are a forced pitching oscillation of an airfoil in a transonic freestream and a two-dimensional, subsonic airfoil/store separation sequence. Accuracy was accessed through the comparison of computed and experimentally measured pressure coefficient data on several of the wing/pylon/finned store assembly's components and at numerous angles-of-attack for the pitching airfoil. From this study, it was found that both the structured-overlapped and the unstructured grid schemes yielded flow solutions of comparable accuracy for these simulations. This study also indicated that, overall, the structured-overlapped scheme was slightly more CPU efficient than the unstructured approach.

Newman, James C., III↗

Origin of structural analogies and differences between the atomic structures of GeSe{sub 4} and GeS{sub 4} glasses: A first principles study

First-principles molecular dynamics simulations based on density functional theory are employed for a comparative study of structural and bonding properties of two stoichiometrically identical chalcogenide glasses, GeSe{sub 4} and GeS{sub 4}. Two periodic cells of 120 and 480 atoms are adopted. Both glasses feature a coexistence of Ge-centered tetrahedra and Se(S) homopolar connections. Results obtained for N = 480 indicate substantial differences at the level of the Se(S) environment, since Ge–Se–Se connections are more frequent than the corresponding Ge–S–S ones. The presence of a more prominent first sharp diffraction peak in the total neutron structure factor of glassy GeS{sub 4} is rationalized in terms of a higher number of large size rings, accounting for extended Ge–Se correlations. Both the electronic density of states and appropriate electronic localization tools provide evidence of a higher ionic character of Ge–S bonds when compared to Ge–Se bonds. An interesting byproduct of these investigations is the occurrence of discernible size effects that affect structural motifs involving next nearest neighbor distances, when 120 or 480 atoms are used.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An approach for integrating toxicogenomic data in risk assessment: The dibutyl phthalate case study

An approach for evaluating and integrating genomic data in chemical risk assessment was developed based on the lessons learned from performing a case study for the chemical dibutyl phthalate. A case study prototype approach was first developed in accordance with EPA guidance and recommendations of the scientific community. Dibutyl phthalate (DBP) was selected for the case study exercise. The scoping phase of the dibutyl phthalate case study was conducted by considering the available DBP genomic data, taken together with the entire data set, for whether they could inform various risk assessment aspects, such as toxicodynamics, toxicokinetics, and dose–response. A description of weighing the available dibutyl phthalate data set for utility in risk assessment provides an example for considering genomic data for future chemical assessments. As a result of conducting the scoping process, two questions—Do the DBP toxicogenomic data inform 1) the mechanisms or modes of action?, and 2) the interspecies differences in toxicodynamics?—were selected to focus the case study exercise. Principles of the general approach include considering the genomics data in conjunction with all other data to determine their ability to inform the various qualitative and/or quantitative aspects of risk assessment, and evaluating the relationship between the available genomic and toxicity outcome data with respect to study comparability and phenotypic anchoring. Based on experience from the DBP case study, recommendations and a general approach for integrating genomic data in chemical assessment were developed to advance the broader effort to utilize 21st century data in risk assessment. - Highlights: • Performed DBP case study for integrating genomic data in risk assessment • Present approach for considering genomic data in chemical risk assessment • Present recommendations for use of genomic data in chemical risk assessment.

60 APPLIED LIFE SCIENCES↗

Identifying Abandoned Well Sites Using Database Records and Aeromagnetic Surveys

Oil and natural gas are primary sources of energy in the United States. Improved drilling and extracting techniques have led to a renewed interest in historic oil and gas fields, but limited records of legacy wells make new drilling efforts more difficult, as abandoned wells may provide conduits for liquids and gases to migrate into groundwater reservoirs or the atmosphere. Well finding using aeromagnetic surveys pinpoints the location of steel-cased wells, detecting both active and abandoned wells, including buried casings lacking aboveground markers. Here, we present six aeromagnetic surveys conducted in Pennsylvania and Wyoming as case studies, comparing the magnetic points to locations known in databases. In all study sites, more magnetic points were detected than recorded in databases. Based on differences between theoretical database well counts and the actual number of wells detected in surveys, we estimated the total number of wells in Pennsylvania to be 395 000–466 000 and 181 000–182 000 in Wyoming. Extrapolating to the national level, in this work, we estimate the average number of wells in the continental United States is 6.04 ± 19.97 million wells with 1.16 ± 3.84 million of those designated as abandoned wells, within the range of previous abandoned well count estimations. Although aeromagnetic surveys are limited to detecting steel-cased wells and do not differentiate sites based on well status, this study nevertheless demonstrates the utility of aeromagnetic surveys in well finding efforts across the country and shows limitations in database records of oil and natural gas wells.

54 ENVIRONMENTAL SCIENCES↗

Efficient wind farm layout optimization with the FLOWERS AEP model and analytic gradients

Wind farm layout optimization (WFLO) studies often aim to maximize the annual energy production (AEP) of a wind farm by choosing an arrangement of turbines that minimizes wake interactions. One way to reduce the cost of WFLO studies is by using more computationally efficient AEP models. The cost of standard AEP modeling approaches, based on the numerical integration of low-fidelity engineering wake models, scales poorly with the number of simulated discrete wind conditions. A second way to reduce cost when using a gradient-based algorithm is to supply exact gradient information instead of finite-difference estimates. However, analytical functions for the derivatives of AEP with respect to turbine positions are not always available in the conventional modeling approach. FLOWERS is a computationally inexpensive, analytical model for wind farm AEP that is specifically developed for WFLO applications. In this paper, we analyze the performance of the FLOWERS AEP model with analytic gradients in a layout optimization study compared with a reference optimization framework across three wind farm case studies. We find that the FLOWERS-based approach reduces computation time by a factor of 50–4000 and improves optimal AEP by about 0.3% with less than half of the variability in AEP across instances with randomized initial conditions. We also find the optimal layouts to be insensitive to model parameter tuning, making FLOWERS-based layout optimization a streamlined, user-friendly approach.

17 WIND ENERGY↗

CALIBRATING UV STAR FORMATION RATES FOR DWARF GALAXIES FROM STARBIRDS

Integrating our knowledge of star formation (SF) traced by observations at different wavelengths is essential for correctly interpreting and comparing SF activity in a variety of systems and environments. This study compares extinction corrected integrated ultraviolet (UV) emission from resolved galaxies with color–magnitude diagram (CMD) based star formation rates (SFRs) derived from resolved stellar populations and CMD fitting techniques in 19 nearby starburst and post-starburst dwarf galaxies. The data sets are from the panchromatic Starburst Irregular Dwarf Survey and include deep legacy GALEX UV imaging, Hubble Space Telescope optical imaging, and Spitzer MIPS imaging. For the majority of the sample, the integrated near-UV fluxes predicted from the CMD-based SFRs—using four different models—agree with the measured, extinction corrected, integrated near-UV fluxes from GALEX images, but the far-UV (FUV) predicted fluxes do not. Furthermore, we find a systematic deviation between the SFRs based on integrated FUV luminosities and existing scaling relations, and the SFRs based on the resolved stellar populations. This offset is not driven by different SF timescales, variations in SFRs, UV attenuation, nor stochastic effects. This first comparison between CMD-based SFRs and an integrated FUV emission SFR indicator suggests that the most likely cause of the discrepancy is the theoretical FUV–SFR calibration from stellar evolutionary libraries and/or stellar atmospheric models. We present an empirical calibration of the FUV-based SFR relation for dwarf galaxies, with uncertainties, which is ∼53% larger than previous relations.

79 ASTRONOMY AND ASTROPHYSICS↗

Improving five-year survival prediction via multitask learning across HPV-related cancers

Oncology is a highly siloed field of research in which sub-disciplinary specialization has limited the amount of information shared between researchers of distinct cancer types. This can be attributed to legitimate differences in the physiology and carcinogenesis of cancers affecting distinct anatomical sites. However, underlying processes that are shared across seemingly disparate cancers probably affect prognosis. The objective of the current study is to investigate whether multitask learning improves 5-year survival cancer patient survival prediction by leveraging information across anatomically distinct HPV related cancers. Furthermore, data were obtained from the Surveillance, Epidemiology, and End Results (SEER) program database. The study cohort consisted of 29,768 primary cancer cases diagnosed in the United States between 2004 and 2015. Ten different cancer diagnoses were selected, all with a known association with HPV risk. In the analysis, the cancer diagnoses were categorized into three distinct topography groups of varying specificity. The most specific topography grouping consisted of 10 original cancer diagnoses differentiated by the first two digits of the ICD-O-3 topography code. The second topography grouping consisted of cancer diagnoses categorized into six distinct organ groups. Finally, the third topography grouping consisted of just two groups, head-neck cancers and ano-genital cancers. The tasks were to predict 5-year survival for patients within the different topography groups using 14 predictive features which were selected among descriptive variables available in the SEER database. The information from the predictive features was shared between tasks in three different ways, resulting in three distinct predictive models: 1) Information was not shared between patients assigned to different tasks (single task learning); 2) Information was shared between all patients, regardless of task (pooled model); 3) Only relevant information was shared between patients grouped to different tasks (multitask learning). Prediction performance was evaluated with Brier scores. All three models were evaluated against one another on each of the three distinct topography-defined tasks. The results showed that multitask classifiers achieved relative improvement for the majority of the scenarios studied compared to single task learning and pooled baseline methods. In this study, we have demonstrated that sharing information among anatomically distinct cancer types can lead to improved predictive survival models.

59 BASIC BIOLOGICAL SCIENCES↗

Sorption, Structure and Dynamics of CO2 and Ethane in Silicalite at High Pressure: A Combined Monte Carlo and Molecular Dynamics Simulation Study

Silicalite is an important nanoporous material that finds applications in several industries, including gas separation and catalysis. While the sorption, structure, and dynamics of several molecules confined in the pores of silicalite have been reported, most of these studies have been restricted to low pressures. Here we report a comparative study of sorption, structure, and dynamics of CO2 and ethane in silicalite at high pressures (up to 100 bar) using a combination of Monte Carlo (MC) and molecular dynamics (MD) simulations. The behavior of the two fluids is studied in terms of the simulated sorption isotherms, the positional and orientational distribution of sorbed molecules in silicalite, and their translational diffusion, vibrational spectra, and rotational motion. Both CO2 and ethane are found to exhibit orientational ordering in silicalite pores; however, at high pressures, while CO2 prefers to reside in the channel intersections, ethane molecules reside mostly in the sinusoidal channels. While CO2 exhibits a higher self-diffusion coefficient than ethane at low pressures, at high pressures, it becomes slower than ethane. Both CO2 and ethane exhibit rotational motion at two time scales. At both time scales, the rotational motion of ethane is faster. The differences observed here in the behavior of CO2 and ethane in silicalite pores can be seen as a consequence of an interplay of the kinetic diameter of the two molecules and the quadrupole moment of CO2.

Gautam, Siddharth (ORCID:0000000314435382)↗

Kinetics of intercalation of lithium into NbSe3 and TiS2 cathodes

Titanium disulfide and niobium triselenide are two well-studied candidate materials for positive electrodes in rechargeable lithium cells. A comparative study of the kinetics of intercalation of lithium in both the cathodes is made here based on various electrochemical techniques, i.e., linear polarization, potentiodynamic polarization, and ac impedance under different experimental conditions such as prismatic or disk configuration of fresh, partially discharged, or cycled electrode. Further, the diffusion coefficients of lithium ions in these cathodes are estimated under these conditions using conventional techniques, i.e., ac impedance, chronocoulometry, chronoamperometry, and current pulse relaxation. Based on the values of the diffusion coefficients, the applicability of these methods for the determination of diffusion coefficients is discussed.

Ratnakumar, B. V.↗

Advanced X ray Astrophysics Facility-Imaging (AXAF-I) thermal analyses using Integrated Thermal Analysis System (ITAS) program

The complex geometry and stringent thermal requirements associated with the Advanced X-ray Astrophysics Facility - Imaging (AXAF-I) necessitate a detailed and accurate thermal analysis of the proposed system. A brief description of said geometry and thermal requirements is included. Among the tools considered for the aforementioned analysis is a PC-compatible version of the Integrated Thermal Analysis System (ITAS). Several bench-mark studies were performed to evaluate the capabilities of ITAS and to compare the corresponding results with those obtained using TRASYS and SINDA. Comparative studies were conducted for a typical Space Station module. Four models were developed using various combinations of the available software packages (i.e. ITAS, SINDA, and TRASYS). Orbital heating and heat transfer calculations were performed to determine the temperature distributions along the surfaces of this module. A comparison of the temperature distributions obtained for each of the four cases is presented. Results of this investigation were used to verify the different ITAS modules including those used for model generation, steady state and transient orbital heating analyses, radiative and convective heat flow analyses, and SINDA/TRASYS model translation. The results suggest that ITAS is well suited to subsequent analyses of the AXAF-I.

Ghaffarian, Benny↗

Energy- and Structure-Related Properties for the (100) Surface of Beta-SiC

Calculations were carried out to investigate energy- and structure-related properties for the (100) surfaces of beta-SiC. Investigations for both C- and Si-terminated planes include (1 x 1), (2 x 1) and c(2 x 2) surface phases. All calculations were performed employing the empirical Tersoff function developed for SiC systems. This function has been used on several occasions, with varying sets of parameters to calculate properties for systems containing Si and C atoms. Here a comparative study was conducted. Results obtained from different sets of parameters were compared with respect to each other and also with values from the literature. Suitabilities and limitations of each parameter set were delineated.

Halicioglu, Timur↗

Comparing Delay-, Distance-, and Cordon-Based Congestion Pricing Strategies Via Large-Scale Simulation

This study compares the impacts of delay-, distance-, and cordon-based congestion pricing strategies for Austin, Texas, using the POLARIS agent-based activity-based travel demand simulation model. This approach enables agent-level heterogeneity and realistic choice options (including destination, mode, and activity scheduling) for dynamic traffic assignment and congestion feedbacks across a major metro region, which are features lacking in past work. To ensure comparability, distance-based tolls were set to generate the same revenue as delay-based tolling of $3.5 M/day, averaging $1.17/resident/day or $0.42/vehicle-trip. Delay-based pricing delivers 44% lower network delay and 13% lower VHT compared to the no-toll baseline, levels unmatched by other pricing strategies. At the height of the AM peak, drivers pay up to $0.13/mile on average, though most links in the network remain untolled. Distance-based pricing is the most effective at reducing VMT (by 4%), but VHT reductions (of 6%) primarily stem from drivers selecting closer destinations, achieving only one-fourth the delay reduction of delay-based pricing. Across various implementations of delay- and distance-based pricing, the results suggest that spatial variations of tolls are far more important than temporal variations. Cordon tolls produce minimal impacts at the network-wide level, but offer substantial delay reductions inside the cordon. Other major findings include: 1) delay-based pricing increases trip-making during the PM peak period due to backward shifts in discretionary-activity start times by higher-income residents; and 2) tolls’ spatial impacts, including changes in network flows and tolls paid by residents, vary substantially between delay- and distance-based pricing strategies.

Agent-based modeling↗

Comparative Analysis of Pendulum and Flywheel Power Take-Off Mechanisms for Wave Energy Conversion

Here, this study compares three power-take-off (PTO) mechanisms for wave energy converters—a flywheel -type pitch resonator and two pendulum variants (normal and inverted)—all designed to fit within a fixed envelope. Performance is assessed via linear frequency-domain models and bi-conjugate impedance matching under a representative sea state. The inverted-pendulum PTO achieves 27.9% of the incident wave energy, versus 16.5% for the normal pendulum and 4.2% for the flywheel—that is, 6.6 × and 3.9 × improvements, respectively. These gains arise because pendulum-based systems generate higher torque for a given buoy motion and maintain impedance matching across a wider frequency band. Parametric studies of mass, pendulum arm length, spring stiffness, generator friction, and motor constant quantify the impact of key design choices on power output. By locating the pendulum pivot near the buoy's center of gravity and positioning the center of rotation below the COG, surge–pitch coupling is improved and energy transfer is further boosted.

Keow, Alicia Li Jen [Sandia National Laboratories ↗

Enhanced High- and Low-Temperature Performance of NOx Reduction Catalyst Materials

In this annual CRADA program report, we will briefly highlight results from our recent studies of the stability of candidate K-based high temperature NSR materials, and comparative studies of low temperature performance of SSZ-13 and SAPO-34 CHA catalysts; in particular, recent results comparing Fe- and Cu-based CHA materials.

Environmental Molecular Sciences Laboratory↗