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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Structural and optical properties of InGaN-GaN nanowire heterostructures grown by molecular beam epitaxy

InGaN/GaN nanowire (NW) heterostructures grown by plasma assisted molecular beam epitaxy were studied in comparison to their GaN and InGaN counterparts. The InGaN/GaN heterostructure NWs are composed of a GaN NW, a thin InGaN shell, and a multifaceted InGaN cap wrapping the top part of the GaN NW. High-resolution transmission electron microscopy (HRTEM) images taken from different parts of a InGaN/GaN NW show a wurtzite structure of the GaN core and the epitaxial InGaN shell around it, while additional crystallographic domains are observed whithin the InGaN cap region. Large changes in the lattice parameter along the wire, from pure GaN to higher In concentration demonstrate the successful growth of a complex InGaN/GaN NW heterostructure. Photoluminescence (PL) spectra of these heterostructure NW ensembles show rather broad and intense emission peak at 2.1 eV. However, {mu}-PL spectra measured on single NWs reveal a reduced broadening of the visible luminescence. The analysis of the longitudinal optical phonon Raman peak position and its shape reveal a variation in the In content between 20% and 30%, in agreement with the values estimated by PL and HRTEM investigations. The reported studies are important for understanding of the growth and properties of NW heterostructures suitable for applications in optoelectronics and photovoltaics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Computational Fluid Dynamics Modeling of Bacillus anthracis Spore Deposition in Rabbit and Human Respiratory Airways

Three-dimensional computational fluid dynamics and Lagrangian particle deposition models were developed to compare the deposition of aerosolized Bacillus anthracis spores in the respiratory airways of a human with that of the rabbit, a species commonly used in the study of anthrax disease. The respiratory airway geometries for each species were derived from computed tomography (CT) or µCT images. Both models encompassed airways that extended from the external nose to the lung with a total of 272 outlets in the human model and 2878 outlets in the rabbit model. All simulations of spore deposition were conducted under transient, inhalation-exhalation breathing conditions using average species-specific minute volumes. The highest exposure concentration was modeled in the rabbit based upon prior acute inhalation studies. For comparison, human simulation was also conducted at the same concentration. Results demonstrated that regional spore deposition patterns were sensitive to airway geometry and ventilation profiles. Due to the complex airway geometries in the rabbit nose, higher spore deposition efficiency was predicted in the upper conducting airways compared to the human at the same air concentration of anthrax spores. As a result, higher particle deposition was predicted in the conducting airways and deep lung of the human compared to the rabbit lung due to differences in airway branching pattern. This information can be used to refine published and ongoing biokinetic models of inhalation anthrax spore exposures, which currently estimate deposited spore concentrations based solely upon exposure concentrations and inhaled doses that do not factor in species-specific anatomy and physiology.

bacillus anthracis↗
DOE OSTI2011

The Crystal Structure of Bacteriophage HK97 gp6: Defining a Large Family of Head-Tail Connector Proteins

The final step in the morphogenesis of long-tailed double-stranded DNA bacteriophages is the joining of the DNA-filled head to the tail. The connector is a specialized structure of the head that serves as the interface for tail attachment and the point of egress for DNA from the head during infection. Here, we report the determination of a 2.1 Å crystal structure of gp6 of bacteriophage HK97. Through structural comparisons, functional studies, and bioinformatic analysis, gp6 has been determined to be a component of the connector of phage HK97 that is evolutionarily related to gp15, a well-characterized connector component of bacteriophage SPP1. Whereas the structure of gp15 was solved in a monomeric form, gp6 crystallized as an oligomeric ring with the dimensions expected for a connector protein. Although this ring is composed of 13 subunits, which does not match the symmetry of the connector within the phage, sequence conservation and modeling of this structure into the cryo-electron microscopy density of the SPP1 connector indicate that this oligomeric structure represents the arrangement of gp6 subunits within the mature phage particle. Through sequence searches and genomic position analysis, we determined that gp6 is a member of a large family of connector proteins that are present in long-tailed phages. We have also identified gp7 of HK97 as a homologue of gp16 of phage SPP1, which is the second component of the connector of this phage. These proteins are members of another large protein family involved in connector assembly.

Cardarelli, Lia↗
DOE OSTI2012

Final Technical Report Power through Policy: "Best Practices" for Cost-Effective Distributed Wind

Power through Policy: 'Best Practices' for Cost-Effective Distributed Wind is a U.S. Department of Energy (DOE)-funded project to identify distributed wind technology policy best practices and to help policymakers, utilities, advocates, and consumers examine their effectiveness using a pro forma model. Incorporating a customized feed from the Database of State Incentives for Renewables and Efficiency (DSIRE), the Web-based Distributed Wind Policy Comparison Tool (Policy Tool) is designed to assist state, local, and utility officials in understanding the financial impacts of different policy options to help reduce the cost of distributed wind technologies. The project's final products include the Distributed Wind Policy Comparison Tool, found at www.windpolicytool.org, and its accompanying documentation: Distributed Wind Policy Comparison Tool Guidebook: User Instructions, Assumptions, and Case Studies.

16 TIDAL AND WAVE POWER↗
DOE OSTI2014

Deep Energy Retrofit Performance Metric Comparison: Eight California Case Studies

In this paper we will present the results of monitored annual energy use data from eight residential Deep Energy Retrofit (DER) case studies using a variety of performance metrics. For each home, the details of the retrofits were analyzed, diagnostic tests to characterize the home were performed and the homes were monitored for total and individual end-use energy consumption for approximately one year. Annual performance in site and source energy, as well as carbon dioxide equivalent (CO 2 e) emissions were determined on a per house, per person and per square foot basis to examine the sensitivity to these different metrics. All eight DERs showed consistent success in achieving substantial site energy and CO 2 e reductions, but some projects achieved very little, if any source energy reduction. This problem emerged in those homes that switched from natural gas to electricity for heating and hot water, resulting in energy consumption dominated by electricity use. This demonstrates the crucial importance of selecting an appropriate metric to be used in guiding retrofit decisions. Also, due to the dynamic nature of DERs, with changes in occupancy, size, layout, and comfort, several performance metrics might be necessary to understand a project’s success.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Sensitivity Analysis Comparisons on Geologic Case Studies: An International Collaboration, Volume 2

Over the past six years, an informal working group has developed to investigate existing sensitivity analysis methods, examine new methods, and identify best practices. The focus is on the use of sensitivity analysis in case studies involving geologic disposal of spent nuclear fuel or nuclear waste. Three additional case studies are presented in this Volume 2 report, including more nonlinear behavior, outputs which exhibit bifurcation, regime changes, and nested sampling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Final Report

This report summarizes our research activities. In the award period, we have made significant progress on the first aim, with new discoveries reported in one published paper (1) and in one submitted manuscript (2) currently under review. The published manuscript reports on our discovery of plant ribokinase and the metabolic pathway in which it functions; the submitted manuscript is identification and characterization of the plant fructokinase family of enzymes from expression studies, sequence comparisons, subcellular localizations and enzymatic activities of recombinant proteins. Our study of loss-of-function mutants in the fructokinase family members (2) revealed that there were no phenotypic differences observed for the five genes analyzed, so we have adopted the Crispr/Cas9 system to isolate mutants in the two genes for which there are no currently available insertion mutants, and we are generating higher order mutants (double, triples, etc) to discern the relative roles and significance for each fructokinase. These mutants will be an important resource to understand regulation of carbohydrate movement and catabolism in plants. As studies from others indicate, alteration of fructokinases results in changes in cell walls and vasculatures, which have importance relative to biofuel yield and quality. In the second aim, we have characterized the protein-protein interactions for the pkfB proteins FLN1 and FLN2 that are localized to chloroplast transcriptional complexes and have proposed a new model for how chloroplast transcription is regulated. This work has been submitted for publication, been revised and will be re-submitted in December 2016

09 BIOMASS FUELS↗
DOE OSTI2016

Comparison of Measured and Numerically Simulated Turbulence Statistics in a Convective Boundary Layer Over Complex Terrain

High resolution numerical simulation can provide insight into important physical processes that occur within the planetary boundary layer (PBL). The present work employs large eddy simulation (LES) nested within the Weather Forecasting and Research (WRF) framework to simulate real conditions in the convective PBL over an area of complex terrain. A multiple nesting approach has been used to downsize the grid spacing size from 12.15 km (mesoscale) to 0.03 km (LES). To minimize artifacts in theWRF-LES solutions resulting from using an inappropriate grid spacing on the WRF-Meso domain, a careful selection of grid spacing has been conducted. The WRF-LES results have been evaluated with in situ and remote sensing observations collected during the US Department of Energy supported Columbia BasinWind Energy Study (CBWES). The comparison for the first and second order moments, turbulence spectrum, and probability density function (pdf) of wind speed show good agreement between the simulation and data. Furthermore, the WRF-LES variables show a great deal of variability in space and time caused by the complex topography in the LES domain. The WRF-LES results show that the flow structures, such as roll vortices and convective cells, over the domain vary depending on both the spatial location and time of the day. In addition to basic studies related to boundary-layer meteorology, results from these simulations can be used in other applications, such as studying the wind energy resources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

SU-E-J-185: A Systematic Review of Breathing Guidance in Radiation Oncology and Radiology

Purpose: The advent of image-guided radiation therapy (IGRT) has led to dramatic improvements in the accuracy of treatment delivery in radiotherapy. Such advancements have highlighted the deleterious impact tumor motion can have on both image quality and radiation treatment delivery. One approach to reducing tumor motion is the use of breathing guidance systems during imaging and treatment. A review of such research had not yet been performed, it was therefore our aim to perform a systematic review of breathing guidance interventions within the fields of radiation oncology and radiology. Methods: Results of online database searches were filtered in accordance to a set of eligibility criteria. The search, filtration, and analysis of articles were conducted in accordance with the PRISMAStatement reporting standard (Preferred Reporting Items for Systematic reviews and Meta-Analyses) utilizing the PICOS approach (Participants, Intervention, Comparison, Outcome, Study design). Participants: Cancer patients, healthy volunteers. Intervention: Biofeedback breathing guidance systems. Comparison: No breathing guidance of the same breathing type. Outcome: Regularity of breathing signal and anatomic/tumor motion, medical image quality, radiation treatment margins and coverage, medical imaging and radiation treatment times. Study design: Quantitative and controlled prospective or retrospective trials. Results: The systematic search yielded a total of 479 articles, which were filtered down to 27 relevant articles in accordance to the eligibility criteria. The vast majority of investigated outcomes were significantly positively impacted by the use of breathing guidance; however, this was dependent upon the nature of the breathing guidance system and study design. In 25/27 studies significant improvements from the use of breathing guidance were observed. Conclusion: The results found here indicate that further clinical studies are warranted which quantify more comprehensively the clinical impact of The results found here indicate that further clinical studies are warranted which quantify more comprehensively the clinical impact of breathing guidance interventions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Renewable-Storage Hybrids in a Decarbonized Electricity Supply

We explore the potential impacts of growing industry interest in hybrid systems comprising PV and battery technologies on the results and findings of the Solar Futures Study (2021). Through comparison of Solar Futures Study scenarios with and without PV-battery hybrid configurations enabled (in the same grid planning model), we find that the highest net-value hybrid configuration depends strongly on power sector carbon policy, which increases the value of more forward-looking designs. While the availability of PV-battery hybrid configurations primarily displaces standalone PV and battery capacity, we find that it (a) increases solar's share of total capacity and generation and (b) reduces required transmission expansion and associated costs under scenarios that combine aggressive cost reductions and power sector decarbonization policy. Results will also be presented for the complementarity and economic value of wind-PV hybrids with varying amounts of energy storage.

complementarity↗
DOE OSTI2025

Comparison of integral equations used to study ${T}_{cc}^{+}$ for a stable D *

We perform a detailed comparison between three formalisms used in recent studies of DD* scattering at heavier-than-physical pion masses, which aim to understand the properties of the doubly-charmed tetraquark, ${T}_{cc}^{+}$ (3875). These methods are the three-particle relativistic field theory (RFT) formalism, the two-body Lippmann-Schwinger (LS) equation with chiral effective field theory potentials, and the two-particle relativistic framework proposed by Baião Raposo and Hansen (BRH approach). In a simplified single-channel setting, we derive the conditions under which the infinite-volume integral equations from the RFT and BRH approaches reduce to the LS form. We present numerical examples showing that differences between these methods can be largely removed by adjusting short-range couplings. We also address a number of technical issues in the RFT approach.

Hadronic Spectroscopy↗
DOE OSTI2020

Ligand effects on electronic structure and bonding in U(iii) coordination complexes: a combined MCD, EPR and computational study

The trivalent oxidation state of uranium has been shown to undergo unique reactivity, from its ability to activate a variety of small molecules to its role in the catalytic reduction of ethene to ethane amongst others. Central to this unique reactivity and ability to rationally design ligands for isotope separation is the underlying uranium electronic structure. While electronic structure studies of U(IV), U(V), and U(VI) have been extensive, by comparison, analogous studies of more reduced oxidation states such as U(III) remains underdeveloped. Herein we report a combined MCD and EPR spectroscopic approach along with density functional theory and multireference wavefunction calculations to elucidate the effects of ligand perturbation in three uranium(III) Tp* complexes. Overall, the experimental and computational insight suggests that the change in ligand environment across this series of U(III) complexes resulted in only minor perturbations in the uranium electronic structure. This combined approach was also used to redefine the electronic ground state of a U(III) complex with a redox non-innocent Bipy - ligand. Overall, these studies demonstrate the efficacy of the combined experimental and theoretical approach towards evaluating electronic structure and bonding in U(III) complexes and provide important insight into the challenges in altering ligand environments to modify bonding and reactivity in uranium coordination chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

CLAS N* Excitation Results from Pion and Kaon Electroproduction

The study of the structure of excited nucleon $N^*$ states employing the electroproduction of exclusive reactions is an important avenue for exploring the nature of the non-perturbative strong interaction. The electrocouplings of $N^*$ states in the mass range below $W$=1.8~GeV have been determined from analyses of CLAS $\pi N$, $\eta N$, and $\pi \pi N$ data at four-momentum transfers $Q^2$ up to 5~GeV$^2$. The work has made it clear that consistent results from independent analyses of several exclusive channels with different couplings and non-resonant backgrounds but the same $N^*$ electroexcitation amplitudes, is essential to have confidence in the extracted results. In terms of hadronic couplings, many high-lying $N^*$ states preferentially decay through the $\pi \pi N$ channel, while couplings to $\pi N$ final states become rather small. The resonance parameters determined from $\pi N$ and $\pi \pi N$ electroproduction can be checked in independent studies of the $KY$ ($Y = \Lambda, \Sigma^0$) channels. Therefore, data from the $KY$ channels already measured with CLAS will play an important role in $N^*$ structure studies. These comparisons await the development of suitable reaction models. Starting in 2018, a program to study the structure of $N^*$ states in various exclusive electroproduction channels using the new CLAS12 spectrometer will get underway. These studies will probe the structure of $N^*$ states in the mass range up to $W$=3~GeV and $Q^2$ up to 12~GeV$^2$, thus providing a means to access $N^*$ structure information spanning a broad regime encompassing both low- and high-energy degrees of freedom.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

CLAS N* Excitation Results from Pion and Kaon Electroproduction

The study of the structure of excited nucleon $N^*$ states employing the electroproduction of exclusive reactions is an important avenue for exploring the nature of the non-perturbative strong interaction. The electrocouplings of $N^*$ states in the mass range below $W$=1.8~GeV have been determined from analyses of CLAS $\pi N$, $\eta N$, and $\pi \pi N$ data at four-momentum transfers $Q^2$ up to 5~GeV$^2$. The work has made it clear that consistent results from independent analyses of several exclusive channels with different couplings and non-resonant backgrounds but the same $N^*$ electroexcitation amplitudes, is essential to have confidence in the extracted results. In terms of hadronic couplings, many high-lying $N^*$ states preferentially decay through the $\pi \pi N$ channel, while couplings to $\pi N$ final states become rather small. The resonance parameters determined from $\pi N$ and $\pi \pi N$ electroproduction can be checked in independent studies of the $KY$ ($Y = \Lambda, \Sigma^0$) channels. Therefore, data from the $KY$ channels already measured with CLAS will play an important role in $N^*$ structure studies. These comparisons await the development of suitable reaction models. Starting in 2018, a program to study the structure of $N^*$ states in various exclusive electroproduction channels using the new CLAS12 spectrometer will get underway. These studies will probe the structure of $N^*$ states in the mass range up to $W$=3~GeV and $Q^2$ up to 12~GeV$^2$, thus providing a means to access $N^*$ structure information spanning a broad regime encompassing both low- and high-energy degrees of freedom.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Comparison of the Z$/\gamma^{*}$ + jets to $\gamma$ + jets cross sections in pp collisions at $\sqrt{s}$ = 8 TeV

In this study, a comparison of the differential cross sections for the processes Z/γ * + jets and photon (γ)+jets is presented. The measurements are based on data collected with the CMS detector at √s = 8 TeV corresponding to an integrated luminosity of 19.7 fb –1 . The differential cross sections and their ratios are presented as functions of p T . The measurements are also shown as functions of the jet multiplicity. Differential cross sections are obtained as functions of the ratio of the Z/γ* p T to the sum of all jet transverse momenta and of the ratio of the Z/γ* p T to the leading jet transverse momentum. The data are corrected for detector effects and are compared to simulations based on several QCD calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Accuracy of the electron transport in mcnp5 and its suitability for ionization chamber response simulations: A comparison with the egsnrc and penelope codes

Purpose: In this work, accuracy of the mcnp5 code in the electron transport calculations and its suitability for ionization chamber (IC) response simulations in photon beams are studied in comparison to egsnrc and penelope codes. Methods: The electron transport is studied by comparing the depth dose distributions in a water phantom subdivided into thin layers using incident energies (0.05, 0.1, 1, and 10 MeV) for the broad parallel electron beams. The IC response simulations are studied in water phantom in three dosimetric gas materials (air, argon, and methane based tissue equivalent gas) for photon beams ({sup 60}Co source, 6 MV linear medical accelerator, and mono-energetic 2 MeV photon source). Two optional electron transport models of mcnp5 are evaluated: the ITS-based electron energy indexing (mcnp5{sub ITS}) and the new detailed electron energy-loss straggling logic (mcnp5{sub new}). The electron substep length (ESTEP parameter) dependency in mcnp5 is investigated as well. Results: For the electron beam studies, large discrepancies (>3%) are observed between the mcnp5 dose distributions and the reference codes at 1 MeV and lower energies. The discrepancy is especially notable for 0.1 and 0.05 MeV electron beams. The boundary crossing artifacts, which are well known for the mcnp5{sub ITS}, are observed for the mcnp5{sub new} only at 0.1 and 0.05 MeV beam energies. If the excessive boundary crossing is eliminated by using single scoring cells, the mcnp5{sub ITS} provides dose distributions that agree better with the reference codes than mcnp5{sub new}. The mcnp5 dose estimates for the gas cavity agree within 1% with the reference codes, if the mcnp5{sub ITS} is applied or electron substep length is set adequately for the gas in the cavity using the mcnp5{sub new}. The mcnp5{sub new} results are found highly dependent on the chosen electron substep length and might lead up to 15% underestimation of the absorbed dose. Conclusions: Since the mcnp5 electron transport calculations are not accurate at all energies and in every medium by general clinical standards, caution is needed, if mcnp5 is used with the current electron transport models for dosimetric applications.

62 RADIOLOGY AND NUCLEAR MEDICINE↗