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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Atomically Precise Crystalline Materials Based on Kinetically Inert Metal Ions via Reticular Mechanopolymerization

Abstract Atomistic control of the coordination environment of lattice ions and the distribution of metal sites within crystalline mixed‐metal coordination polymers remain significant synthetic challenges. Herein is reported the mechanochemical synthesis of a reticular family of crystalline heterobimetallic metal–organic frameworks (MOFs) is now achieved by polymerization of molecular Ru 2 [II,III] complexes, featuring unprotected carboxylic acid substituents, with Cu(OAc) 2 . The resulting crystalline heterobimetallic MOFs are solid solutions of Ru 2 and Cu 2 sites housed within [M 3 L 2 ] phases. The developed mechanochemical strategy is modular and allows for systematic control of the primary coordination sphere of the Ru 2 sites within an isoreticular family of materials. This strategy is anticipated to provide a rational approach to atomically precise mixed‐metal materials.

Gao, Wen‐Yang↗
DOE OSTI2016

Synthesis of Highly Dispersed and Highly Stable Supported Au–Pt Bimetallic Catalysts by a Two-Step Method

Highly dispersed and highly stable supported bimetallic catalysts were prepared using a two-step process. Pt nanoparticles (NPs) were first deposited on porous γ-Al2O3 particles by atomic layer deposition (ALD). Au NPs were synthesized by using gold(III) chloride as the Au precursor, and then immobilized on ALD Pt/γ-Al2O3 particles. The Au–Pt bimetallic catalysts were highly active and highly stable in a vigorously stirred liquid phase reaction of glucose oxidation.

Wang, Xiaofeng↗
DOE OSTI2023

Analysis of ultrafast magnetization switching dynamics in exchange-coupled ferromagnet–ferrimagnet heterostructures

Magnetization switching in ferromagnets has so far been limited to the current-induced spin–orbit–torque effects. Recent observation of helicity-independent all-optical magnetization switching (HI-AOS) in an exchange-coupled ferromagnet–ferrimagnet (FM-FEM) heterostructures expanded the range and applicability of such ultrafast heat-driven magnetization switching. Here we report the element-resolved HI-AOS dynamics of such an exchange-coupled system, using a modified microscopic three-temperature model. We have studied the effect of (i) the Curie temperature of the FM, (ii) FEM composition, (iii) the long-range Ruderman–Kittel–Kasuya–Yosida (RKKY) exchange-coupling strength, and (iv) the absorbed optical energy on the element-specific time-resolved magnetization dynamics. The phase-space of magnetization illustrates how the RKKY coupling strength and the absorbed optical energy influence the switching time. Our analysis demonstrates that the threshold switching energy depends on the composition of the FEM and the switching time depends on the Curie temperature of the FM as well as RKKY coupling strength. Importantly, this simulation anticipates new insights into developing faster and more energy-efficient spintronics devices.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Vanadium Geochemistry of Oil Sands Fluid Petroleum Coke

Vanadium has previously been linked to elevated toxicity of leachates derived from oil sands petroleum coke. However, geochemical controls on V mobility within coke deposits remain poorly constrained. Detailed examinations of porewater and solid-phase V geochemistry were therefore performed on oil sands fluid petroleum coke deposits in Alberta, Canada. Sample collection focused on both active and reclaimed deposits, which contained more than 3 × 10 7 m 3 of fluid petroleum coke. Dissolved V concentrations were highest (up to 3.0 mg L –1 ) immediately below the water table but decreased rapidly with increasing depth. This trend corresponded to a transition from mildly acidic (pH 6–7) and oxic conditions to mildly alkaline (pH 7–8.5) and anoxic conditions. Scanning electron microscopy (SEM), electron microprobe analysis (EMPA), and micro-X-ray fluorescence (μXRF) mapping revealed coke particles exhibited an internal structure characterized by successive concentric layers. Here, the outer margins of these layers were characterized by elevated V, Fe, Si, and Al concentrations, indicating the presence of inorganic phases. Micro-X-ray absorption near-edge structure (μXANES) spectroscopy revealed that V speciation was dominated by V(IV) porphyrins except at outer margins of layers, where octahedrally coordinated V(III) was a major component. Minor to trace V(V) was also detected within fluid petroleum coke particles.

58 GEOSCIENCES↗
DOE OSTI2018

Observation of Dicke cooperativity in magnetic interactions

The interaction of N two-level atoms with a single-mode light field is an extensively studied many-body problem in quantum optics, first analyzed by Dicke in the context of superradiance. A characteristic of such systems is the cooperative enhancement of the coupling strength by a factor of N. In this study, we extended this cooperatively enhanced coupling to a solid-state system, demonstrating that it also occurs in a magnetic solid in the form of matter-matter interaction. Specifically, the exchange interaction of N paramagnetic erbium(III) (Er 3+ ) spins with an iron(III) (Fe 3+ ) magnon field in erbium orthoferrite (ErFeO 3 ) exhibits a vacuum Rabi splitting whose magnitude is proportional to N. Our results provide a route for understanding, controlling, and predicting novel phases of condensed matter using concepts and tools available in quantum optics.

Li, Xinwei (ORCID:0000000305552624)↗
DOE OSTI2013

Diverse Secreted Effectors Are Required for Salmonella Persistence in a Mouse Infection Model

Salmonella enterica serovar Typhimurium causes typhoid-like disease in mice and is a model of typhoid fever in humans. One of the hallmarks of typhoid is persistence, the ability of the bacteria to survive in the host weeks after infection. Virulence factors called effectors facilitate this process by direct transfer to the cytoplasm of infected cells thereby subverting cellular processes. Secretion of effectors to the cell cytoplasm takes place through multiple routes, including two separate type III secretion (T3SS) apparati as well as outer membrane vesicles. The two T3SS are encoded on separate pathogenicity islands, SPI-1 and -2, with SPI-1 more strongly associated with the intestinal phase of infection, and SPI-2 with the systemic phase. Both T3SS are required for persistence, but the effectors required have not been systematically evaluated. In this study, mutations in 48 described effectors were tested for persistence. We replaced each effector with a specific DNA barcode sequence by allelic exchange and co-infected with a wild-type reference to calculate the ratio of wild-type parent to mutant at different times after infection. The competitive index (CI) was determined by quantitative PCR in which primers that correspond to the barcode were used for amplification. Mutations in all but seven effectors reduced persistence demonstrating that most effectors were required. One exception was CigR, a recently discovered effector that is widely conserved throughout enteric bacteria. Deletion of cigR increased lethality, suggesting that it may be an anti-virulence factor. The fact that almost all Salmonella effectors are required for persistence argues against redundant functions. This is different from effector repertoires in other intracellular pathogens such as Legionella.

Environmental Molecular Sciences Laboratory↗
NASA NTRS1982

Periodic spectrum variations in helium-rich stars

Spectroscopic observations of four helium-rich stars are presented. In HD 37776, antiphase variations of Si III and He I have been found, which represent another point of similarity to the Ap phenomenon. The remarkable H-alpha emission variations in Sigma Ori E are illustrated with uniform phase coverage, and strict periodicity over a five-year interval is shown. A radial-velocity study of HD 64740 shows constancy to within the accuracy of the observations. Finally, Delta Ori B is confirmed as a helium-rich star.

Walborn, N. R.↗
DOE OSTI2014

CONSTRAINTS ON THE EMISSION GEOMETRIES AND SPIN EVOLUTION OF GAMMA-RAY MILLISECOND PULSARS

Millisecond pulsars (MSPs) are a growing class of gamma-ray emitters. Pulsed gamma-ray signals have been detected from more than 40 MSPs with the Fermi Large Area Telescope (LAT). The wider radio beams and more compact magnetospheres of MSPs enable studies of emission geometries over a broader range of phase space than non-recycled radio-loud gamma-ray pulsars. We have modeled the gamma-ray light curves of 40 LAT-detected MSPs using geometric emission models assuming a vacuum retarded-dipole magnetic field. We modeled the radio profiles using a single-altitude hollow-cone beam, with a core component when indicated by polarimetry; however, for MSPs with gamma-ray and radio light curve peaks occurring at nearly the same rotational phase, we assume that the radio emission is co-located with the gamma rays and caustic in nature. The best-fit parameters and confidence intervals are determined using a maximum likelihood technique. We divide the light curves into three model classes, with gamma-ray peaks trailing (Class I), aligned (Class II), or leading (Class III) the radio peaks. Outer gap and slot gap (two-pole caustic) models best fit roughly equal numbers of Class I and II, while Class III are exclusively fit with pair-starved polar cap models. Distinguishing between the model classes based on typical derived parameters is difficult. We explore the evolution of the magnetic inclination angle with period and spin-down power, finding possible correlations. While the presence of significant off-peak emission can often be used as a discriminator between outer gap and slot gap models, a hybrid model may be needed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

DETERMINING THE LARGE-SCALE ENVIRONMENTAL DEPENDENCE OF GAS-PHASE METALLICITY IN DWARF GALAXIES

We study how the cosmic environment affects galaxy evolution in the universe by comparing the metallicities of dwarf galaxies in voids with dwarf galaxies in more dense regions. Ratios of the fluxes of emission lines, particularly those of the forbidden [O iii] and [S ii] transitions, provide estimates of a region’s electron temperature and number density. From these two quantities and the emission line fluxes [O ii] λ 3727, [O iii] λ 4363, and [O iii] λλ 4959, 5007, we estimate the abundance of oxygen with the direct T{sub e} method. We estimate the metallicity of 42 blue, star-forming void dwarf galaxies and 89 blue, star-forming dwarf galaxies in more dense regions using spectroscopic observations from the Sloan Digital Sky Survey Data Release 7, as reprocessed in the MPA-JHU value-added catalog. We find very little difference between the two sets of galaxies, indicating little influence from the large-scale environment on their chemical evolution. Of particular interest are a number of extremely metal-poor dwarf galaxies that are less prevalent in voids than in the denser regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

COMMERCIALIZATION OF AN ATMOSPHERIC IRON-BASED CDCL PROCESS FOR POWER PRODUCTION. PHASE I: TECHNOECONOMIC ANALYSIS

Coal Direct Chemical Looping (CDCL) is an advanced oxy-combustion technology that has potential to enable substantial reductions in the cost and energy penalty associated with carbon dioxide (CO2) capture from coal-fired power plants. Through collaborative efforts, the Babcock & Wilcox Power Generation Group (B&W) and The Ohio State University (OSU) developed a conceptual design for a 550 MWe (net) supercritical CDCL power plant with greater than 90% CO2 capture and compression. Process simulations were completed to enable an initial assessment of its technical performance. A cost estimate was developed following DOE’s guidelines as outlined in NETL’s report “Quality Guidelines for Energy System Studies: Cost Estimation Methodology for NETL Assessments of Power Plant Performance”, (2011/1455). The cost of electricity for the CDCL plant without CO2 Transportation and Storage cost resulted in $ $102.67 per MWh, which corresponds to a 26.8 % increase in cost of electricity (COE) when compared to an air-fired pulverized-coal supercritical power plant. The cost of electricity is strongly depending on the total plant cost and cost of the oxygen carrier particles. The CDCL process could capture further potential savings by increasing the performance of the particles and reducing the plant size. During the techno-economic analysis, the team identified technology and engineering gaps that need to be closed to bring the technology to commercialization. The technology gaps were focused in five critical areas: (i) moving bed reducer reactor, (ii) fluidized bed combustor, (iii) particle riser, (iv) oxygen-carrier particle properties, and (v) process operation. The key technology gaps are related to particle performance, particle manufacturing cost, and the operation of the reducer reactor. These technology gaps are to be addressed during Phase II of project. The project team is proposing additional lab testing to be completed on the particle and a 3MWth pilot facility be built to evaluate the reducer reactor performance among other aspects of the technology. A Phase II proposal was prepared and submitted to DOE. The project team proposed a three year program in Phase II. Year 1 includes lab testing and particle development work aimed at improving the chemical and mechanical properties of the oxygen carrier particle. In parallel, B&W will design the 3MWt pilot plant. Any improvements to the particle performance discovered in year 1 that would impact the design of the pilot will be incorporated into the final design. Year 2 will focus on procurement of materials and equipment, and construction of the pilot plant. Year 3 will include, commissioning, start-up, and testing in the pilot. Phase I work was successfully completed and a design and operating philosophy for a 550 MWe commercial scale coal-direct chemical looping power plant was developed. Based on the results of the techno-economic evaluation, B&W projects that the CDCL process can achieve 96.5% CO2 capture with a

Coal Combustion↗
DOE OSTI2017

Arsenic antisite and oxygen incorporation trends in GaAs grown by water-mediated close-spaced vapor transport

Close-spaced vapor transport (CSVT) provides a plausible path to lower the costs of GaAs deposition as it uses only solid precursors and provides precursor utilization in principle approaching 100%. However, the use of H 2 O as a transport agent causes O to be incorporated in CSVT films, and O has been associated with a number of electrically active defect centers in GaAs, which decrease minority carrier lifetimes. In this paper, using deep-level transient spectroscopy, we study the effect of H 2 O concentration and substrate temperature on electron trap concentrations in n-type GaAs. We find that the most-prominent O-related center (ELO) typically has a much higher concentration than the center usually associated with As antisites (EL2), but that overall defect concentrations can be as low as those in films deposited by common vapor phase techniques. The trends with increasing H 2 O concentration suggest that ELO is most likely a defect complex with two As antisites. We also consider the optimal conditions for achieving high growth rates and low defect concentrations using CSVT. Finally, the results of this study have implications for the future CSVT growth using halide transport agents, where the ELO defect would be eliminated but EL2 might have a higher concentration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Magellan/M2FS spectroscopy of Tucana 2 and Grus 1

We present results from spectroscopic observations with the Michigan/Magellan Fiber System (M2FS) of 147 stellar targets along the line of sight to the newly discovered “ultrafaint” stellar systems Tucana 2 (Tuc 2) and Grus 1 (Gru 1). Based on simultaneous estimates of line of sight velocity and stellar-atmospheric parameters, we identify 8 and 7 stars as probable members of Tuc 2 and and Gru 1, respectively. Our sample for Tuc 2 is sufficient to resolve an internal velocity dispersion of 8.6{sub −2.7}{sup +4.4} km s{sup −1} about a mean of −129.1{sub −3.5}{sup +3.5} km s{sup −1} (solar rest frame), and to estimate a mean metallicity of [Fe/H] = −2.23{sub −0.12}{sup +0.18}. These results place Tuc 2 on chemodynamical scaling relations followed by dwarf galaxies, suggesting a dominant dark matter component with dynamical mass 2.7{sub −1.3}{sup +3.1}×10{sup 6} M{sub ⊙} enclosed within the central ∼160 pc, and dynamical mass-to-light ratio 1913{sub −950}{sup +2234} M{sub ⊙}/L{sub V,⊙}. For Gru 1 we estimate a mean velocity of −140.5{sub −1.6}{sup +2.4} km s{sup −1} and a mean metallicity of [Fe/H] = −1.42{sub −0.42}{sup +0.55} but our sample does not resolve Gru 1's velocity dispersion. The radial coordinates of Tuc 2 and Gru 1 in Galactic phase space suggest that their orbits are among the most energetic within a distance of ≲300 kpc. Moreover, their proximity to each other in this space arises naturally if both objects are trailing the Large Magellanic Cloud.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Hypofractionated Image-Guided IMRT in Advanced Pancreatic Cancer With Simultaneous Integrated Boost to Infiltrated Vessels Concomitant With Capecitabine: A Phase I Study

Purpose: To determine the maximum tolerated radiation dose (MTD) of an integrated boost to the tumor subvolume infiltrating vessels, delivered simultaneously with radical dose to the whole tumor and concomitant capecitabine in patients with pretreated advanced pancreatic adenocarcinoma. Methods and Materials: Patients with stage III or IV pancreatic adenocarcinoma without progressive disease after induction chemotherapy were eligible. Patients underwent simulated contrast-enhanced four-dimensional computed tomography and fluorodeoxyglucose-labeled positron emission tomography. Gross tumor volume 1 (GTV1), the tumor, and GTV2, the tumor subvolume 1 cm around the infiltrated vessels, were contoured. GTVs were fused to generate Internal Target Volume (ITV)1 and ITV2. Biological tumor volume (BTV) was fused with ITV1 to create the BTV+Internal Target Volume (ITV) 1. A margin of 5/5/7 mm (7 mm in cranium-caudal) was added to BTV+ITV1 and to ITV2 to create Planning Target Volume (PTV) 1 and PTV2, respectively. Radiation therapy was delivered with tomotherapy. PTV1 received a fixed dose of 44.25 Gy in 15 fractions, and PTV2 received a dose escalation from 48 to 58 Gy as simultaneous integrated boost (SIB) in consecutive groups of at least 3 patients. Concomitant chemotherapy was capecitabine, 1250 mg/m{sup 2} daily. Dose-limiting toxicity (DLT) was defined as any treatment-related G3 nonhematological or G4 hematological toxicity occurring during the treatment or within 90 days from its completion. Results: From June 2005 to February 2010, 25 patients were enrolled. The dose escalation on the SIB was stopped at 58 Gy without reaching the MTD. One patient in the 2{sup nd} dose level (50 Gy) had a DLT: G3 acute gastric ulcer. Three patients had G3 late adverse effects associated with gastric and/or duodenal mucosal damage. All patients received the planned dose of radiation. Conclusions: A dose of 44.25 Gy in 15 fractions to the whole tumor with an SIB of 58 Gy to small tumor subvolumes concomitant with capecitabine is feasible in chemotherapy-pretreated patients with advanced pancreatic cancer.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

Preoperative Radiation Therapy With Concurrent Capecitabine, Bevacizumab, and Erlotinib for Rectal Cancer: A Phase 1 Trial

Purpose: The goal of this phase 1 trial was to determine the maximum tolerated dose (MTD) of concurrent capecitabine, bevacizumab, and erlotinib with preoperative radiation therapy for rectal cancer. Methods and Materials: Patients with clinical stage II to III rectal adenocarcinoma, within 12 cm from the anal verge, were treated in 4 escalating dose levels, using the continual reassessment method. Patients received preoperative radiation therapy with concurrent bevacizumab (5 mg/kg intravenously every 2 weeks), erlotinib, and capecitabine. Capecitabine dose was increased from 650 mg/m{sup 2} to 825 mg/m{sup 2} orally twice daily on the days of radiation therapy; erlotinib dose was increased from 50 mg orally daily in weeks 1 to 3, to 50 mg daily in weeks 1 to 6, to 100 mg daily in weeks 1 to 6. Patients underwent surgery at least 9 weeks after the last dose of bevacizumab. Results: A total of 19 patients were enrolled, and 18 patients were considered evaluable. No patient had grade 4 acute toxicity, and 1 patient had grade 3 acute toxicity (hypertension). The MTD was not reached. All 18 evaluable patients underwent surgery, with low anterior resection in 7 (39%), proctectomy with coloanal anastomosis in 4 patients (22%), posterior pelvic exenteration in 1 (6%), and abdominoperineal resection in 6 (33%). Of the 18 patients, 8 (44%) had pathologic complete response, and 1 had complete response of the primary tumor with positive nodes. Three patients (17%) had grade 3 postoperative complications (ileus, small bowel obstruction, and infection). With a median follow-up of 34 months, 1 patient developed distant metastasis, and no patient had local recurrence or died. The 3-year disease-free survival was 94%. Conclusions: The combination of preoperative radiation therapy with concurrent capecitabine, bevacizumab, and erlotinib was well tolerated. The pathologic complete response rate appears promising and may warrant further investigation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Structural, vibrational and morphological properties of layered double hydroxides containing Ni{sup 2+}, Zn{sup 2+}, Al{sup 3+} and Zr{sup 4+} cations

Layered double hydroxides are anionic clays with formula [M{sup II}{sub 1−x} M{sup III}{sub x}(OH){sub 2}]{sup q+}[A{sup n−}]{sub q/n}·mH{sub 2}O, finding possible uses as catalyst support, adsorbents and so on. In this paper, we address the phase formation of layered double hydroxides containing Ni{sup 2+}, Zn{sup 2+}, Al{sup 3+} and Zr{sup 4+} cations, namely, NiZn-Al, NiZn-AlZr and NiZn-Zr compositions obtained by the coprecipitation method. Such systems were characterized by X-ray diffraction, confirming the phase formation for NiZn-Al and NiZn-AlZr samples. Infrared and Raman spectroscopies elucidated the anion and water molecules occurrence in the interlayer. Nitrogen physisorption (BET method) determined the presence of pores and specific surface area. The isotherm shapes were Type IV, according to the IUPAC, and represent a mesoporous structure. A morphological study was performed by means of scanning and transmission electron microscopies, and particle size values of 120, 131 and 235 nm for NiZn-Al, NiZn-AlZr and NiZn-Zr, respectively, were determined. Thermogravimetric analysis of the decomposition of the systems revealed that their complete disintegration occurred at ~ 450 °C and resulted in mixed oxides.

36 MATERIALS SCIENCE↗