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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Bringing HPE Slingshot 11 support to Open MPI

The Cray HPE Slingshot 11 network is used on the new exascale systems arriving at the U.S. Department of Energy (DoE) laboratories (e.g., Frontier, Aurora, Perlmutter). As such, the support of this network is an important capability to meet the needs of exascale applications. Here, this article highlights recent work to develop supporting infrastructure to enable Open MPI to efficiently support these new platforms. A key component of this effort involves development of a new Open Fabrics Interface (OFI) provider, LinkX. We discuss the design and development of enhancements that take advantage of the new Slingshot 11 network and AMD GPUs. We include performance data from tests on the Frontier supercomputer using synthetic communication benchmarks, and the vendor provided MPI as a baseline for comparison. The tests demonstrate full functionality of Open MPI on the system and initial results show favorable performance when compared to the highly tuned vendor implementation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

The Role of Hydroxyl Group Acidity on the Activity of Silica-Supported Secondary Amines for the Self-Condensation of n -Butanal

The catalytic activity of secondary amines supported on meso-porous silica for the self-condensation of n -butanal to 2-ethylhexenal can be altered significantly by controlling the Brønsted acidity of M - OH species present on the surface of the support. In this study, M - OH (M = Sn, Zr, Ti, and Al) groups were doped onto the surface of SBA-15, a mesoporous silica, prior to grafting secondary propyl amine groups on to the support surface. The catalytic activity was found to depend critically on the synthesis procedure, the nature and amount of metal species in-troduced and the spatial separation between the acidic sites and amine groups. DFT analysis of the reaction pathway indicates that, for weak Brønsted acid groups, such as Si - OH, the rate-limiting step is C - C bond formation, whereas for stronger Brønsted acid groups, such as Ti and Al, hydrolysis of iminium species produced upon C - C bond formation is the rate-limiting step. Finally, theoretical analysis shows further that the apparent activation energy decreases with increasing Brønsted acidity of the M - OH groups, consistent with experimental observation.

aldol reaction↗
DOE OSTI2016

Water oxidation by size selected Co 27 clusters supported on Fe 2 O 3

The complexity of the water oxidation reaction makes understanding the role of individual catalytic sites critical to improving the process. Here, size-selected 27-atom cobalt clusters (Co 27 ) deposited on hematite (Fe 2 O 3 ) anodes were tested for water oxidation activity. The uniformity of these anodes allows measurement of the activity of catalytic sites of well-defined nuclearity and known density. Grazing incidence X-ray absorption near-edge spectroscopy (GIXANES) characterization of the anodes before and after electrochemical cycling demonstrates that these Co 27 clusters are stable to dissolution even in the harsh water oxidation electrochemical environment. They are also stable under illumination at the equivalent of 0.4suns irradiation. The clusters show turnover rates for water oxidation that are comparable or higher than those reported for Pd- and Co-based materials or for hematite. The support for the Co 27 clusters is Fe 2 O 3 grown by atomic layer deposition on a Si chip. We have chosen to deposit a Fe2O3 layer that is only a few unit cells thick (2nm), to remove complications related to exciton diffusion. We find that the electrocatalytic and the photoelectrocatalytic activity of the Co 27 /Fe 2 O 3 material is significantly improved when the samples are annealed (with the clusters already deposited). Lastly, given that the support is thin and that the cluster deposition density is equivalent to approximately 5% of an atomic monolayer, we suggest that annealing may significantly improve the exciton diffusion from the support to the catalytic moiety.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Associations among hydrologic classifications and fish traits to support environmental flow standards

Classification systems are valuable to ecological management in that they organize information into consolidated units thereby providing efficient means to achieve conservation objectives. Of the many ways classifications benefit management, hypothesis generation has been discussed as the most important. However, in order to provide templates for developing and testing ecologically relevant hypotheses, classifications created using environmental variables must be linked to ecological patterns. Herein, we develop associations between a recent US hydrologic classification and fish traits in order to form a template for generating flow ecology hypotheses and supporting environmental flow standard development. Tradeoffs in adaptive strategies for fish were observed across a spectrum of stable, perennial flow to unstable intermittent flow. In accordance with theory, periodic strategists were associated with stable, predictable flow, whereas opportunistic strategists were more affiliated with intermittent, variable flows. We developed linkages between the uniqueness of hydrologic character and ecological distinction among classes, which may translate into predictions between losses in hydrologic uniqueness and ecological community response. Comparisons of classification strength between hydrologic classifications and other frameworks suggested that spatially contiguous classifications with higher regionalization will tend to explain more variation in ecological patterns. Despite explaining less ecological variation than other frameworks, we contend that hydrologic classifications are still useful because they provide a conceptual linkage between hydrologic variation and ecological communities to support flow ecology relationships. Mechanistic associations among fish traits and hydrologic classes support the presumption that environmental flow standards should be developed uniquely for stream classes and ecological communities, therein.

aquatic conservation↗
DOE OSTI2014

The development of poly(vinyl chloride) [PVC] extrusions for a 14,000-ton self-supporting structure for the detection of neutrinos

The NOvA Neutrino Experiment has built a one of a kind self-supporting plastic structure, potentially the largest ever built. The PVC structure serves as a neutrino detector and is composed of 28 individual blocks that measure 15.5 m (51 feet) high by 15.5 m (51 feet) wide by 2.1 m (7 feet) deep. The primary parts in the detector construction are 15.5m (51 foot), 15-cell PVC extrusions. These extrusions from the basis of the detector modules which are laminated together in a crossed pattern to form the individual blocks and then filled with mineral oil based liquid scintillator. The self-supporting nature of the detector places important structural requirements on both the PVC formulation and the extrusions. Block assembly requirements impose narrow geometric tolerances. Due to the method of detecting neutrinos, the extrusions must possess exceptionally high reflectivity over a particular wavelength range. The requirement places additional restrictions on the components of the PVC formulation. Altogether, the PVC extrusions have to maintain important reflectivity characteristics, provide structural support to the detector, and meet relatively tight geometric requirements for assembly. In order to meet these constraints, a custom PVC formulation had to be created and extruded. Here, we describe the purpose and requirements of the NOvA detector leading to the production of our unique PVC extrusion, summarize the R&D process, and discuss the lessons learned.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Scenario analysis for techno-economic model development of U.S. offshore wind support structures

Challenging bathymetry and soil conditions of future US offshore wind power plants might promote the use of multimember, fixed-bottom structures (or 'jackets') in place of monopiles. Support structures affect costs associated with the balance of system and operation and maintenance. Understanding the link between these costs and the main environmental design drivers is crucial in the quest for a lower levelized cost of energy, and it is the main rationale for this work. Actual cost and engineering data are still scarce; hence, we evaluated a simplified engineering approach to tie key site and turbine parameters (e.g. water depth, wave height, tower-head mass, hub height and generator rating) to the overall support weight. A jacket-and-tower sizing tool, part of the National Renewable Energy Laboratory's system engineering software suite, was utilized to achieve mass-optimized support structures for 81 different configurations. This tool set provides preliminary sizing of all jacket components. Results showed reasonable agreement with the available industry data, and that the jacket mass is mainly driven by water depth, but hub height and tower-head mass become more influential at greater turbine ratings. A larger sensitivity of the structural mass to wave height and target eigenfrequency was observed for the deepest water conditions (>40 m). Thus, techno-economic analyses using this model should be based on accurate estimates of actual metocean conditions and turbine parameters especially for deep waters. Finally, the relationships derived from this study will inform National Renewable Energy Laboratory's offshore balance of system cost model, and they will be used to evaluate the impact of changes in technology on offshore wind lower levelized cost of energy.

17 WIND ENERGY↗
DOE OSTI2016

Infrared spectroscopy investigation of Fe-promoted Rh catalysts supported on Titania and Ceria for CO hydrogenation

The nature of the promotional effect of Fe addition to Rh/TiO 2 and Rh/CeO 2 catalysts for CO hydrogenation was investigated using FT-IR spectroscopy in an ultrahigh vacuum compatible transmission IR cell. CO adsorption experiments on Rh and FeRh showed vibrational signatures characteristic of linear and bridge bound CO on Rh0 as well as geminal-dicarbonyl species associated with Rh + . Compared to TiO 2 , the CeO 2 -supported catalysts show increased dispersion, reflected by decreased particle size, and a lower signal for linear versus geminal-dicarbonyl bonded CO. The absorption frequencies for CO on Rh/CeO 2 are also redshifted relative to Rh/TiO 2 , which results from a weaker Rh–CO interaction, likely due to the increased reducibility of the CeO 2 support. Upon addition of Fe, a new spectral feature is observed and attributed to CO bound to Rh in close contact with Fe, likely as a surface alloy. CO hydrogenation on (Fe)Rh catalysts on both supports was also studied. Compared to bare Rh, Fe containing catalysts promote formate and methoxy species on the surface at lower temperature (180 °C), which suggests an enhancement in methanol selectivity by Fe addition. Furthermore, at higher temperatures (220 °C), the spectral features appear similar, further confirming the role of Fe as a disrupter of large Rh o crystallites and regulator of CO dissociation and CH 4 formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Do agrivoltaics improve public support for solar? A survey on perceptions, preferences, and priorities

Abstract Agrivoltaic systems integrate agricultural production with solar photovoltaic electricity generation. Given the proven technical, economic, and environmental co-benefits provided by agrivoltaic systems, increased proliferation is anticipated, which necessitates accounting for the nuances of community resistance to solar development on farmland and identifying pathways for mitigation. Minimizing siting conflict and addressing agricultural communities’ concerns will be key in continued deployment of agrivoltaics, as localized acceptance of solar is a critical determinant of project success. This survey study assessed if public support for solar development increases when energy and agricultural production are combined in an agrivoltaic system. Results show that 81.8% of respondents would be more likely to support solar development in their community if it integrated agricultural production. This increase in support for solar given the agrivoltaic approach highlights a development strategy that can improve local social acceptance and the deployment rate of solar. Survey respondents prefer agrivoltaic projects that a) are designed to provide economic opportunities for farmers and the local community b) are not located on public property c) do not threaten local interests and d) ensure fair distribution of economic benefits. Proactively identifying what the public perceives as opportunities and concerns related to agrivoltaic development can help improve the design, business model, and siting of systems in the U.S.

Pascaris, Alexis S. (ORCID:0000000253806927)↗
DOE OSTI2014

An Experimental Test Facility to Support Development of the Fluoride Salt Cooled High Temperature Reactor

The need for high-temperature (greater than 600 C) energy exchange and delivery systems is significantly increasing as the world strives to improve energy efficiency and develop alternatives to petroleum-based fuels. Liquid fluoride salts are one of the few energy transport fluids that have the capability of operating at high temperatures in combination with low system pressures. The Fluoride Salt-Cooled High-Temperature Reactor design uses fluoride salt to remove core heat and interface with a power conversion system. Although a significant amount of experimentation has been performed with these salts, specific aspects of this reactor concept will require experimental confirmation during the development process. The experimental facility described here has been constructed to support the development of the Fluoride Salt Cooled High Temperature Reactor concept. The facility is capable of operating at up to 700 C and incorporates a centrifugal pump to circulate FLiNaK salt through a removable test section. A unique inductive heating technique is used to apply heat to the test section, allowing heat transfer testing to be performed. An air-cooled heat exchanger removes added heat. Supporting loop infrastructure includes a pressure control system; trace heating system; and a complement of instrumentation to measure salt flow, temperatures, and pressures around the loop. The initial experiment is aimed at measuring fluoride salt heat transfer inside a heated pebble bed similar to that used for the core of the pebble bed advanced high-temperature reactor. This document describes the details of the loop design, auxiliary systems used to support the facility, the inductive heating system, and facility capabilities.

fluoride salt reactor FLiNaK↗
DOE OSTI2011

Reverse Micelle Synthesis and Characterization of Supported Pt/Ni Bimetallic Catalysts on gamma-Al2O3

Reverse micelle synthesis was used to improve the nanoparticle size uniformity of bimetallic Pt/Ni nanoparticles supported on {gamma}-Al{sub 2}O{sub 3}. Two impregnation methods were investigated to optimize the use of the micelle method: (1) step-impregnation, where Ni nanoparticles were chemically reduced in microemulsion and then supported, followed by Pt deposition using incipient wetness impregnation, and (2) co-impregnation, where Ni and Pt were chemically reduced simultaneously in microemulsion and then supported. Transmission electron microscopy (TEM) was used to characterize the particle size distribution. Atomic absorption spectroscopy (AAS) was used to perform elemental analysis of bimetallic catalysts. Extended X-ray absorption fine structure (EXAFS) measurements were utilized to confirm the formation of the Pt-Ni bimetallic bond in the step-impregnated catalyst. CO pulse chemisorption and Fourier transform infrared spectroscopy (FTIR) studies of 1,3-butadiene hydrogenation in a batch reactor were performed to determine the catalytic activity. Step-impregnated Pt/Ni catalyst demonstrated enhanced hydrogenation activity over the parent monometallic Pt and Ni catalysts due to bimetallic bond formation. The catalyst synthesized using co-impregnation showed no enhanced activity, behaving similarly to monometallic Ni. Overall, our results indicate that reverse micelle synthesis combined with incipient wetness impregnation produced small, uniform nanoparticles with bimetallic bonds that enhanced hydrogenation activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Assessment and comparison of ordered & non-ordered supported metal oxide catalysts for upgrading propane to propylene

Propylene is an important chemical feedstock that is largely produced via cracking of oil-derived naphtha. Direct conversion of propane into propylene may be a more attractive alternative. Specifically, propane dehydrogenation (DH) and oxidative dehydrogenation (ODH) are promising for this transformation, albeit only DH has been industrially implemented. However, even the best DH catalysts (Pt-based) still suffer from deactivation. VO x - and BO x -based ODH catalysts result in significant over-oxidation and lack a mechanistic understanding. A common challenge in developing these catalysts is the broad distribution of surface species caused by the use of non-ordered catalyst supports. This hampers clear structure-performance correlations. Recent progress in the preparation of well-defined active sites on ordered supports has brought about improved catalysts, as well as fundamental insight into the working mechanism. This review will highlight recent advancements in the development of these catalysts and provide direction on the use of ordered supports for propane upgrading.

03 NATURAL GAS↗
DOE OSTI2025

Tuning transition metal nanoparticles on a non-traditional support via experimental design

The ability to control metal nanoparticle size and morphology on supported catalysts is crucial for optimizing catalytic performance in targeted applications. Here, this work presents a systematic approach for tuning Ni particle and crystallite size on an unconventional, low-porosity silica fume support through select thermal treatments. The catalyst was synthesized via the deposition of nickelocene onto silica fume, resulting in well-dispersed Ni nanoparticles. A face-centered central composite design was employed to systematically assess the effects of time, temperature, and sintering gas environment on metal particle growth. The results demonstrate that the sintering gas environment is the primary factor governing particle and crystallite evolution, with temperature as the next most significant influence. Nickel nanoparticles sintered at temperatures of 650 °C and above under inert conditions exhibited substantial growth and polycrystalline structures, whereas samples treated in oxidative environments formed NiO, restricting particle mobility. Minimally oxidative (500 ppm O₂) environments facilitated rapid sintering while effectively removing residual ligands from the one-step nickelocene deposition process. Extensive structural characterization via a combination of scanning transmission electron microscopy, X-ray diffraction, hydrogen temperature programmed reduction, and small-angle X-ray scattering revealed that oxidative treatments enhanced metal-support interactions, as evidenced by increased reduction temperatures and narrower particle size distributions. These findings establish quantitative relationships between sintering parameters and Ni nanoparticle characteristics, providing a framework for rational catalyst design through controlled thermal treatments. This methodology is broadly applicable to other catalytic systems and provides a quantitative foundation for catalyst design.

CVD↗
DOE OSTI2018

Molecular structure and sour gas surface chemistry of supported K 2 O/WO 3 /Al 2 O 3 catalysts

Molecular structures of the unprompted and K 2 O-promoted supported WO 3 /Al 2 O 3 catalysts were studied with in situ Raman and UV-vis spectroscopy. In situ Raman spectra revealed that supported 20% WO 3 /Al 2 O 3 corresponds to near monolayer coverage of isolated and oligomeric surface WOx species on Al 2 O 3 . Above monolayer surface WO x coverage (21% WO 3 /Al 2 O 3 ), crystalline WO 3 nanoparticles are also present. The addition of K 2 O to the supported WO 3 /Al 2 O 3 catalyst increased the concentration of isolated surface WO x species and did not form K 2 WO 4 nanoparticles. The reducibility of the tungsten oxide structures depends on their structures (2D or 3D) and the K 2 O promoter. Their interaction with acidic CO 2 and SO 2 gases was also investigated. Adsorption of CO 2 creates several surface carbonate species of varying acidity that were detected using a combination of in situ IR and mass spectroscopy. Adsorbed bicarbonate form on weakly basic surface sites on tungsten oxide monolayer WO 3 /Al 2 O 3 catalyst as well as in the presence of low 2.5% K 2 O loading. At high 5% K 2 O loading, the presence of the strong surface basic sites yields adsorbed carbonates. In conclusion, after SO 2 pretreatment, however, new strongly adsorbed sulfate appears on the surface that inhibit CO 2 adsorption.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Nitrogen functionalized carbon black: A support for Pt nanoparticle catalysts with narrow size dispersion and high surface area

Amorphous carbon is widely used as a support for Pt nanoparticle catalysts. We show here that catalytic performance can be greatly improved by functionalizing the carbon support with a nitrogen-containing molecule, in conjunction with a new method for the in situ synthesis of nanocrystalline Pt. Vulcan® carbon black is covalently functionalized with 4-aminomethylpyridine (4AMP) via formation of an acid chloride on the surface followed by amidation. The resulting 4AMP-functionalized Vulcan® (4AMP-VC) was thoroughly characterized and shown to contain N at the surface of the Vulcan® carbon support. We note Pt nanoparticles grown on the 4AMP-VC have a smaller average size and much narrower size distribution than Pt nanoparticles grown on bare Vulcan® (VC). In addition, the Pt/4AMP-VC catalysts show higher catalytic activity and are more durable than their Pt/VC counterparts. We infer through careful analysis of X-ray photoelectron spectra that the Pt nanoparticles bind preferentially to the pyridinic nitrogen of the 4AMP.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Gold nanocatalysts supported on heterostructured PbSO4-MCF mesoporous materials for CO oxidation

Metal oxides are commonly used as the supports of gold nanoparticles for catalytic CO oxidation, whereas metal salts are rarely considered suitable supports. In the present work, we developed a new kind of gold nanocatalyst supported on heterostructured PbSO4-MCF mesoporous materials that was prepared by an in situ growth method using dodecylbenzenesulfonate (SOBS) as a sulfonate precursor. It was found that an Au/PbSO4-MCF (SDBS) catalyst preheated at 300 degrees C showed high CO conversion below 100 degrees C. In addition, the stability of selected catalysts was studied as a function of time on stream. Because of the alteration of surface properties, these Au nanocatalysts were highly sinter-resistant. Published by Elsevier B.V.

Li, Lin↗
DOE OSTI2014

ROLE OF TUNGSTEN IN THE AQUEOUS PHASE HYDRODEOXYGENATION OF ETHYLENE GLYCOL ON TUNGSTATED ZIRCONIA SUPPORTED PALLADIUM

The focus of the present work was specifically on the elucidation of the role played by tungsten on the catalytic activity and selectivity of tungstated zirconia supported palladium (Pd-mWZ) for the aqueous phase hydrodeoxygenation (APHDO) of ethylene glycol (EG). Zirconia supported palladium (Pd-mZ) was used as reference. The catalysts were prepared via incipient wet impregnation and characterized using X-ray diffraction (XRD), temperature-programmed reduction (TPR), CO pulse chemisorption, CO-DRIFTS, ammonia temperature-programmed desorption (NH3-TPD) and pyridine adsorption. The presence of W results in larger Pd particles on supported Pd catalysts, i.e., 0.9 and 6.1 nm Pd particles are for Pd-mZ and Pd-mWZ, respectively. For comparison purposes, the activity of the catalytic materials used in this work was obtained using a well-defined set of operating conditions. The catalytic activity measurements show that the overall intrinsic activity of Pd particles on mWZ is 1.9 times higher than on mZ. APHDO process appears to be highly favored on Pd-mWZ whereas Pd-mZ exhibits a higher selectivity for reforming. This difference in terms of selectivity seems to be related to the high concentration of Brønsted acid sites and electron-deficient Pd species present on Pd-mWZ.

AQUEOUS PHASE HYDRODEOXYGENATION↗
DOE OSTI2016

Effect of nanostructured carbon support on copper electrocatalytic activity toward CO 2 electroreduction to hydrocarbon fuels

The effect of support on electrocatalytic activity of Cu nanoparticles (NPs) towards CO 2 electroreduction to hydrocarbon fuels (CH 4 and C 2 H 4 ) is investigated for three types of nanostructured carbons: single wall carbon nanotubes (SWNT), graphene (GP) and onion-like carbon (OLC). Cu/SWNT, Cu/GP and Cu/OLC composite catalysts are synthesized and characterized by X-Ray diffraction analysis, transmission electron microscopy and electrochemical surface area measurements. Electrocatalytic activities of the synthesized materials, as measured in an electrochemical cell connected to a gas chromatograph, are compared to that of Cu NPs supported on Vulcan carbon. All four catalysts demonstrate higher activity towards C 2 H 4 generation vs CH 4 , with production of the latter mostly suppressed on Cu NPs supported on nanostructured substrates. Onset potentials for C 2 H 4 vs CH 4 generation are shifted positively by 200 mV for Cu/SWNT, Cu/GP, and Cu/OLC catalysts. The Cu/OLC catalyst is found to be superior to the other two nanostructured catalysts in terms of stability, activity and selectivity towards C 2 H 4 generation. Its faradaic efficiency reached 60% at -1.8 V vs Ag/AgCl. The enhanced activity and stability of Cu/OLC catalyst can be attributed to the unique catalyst design, wherein a shell of OLC surrounds the Cu NPs such that the outer layer acts as a filter that protects the Cu surface from adsorption of undesirable species, enhances its electrocatalytic performance, and improves its viability in CO 2 electroreduction reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Aerobic oxidative esterification of primary alcohols over Pd-Au bimetallic catalysts supported on mesoporous silica nanoparticles

Here we have prepared a series of mesoporous silica nanoparticle (MSN) supported Pd-Au bimetallic catalysts using a newly developed sequential impregnation method. These catalysts were fully characterized by various techniques including nitrogen sorption, powder X-ray diffraction, inductively coupled plasma mass spectrometry (ICP-MS), transmission electron microscopy (TEM) and high angle annular dark-field scanning transmission electron microscopy (HADDF-STEM). By using this synthetic approach, we observed metal nanoparticles (NP) with diameters of 1–2 nm homogeneously supported on the MSN. The catalytic performance of these MSN supported metal NPs was tested by aerobic oxidative esterification in a tandem reaction where primary alcohols are oxidized to their corresponding aldehydes and to esters in a subsequent reaction. We determined that Pd NPs are very efficient in the first step of oxidation; however, stagnant in the subsequent oxidation. On the contrary, Au NPs show slow reactivity in converting alcohols to aldehydes, but extraordinarily efficient in the oxidation of aldehydes to esters. By fine tuning the metal ratio, the bimetallic catalyst exhibits better reactivity and selectivity toward a variety of primary alcohols than the corresponding monometallic catalysts. In addition, we also found that the bimetallic Pd-Au@MSN catalysts can be recycled three times without a significant loss in activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗