SEARCH · Engineering Papers

Results for “Dispersion”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,657 records · Page 92

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Chemical upgrade of carbon monoxide to acetate on an atomically dispersed copper catalyst via CO-insertion

Electrochemical conversion of small molecules such as carbon dioxide (CO 2 ) and carbon monoxide (CO) to high-value multi-carbon products (C 2+ ) offers a chemical upgrade approach for fuels and chemical feedstock production using renewable energy, in the possible absence of the petrochemical industry under the new energy system such as hydrogen economy. Identifying robust and efficient electrocatalysts to selectively produce C 2+ products remains a challenge. In this study, we report a synthetic strategy of atomically dispersing copper atoms on nitrogen-rich porous carbon (Cu–N–C) through pyrolysis of a supramolecular assembly. Benefitting from the unsaturated coordination structure, in KOH electrolyte, the Cu–N–C with a Cu content of 6.9 wt% exhibits a maximum acetate Faradaic efficiency (FE) of 30% with an acetate partial current density as high as 48 mA cm –2 in electrochemical CO reduction. Different from the C–C coupling mechanism on metallic copper, we propose a CO insertion mechanism for the acetate production on the single site copper catalyst.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Performance of U 3 Si–Al dispersion fuel at HANARO full-power condition

The irradiation performance of U3Si dispersion fuel in an Al matrix, U3Si-Al, under the Hi-Flux Advanced Neutron Application Reactor (HANARO) design full-power condition of 30 MW was tested for full-power qualification of the fuel. A test assembly was fabricated containing 18 fuel rods made with atomized U3Si powder manufactured at the Korea Atomic Energy Research Institute. The test assembly was irradiated for 188 full-power operation days in the HANARO subject to the normal fuel-loading scheme and achieved about 60 at% U-235 average burnup and 75 at% U-235 peak burnup. The maximum linear power of the test assembly was 98 kW/m. Nondestructive and destructive postirradiation examinations were conducted. The measured postirradiation examination data were compared with data from previous irradiations and the design criteria required for HANARO fuel. Consequently, it was concluded that in-pile performance was acceptable and fuel integrity was maintained, and the behavior satisfied the fuel design requirements.

Chae, Heetaek↗

DOE OSTI2025

A strategy for automated core design to increase economic viability and minimize fuel fragmentation, relocation, and dispersal susceptibility in high-burnup cores

The nuclear industry aims to increase the cycle length of pressurized water reactors from 18 to 24 months to increase power plant capacity factors and economic viability. These cycle length extensions will inherently require fuel rods to exceed the current peak rod average burnup limit of 62 GWd/MTU. A chief concern of operating beyond the current burnup limit is the fuel fragmentation, relocation, and dispersal (FFRD) phenomenon in which pulverized fuel fragments can axially relocate and escape through a burst in the cladding formed during a loss-of-coolant accident. In this work, we demonstrate an approach for automating core design employing an optimization tool based on a penalty-free, parallel simulated annealing algorithm to produce pressurized water reactor core designs with two different optimization objectives. The two objectives were to produce core designs with (1) mitigated FFRD susceptibility while achieving 24-month cycle lengths (2) maximum cycle length with no regard for the likelihood of FFRD. Batch size was considered in tandem with both cases to maximize economic viability. The PARCS nodal model was the primary reactor physics tool used in the optimizations and used nuclear cross sections calculated with 2D Polaris lattice physics models. Reactor performance and safety characteristics of the optimized cores were verified using high-fidelity Virtual Environment for Reactor Applications models. The core designs produced by the optimization tool are compared with each other and to a high-burnup core design produced and analyzed in previous works to highlight the fuel management strategies that may enhance high-burnup reactor safety and economic viability. The optimized cores satisfied their respective objective functions, producing a maximum cycle length of 720 effective full-power days in one core design and one that may reduce FFRD susceptibility by up to 50% based on the first-order approximation to FFRD risk formulated in this work. The optimized cores met most constraints but exceeded the hot channel factor limit, especially in FFRD cases where fresh fuel carried more power. Furthermore, this highlights the need for future lattice-level optimizations and broader assembly options.

Cycle length↗

DOE OSTI2025

Investigating the weak charge of 48 Ca using a dispersive optical model

A new nonlocal dispersive-optical-model analysis has been carried out for neutrons and protons in 48 Ca that reproduces the weak-form-factor measurement of CREX. In addition to elastic-scattering angular distributions, total and reaction cross sections, single-particle energies, the neutron and proton numbers, and the charge distribution, the CREX-measured weak form factor has been fit to extract the neutron and proton self-energies both above and below the Fermi energy. The resulting single-particle propagators yield a weak form factor of F w = 0.125 ± 0.05 and a neutron skin of R skin = 0.152 ± 0.05 fm, in good agreement with CREX. The rearrangement of the neutron distribution to accommodate such a thin neutron skin results in the high-momentum content of the neutrons exceeding that of the protons, in contrast to what is expected from high-energy two-nucleon knockout measurements by the CLAS collaboration and ab initio asymmetric matter calculations. The present analysis also emphasizes the importance of neutron experimental data in constraining weak charge observables necessary for a precise description of neutron densities. Notably, the neutron reaction cross section and further parity-violating experiments weak form factor measurements are essential to generate a unique way to determine the 48 Ca neutron distribution in this framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Benchmark of interfacial area concentration approaches for the two-fluid model in gas-dispersed condensing flow

Accurate predictions of interfacial area concentration (IAC) are required for closure of the condensation phase change term. The interfacial area transport equation (IATE) can dynamically predict interfacial area concentration and is increasingly being used in the benchmarking of phase change flows over static based correlations which require a flow regime map. For higher flow regimes, the two-group two-fluid IATE model can separately model the transport of spherical bubbles and cap/slug bubbles. Recently, a modified formulation of the one-group and two-group two-fluid model with interfacial area transport equation was proposed for gas-dispersed condensing flows. Three datasets have been used for validation consisting of condensing two-phase flow data in the unheated section of a vertical annulus with conditions spanning a range of pressures, inlet subcoolings and mass fluxes for benchmarking the various IAC approaches. For bubbly flows, the coupled void transport - IATE simulation results in good agreement in the predictions of the void fraction and the interfacial area concentration under nearly all sixty conditions. Considering the proposed two-group two-fluid IATE model formulation, the group-2 Nusselt number correlation is investigated to account for the appropriate heat transfer length scale for group-2 bubbles. Validation of the proposed two-group two-fluid model against the new dataset shows good agreement with experimental data with significant improvement over the one-group IATE model for conditions with substantial group-2 void fraction throughout the simulation domain.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

Studies of x-ray localization and thickness dependence in atomic-scale elemental mapping by STEM energy-dispersive x-ray spectroscopy using single-frame scanning method

The delocalization of x-ray signals limits the spatial resolution in atomic-scale elemental mapping by scanning transmission electron microscopy (STEM) using energy-dispersive x-ray spectroscopy (EDS). In this study, using a SrTiO 3 [001] single crystal, we show that the x-ray localization to atomic columns is strongly dependent on crystal thickness, and a thin crystal is critical for improving the spatial resolution in atomic-scale EDS mapping. A single-frame scanning technique is used in this study instead of the multiple-frame technique to avoid peak broadening due to tracking error. The strong thickness dependence is realized by measuring the full width at half maxima (FWHM) as well as the peak-to-valley (P/V) ratio of the EDS profiles for Ti K and Sr K+L, obtained at several crystal thicknesses. A FWHM of about 0.16 nm and a P/V ratio of greater than 7.0 are obtained for Ti K for a crystal thickness of less than 20 nm. In conclusion, with increasing crystal thickness, the FWHM and P/V ratio increases and decreases, respectively, indicating the advantage of using a thin crystal for high-resolution EDS mapping.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Quantification of methane emissions from 15 Danish landfills using the mobile tracer dispersion method

Highlights: • Quantification of whole landfill site methane emission at 15 landfills. • Multiple on-site source identification and quantification. • Quantified methane emission from shredder waste and composting. • Large difference between measured and reported methane emissions. - Abstract: Whole-site methane emissions from 15 Danish landfills were assessed using a mobile tracer dispersion method with either Fourier transform infrared spectroscopy (FTIR), using nitrous oxide as a tracer gas, or cavity ring-down spectrometry (CRDS), using acetylene as a tracer gas. The landfills were chosen to represent the different stages of the lifetime of a landfill, including open, active, and closed covered landfills, as well as those with and without gas extraction for utilisation or flaring. Measurements also included landfills with biocover for oxidizing any fugitive methane. Methane emission rates ranged from 2.6 to 60.8 kg h{sup −1}, corresponding to 0.7–13.2 g m{sup −2} d{sup −1}, with the largest emission rates per area coming from landfills with malfunctioning gas extraction systems installed, and the smallest emission rates from landfills closed decades ago and landfills with an engineered biocover installed. Landfills with gas collection and recovery systems had a recovery efficiency of 41–81%. Landfills where shredder waste was deposited showed significant methane emissions, with the largest emission from newly deposited shredder waste. The average methane emission from the landfills was 154 tons y{sup −1}. This average was obtained from a few measurement campaigns conducted at each of the 15 landfills and extrapolating to annual emissions requires more measurements. Assuming that these landfills are representative of the average Danish landfill, the total emission from Danish landfills were calculated at 20,600 tons y{sup −1}, which is significantly lower than the 33,300 tons y{sup −1} estimated for the national greenhouse gas inventory for 2011.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

ENERGY DISPERSIVE DIFFRACTION TOMOGRAPHY OF SHARK VERTEBRAL CENTRA

Shark vertebrae and their centra (vertebral bodies) are high-performance structures able to survive millions of cycles of high amplitude strain despite lacking a repair mechanism for accumulating damage. Shark centra consist of mineralized cartilage, a biocomposite of bioapatite (bAp), and collagen, and the nanocrystalline bAp's contribution to functionality remains largely uninvestigated. Using the multiple detector energy-dispersive diffraction (EDD) system at 6-BM-B, the Advanced Photon Source, and 3D tomographic sampling, the 3D functionality of entire centra were probed. Immersion in ethanol vs phosphate-buffered saline produces only small changes in bAp d-spacing within a great hammerhead centrum. EDD mapping under in situ loading was performed an entire blue shark centrum, and 3D maps of bAp strain showed the two structural zones of the centrum, the corpus calcareum and intermedialia, contained opposite-signed strains approaching 0.5%, and application of similar to 8% nominal strain did not alter these strain magnitudes and their spatial distribution.

Park, Jun-Sang↗

DOE OSTI2014

X-ray Energy-Dispersive Spectrometry During In Situ Liquid Cell Studies Using an Analytical Electron Microscope

The use of analytical spectroscopies during scanning/transmission electron microscope (S/TEM) investigations of micro- and nano-scale structures has become a routine technique in the arsenal of tools available to today's materials researchers. Essential to implementation and successful application of spectroscopy to characterization is the integration of numerous technologies, which include electron optics, specimen holders, and associated detectors. While this combination has been achieved in many instrument configurations, the integration of X-ray energy-dispersive spectroscopy and in situ liquid environmental cells in the S/TEM has to date been elusive. In this work we present the successful incorporation/modifications to a system that achieves this functionality for analytical electron microscopy.

Zaluzec, Nestor J.↗

DOE OSTI2016

Correlative Energy-Dispersive X-Ray Spectroscopic Tomography and Atom Probe Tomography of the Phase Separation in an Alnico 8 Alloy

Alnico alloys have long been used as strong permanent magnets because of their ferromagnetism and high coercivity. Understanding their structural details allows for better prediction of the resulting magnetic properties. However, quantitative three-dimensional characterization of the phase separation in these alloys is still challenged by the spatial quantification of nanoscale phases. Herein, we apply a dual tomography approach, where correlative scanning transmission electron microscopy (STEM) energy-dispersive X-ray spectroscopic (EDS) tomography and atom probe tomography (APT) are used to investigate the initial phase separation process of an alnico 8 alloy upon non-magnetic annealing. STEM-EDS tomography provides information on the morphology and volume fractions of Fe–Co-rich and Νi–Al-rich phases after spinodal decomposition in addition to quantitative information of the composition of a nanoscale volume. Subsequent analysis of a portion of the same specimen by APT offers quantitative chemical information of each phase at the sub-nanometer scale. Furthermore, APT reveals small, 2–4 nm Fe-rich α 1 phases that are nucleated in the Ni-rich α 2 matrix. From this information, we show that phase separation of the alnico 8 alloy consists of both spinodal decomposition and nucleation and growth processes. Lastly, we discuss the complementary benefits and challenges associated with correlative STEM-EDS and APT.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Rapid Assessment of the Physical Stability of Amorphous Solid Dispersions

Amorphous solid dispersions (ASDs) can potentially increase the apparent solubility and thereby the oral bioavailability of poorly soluble compounds. Furthermore, their physical instability, i.e., potential to crystallize, is a major concern. Our objective was to explore methods for rapid assessment of the physical stability of ASDs. Ketoconazole ASDs were prepared with each of the three polymers, poly(acrylic acid) (PAA), poly(2-hydroxyethyl methacrylate) (PHEMA), and polyvinylpyrrolidone (PVP). The physical stability of these ASDs was evaluated after exposure to 90% RH (25 °C) in an automated water sorption analyzer. The onset time for ketoconazole crystallization, induced by water sorption, was rank ordered as PAA > PHEMA > PVP. Additionally, the ability of the polymers to inhibit crystallization on contact with aqueous medium was studied by powder X-ray diffractometry using synchrotron radiation. In this case, the rank ordering was PAA ~ PHEMA > PVP. To check the validity of our approach, the long-term stability of ketoconazole in ASDs was evaluated in the glassy state, both at 25 and at 40 °C, and was rank ordered as PAA > PHEMA > PVP. Crystallization, accelerated by water vapor sorption, can serve as an effective preliminary screening tool to rapidly evaluate and rank order the physical stability of ASDs.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Effect of Polymer Molecular Weight on the Crystallization Behavior of Indomethacin Amorphous Solid Dispersions

The influence of the molecular weight of polyvinylpyrrolidone (PVP) on the molecular mobility and physical stability of indomethacin (IMC)–PVP solid dispersions was investigated over a wide temperature range in the supercooled state. As the polymer molecular weight increased, there was a decrease in molecular mobility as evident from the longer α-relaxation times. Inhibition of IMC crystallization also increased as a function of polymer molecular weight. The extent of H-bonding interaction between drug and polymer, quantified by ssNMR, was independent of polymer molecular weight. Over a polymer concentration range of 5–20% w/w, the temperature dependence of mobility and viscosity was reasonably similar for different grades of PVP. Here, it was concluded that the increase in effectiveness in crystallization inhibition as a function of polymer molecular weight is due to the increased viscosity, which slows down the mobility of these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Compression-Induced Crystallization in Sucrose-Polyvinylpyrrolidone Amorphous Solid Dispersions

Tablets of amorphous sucrose and sucrose-polyvinylpyrrolidone (PVP) amorphous solid dispersions were compressed at 25, 75, or 150 MPa at dwell times ranging from 5 to 900 s. Compression-induced physical destabilization was evident from differential scanning calorimetry. Crystallization kinetics was monitored using a laboratory source X-ray diffractometer, while crystallization was detected using highly sensitive synchrotron radiation. At the highest compression pressure, sucrose crystallization was evident immediately after compression. However, the addition of PVP, even at a low concentration of 1% w/w, inhibited crystallization. Furthermore, nucleation itself was completely prevented at higher PVP concentrations (≥15% w/w) under a compression pressure of practical interest (150 MPa with 5 s dwell time). However, an increase in dwell time (e.g., to 60 s) facilitated nucleation, and there was an increase in nucleation density as a function of dwell time. Both polymer content and sample history were pivotal factors limiting compression-induced crystallization in plasticized amorphous systems. Furthermore, plasticization was found to amplify compression-induced destabilization. PVP, in a concentration dependent manner, attenuated this effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

High-Performance Catalytic Four-Channel Hollow Fibers with Highly Dispersed Nickel Nanoparticles Prepared by Atomic Layer Deposition for Dry Reforming of Methane

In this study, highly dispersed nickel (Ni) nanoparticles (NPs) with an average particle size of 4.3 nm were uniformly deposited on the outer surface, the inner channel surface, and inside the pores of 20-cm long 4-channel α-Al 2 O 3 hollow fibers (HFs) by atomic layer deposition (ALD) for dry reforming of methane (DRM). Cerium oxide (CeO 2 ) was added to promote the catalytic performance of Ni/Al 2 O 3 -HF catalysts. Rationally designed filling methods, by tuning the reactor size and inert fillings, can reduce the catalyst bed voidage in a fixed bed reactor for better reactant gas distribution, effectively utilize the Ni reactive sites, and achieve excellent catalytic performance. It was found that the CeO 2 -promoted Ni/Al 2 O 3 -HF catalyst was highly active and highly stable without deactivation during an overall 400-hr DRM test at 850 ºC. CeO 2 with reversible valence states could participate in surface reactions; especially, the formation of CeAlO 3 provided sufficient surface Ce 3+ for CO 2 activation and enhanced the stability and reusability of the HF catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Anharmonic phonon dispersion in polyethylene

The second-order Green's function method for anharmonic crystals has been applied to an infinite, periodic chain of polyethylene taking into account up to quartic force constants. The frequency-independent approximation to the Dyson self-energy gives rise to numerous divergent resonances, which are fortuitous. Instead, solving the Dyson equation self-consistently with a frequency-dependent self-energy resists divergences from resonances or zero-frequency acoustic vibrations. Here, the calculated anharmonic phonon dispersion, which nonetheless displays many true resonances, and anharmonic phonon density of states furnish hitherto unknown details that explain smaller features of observed vibrational spectra.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Adsorption and Catalytic Activity of Gold Nanoparticles in Mesoporous Silica: Effect of Pore Size and Dispersion Salinity

The assembled state of nanoparticles (NPs) within porous matrices plays a governing role in directing their biological, electronic, and catalytic properties. However, the effects of the spatial confinement and environmental factors, such as salinity, on the NP assemblies within the pores are poorly understood. In this study, we use adsorption isotherms, spectrophotometry, and small-angle neutron scattering to develop a better understanding of the effect of spatial confinement on the assembled state and catalytic performance of gold (Au) NPs in propylamine-functionalized SBA-15 and MCM-41 mesoporous silica materials (mSiO 2 ). We carry out a detailed investigation of the effect of pore diameter and ionic strength on the packing and spatial distribution of AuNPs within mSiO 2 to get a comprehensive insight into the structure, functioning, and activity of these NPs. We demonstrate the ability of the adsorbed AuNPs to withstand aggregation under high salinity conditions. We attribute the observed preservation of the adsorbed state of AuNPs to the strong electrostatic attraction between oppositely charged pore walls and AuNPs. The preservation of the structure allows the AuNPs to retain their catalytic activity for a model reaction in high salinity aqueous solution, here, the reduction of p-nitrophenol to p-aminophenol, which otherwise is significantly diminished due to bulk aggregation of the AuNPs. This fundamental study demonstrates the critical role of confinement and dispersion salinity on the adsorption and catalytic performance of NPs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS 2

Gold islands are typically associated with high binding affinity to adsorbates and catalytic activity. In this paper, we present the growth of dispersed nanoscale gold islands on single layer MoS 2 , prepared on an inert SiO 2 /Si support by chemical vapor deposition. This study offers a combination of growth process development, optical characterization, photoelectron spectroscopy at submicron spatial resolution, and advanced density functional theory modeling for detailed insight into the electronic interaction between gold and single-layer MoS 2 . In particular, we find the gold density of states in Au/MoS 2 /SiO 2 /Si to be far less well-defined than Au islands on other 2-dimensional materials such as graphene, for which we also provide data. We attribute this effect to the presence of heterogeneous Au adatom/MoS 2 -support interactions within the nanometer-scale gold cluster. Theory predicts that CO will exhibit adsorption energies in excess of 1 eV at the Au cluster edges, where the local density of states is dominated by Au 5d z 2 symmetry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

High Activity of Au/K/TiO 2 (110) for CO Oxidation: Alkali-Metal-Enhanced Dispersion of Au and Bonding of CO

In this paper, images from scanning tunneling microscopy show high mobility for potassium (K) on an oxidized TiO 2 (110) surface. At low coverages, the alkali metal occupies mainly terrace sites of the o-TiO 2 (110) system. The results of X-ray photoelectron spectroscopy indicate that K is fully ionized. The electron transferred from K to the titania affects the reactivity of this oxide, favoring the dispersion of Au particles on the terraces of the o-TiO 2 (110) surface. When small coverages of K and Au are present on the o-TiO 2 (110) system, only a few K–Au pairs are formed and the alkali metal affects Au chemisorption mainly through the oxide interactions. Addition of K to Au/o-TiO 2 (110) enhances the reactivity of the system, opening new reaction paths for the adsorption and oxidation of carbon monoxide. CO can undergo disproportionation (2CO → C ads + CO 2,ads ) on K/o-TiO 2 (110) and Au/K/o-TiO 2 (110) surfaces. The Au–KO x interface binds CO much better than plain Au–TiO 2 , increasing the surface coverage of CO and facilitating its oxidation. Kinetic tests show that K promotes CO oxidation on Au/TiO 2 . Finally, turnover frequencies of 2.1 and 10.8 molecules (Au site) -1 s –1 were calculated for oxidation of CO on Au/o-TiO 2 (110) and Au/K/o-TiO 2 (110) catalysts, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗