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At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Microstructure Changes Observed in the Near-Surface Region of SRF Nb Cavities Cutouts upon Cooling/Heating Cycles Using GI-Synchrotron XRD

We have mapped microstructural changes in the near-surface region of Nb from SRF cavity-cutouts upon thermal cycles in the range from 300 to 30 K using grazing incidence synchrotron X-Ray diffraction (GIXRD). Segregation of secondary phases was observed after the thermal cycle, and their nature has been clarified and discussed in view of previous studies on hydrides formation in SRF bulk Nb cavities. The temperature dependence of the relative population of these formed phases was obtained from GIXRD patterns profile fitting. Both, Nb bulk matrix and the new phases formed after cool-down show specific structural features as thermal contraction/expansion, structural transitions, and Nb lattice variation due to the induced strain by precipitates formation. The information derived from this structural study can explain some phenomena as the dissipation at high accelerating field (i.e. High Field Q Slope, HFQS) in the Nb SRF performance as well as new mechanisms never addressed in previous studies.

43 PARTICLE ACCELERATORS↗
NASA NTRS1974

Indium antimonide crystal growth experiment M562

It was established that ideal diffusion controlled steady state conditions, never accomplished on earth, were achieved during the growth of Te-doped InSb crystals in Skylab. Surface tension effects led to nonwetting conditions under which free surface solidification took place in confined geometry. It was further found that, under forced contact conditions, surface tension effects led to the formation of surface ridges (not previously observed on earth) which isolated the growth system from its container. In addition, it was possible, for the first time, to identify unambiguously: the origin of segregation discontinuities associated with facet growth, the mode of nucleation and propagation of rotational twin boundaries, and the specific effect of mechanical-shock perturbations on segregation. The results obtained prove the advantageous conditions provided by outer space. Thus, fundamental data on solidification thought to be unattainable because of gravity-induced interference on earth are now within reach.

Gatos, H. C.↗
NASA NTRS1996

An Efficient Means of Adaptive Refinement Within Systems of Overset Grids

An efficient means of adaptive refinement within systems of overset grids is presented. Problem domains are segregated into near-body and off-body fields. Near-body fields are discretized via overlapping body-fitted grids that extend only a short distance from body surfaces. Off-body fields are discretized via systems of overlapping uniform Cartesian grids of varying levels of refinement. a novel off-body grid generation and management scheme provides the mechanism for carrying out adaptive refinement of off-body flow dynamics and solid body motion. The scheme allows for very efficient use of memory resources, and flow solvers and domain connectivity routines that can exploit the structure inherent to uniform Cartesian grids.

Meakin, Robert L.↗
DOE OSTI2025

Conformal high-entropy oxide coatings enable fast and durable surface oxygen reactions

Developing active and durable air electrodes for efficient oxygen reactions is challenging for protonic ceramic cells (PCCs), especially at temperatures below 550°C. Here, in this study, we report a rationally designed conformal coating with a high-entropy PrNi 0.2 Mn 0.2 Co 0.2 Fe 0.2 Cu 0.2 O 3−δ (PNMCFC) perovskite structure on the surface of a state-of-the-art PrBaCo 2 O 5+δ (PBC) air electrode. The formed hybrid air electrode (PNMCFC-PBC) shows faster surface oxygen kinetics and a more stable phase structure in high-humidity air than the bare PBC electrode. Further density functional theory calculations suggest that the conformal coating mitigates Ba segregation at the interface and improves oxygen-related reactions, enhancing overall stability and electrocatalytic performance. The cells with the developed hybrid electrodes show encouraging electrochemical performance at 550°C: a polarization resistance of 0.72 Ω cm 2 , a peak power density of 1.30 W cm −2 , an electrolysis current density of −1.36 A cm −2 at 1.3 V, and reasonable operating stabilities (∼200 h at 550°C).

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Prototyping the Light Detection of the DUNE Near Detector

The Deep Underground Neutrino Experiment (DUNE) is a long-baseline neutrino oscillation experiment with a 70kt liquid argon time projection chamber (LAr TPC) at the Far Detector complex at the Sanford Underground Research Facility (SURF) and a Near Detector (ND) complex planned for the Fermi National Accelerator Laboratory. The ND complex plans for three detector subsystems, including a modular LAr TPC comprised of 35 optically segregated modules. The modular detector design required the development a novel dielectric light readout, the ArCLight technology, which can be operated in a high voltage environment and has a large active surface. A demonstrator of four modular detectors, DUNE ND-LAr 2x2, will operate in 2023 in Fermilab's NuMI beam. After the construction of the modules was completed, they were successfully operated and commissioned in liquid argon using cosmic-ray muons at the University of Bern. This talk will discuss the designs of the light readout systems used in these modules with focus on the construction and commissioning of the ArCLights as well as the performance of the LRS during the tests at Bern.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1987

Laminar mixing in a small floating zone

The relationship between the flow and solute fields during steady mass transfer of a dilute component is analyzed for multi-cellular rotating flows in the floating zone process of semiconductor growth. When the recirculating flows are weak in relation to the rate of crystal growth, a closed-form solution clearly shows the link between the convection pattern in the melt and the solute distribution across the surface of the growing solid. In the limit of strong convection, finite element calculations demonstrate the tendency of the composition to become uniform over the majority of the melt. The solute segregation in the product crystal is greatest when the recirculating motion is comparable to the rate of crystal growth, and points to the danger in attempting to grow compositionally uniform materials from a nearly convectionless melt.

Harriott, George M.↗
DOE OSTI2020

Operando NRIXS and XAFS Investigation of Segregation Phenomena in Fe-Cu and Fe-Ag Nanoparticle Catalysts during CO 2 Electroreduction

Operando nuclear resonant inelastic X-ray scattering (NRIXS) and X-ray absorption fine-structure spectroscopy (XAFS) measurements were used to gain insight into the structure and surface composition of FeCu and FeAg nanoparticles (NPs) during the electrochemical CO 2 reduction (CO 2 RR) and to extract correlations with their catalytic activity and selectivity. The formation of a core–shell structure during CO 2 RR for FeAg NPs was inferred from the analysis of the operando NRIXS data (phonon density of states, PDOS) and XAFS measurements. Electrochemical analysis of the FeAg NPs revealed a faradaic selectivity of 36 % for CO in 0.1 M KHCO 3 at -1.1 V vs. RHE, similar to that of pure Ag NPs. In contrast, a predominant selectivity towards H 2 evolution is obtained in the case of the FeCu NPs, analogous to the results obtained for pure Fe NPs, although small Cu NPs have also been shown to favor H 2 production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Bimetallic-Derived Catalytic Structures for CO 2 -Assisted Ethane Activation

In recent years, the simultaneous upgrading of CO 2 and ethane has emerged as a promising approach for generating valuable gaseous (CO, H 2 , and ethylene) and liquid (aromatics and C 3 oxygenates) chemicals from the greenhouse gas CO 2 and large-reserved shale gas. The key challenges for controlling product selectivity lie in the selective C-H and C-C bond cleavage of ethane with the assistance of CO 2 . Bimetallic-derived catalysts likely undergo alloying or oxygen-induced segregation under reaction conditions, thus providing diverse types of interfacial sites, e.g., metal/support (M/M'O x ) interface and metal oxide/metal (M'O x /M) inverse interface, that are beneficial for selective CO 2 -assisted ethane upgrading. The alloying extent can be initially predicted by cohesive energy and atomic radius (or Wigner-Seitz radius), while the preference for segregation to form the on-top suboxide can be approximated using the work function, electronegativity, and binding strength of adsorbed oxygen. Furthermore, bimetallic-derived catalysts are typically supported on high surface area oxides. Modifying the reducibility and acidity/basicity of the oxide supports and introducing surface defects facilitate CO 2 activation and oxygen supplies for ethane activation. Using in situ synchrotron characterization and density functional theory (DFT) calculations, we found that the electronic properties of oxygen species influence the selective cleavage of C-H/C-C bonds in ethane, with electron-deficient oxygen over the metal (or alloy) surface promoting nonselective bond scission to produce syngas and electron-enriched oxygen over the metal oxide/metal interface enhancing selective C-H scission to yield ethylene. Here, we further demonstrate that the preferred structures of the catalyst surfaces, either alloy surfaces or metal oxide/metal inverse interfaces, can be controlled through the appropriate choice of metal combinations and their atomic ratios. Through a comprehensive comparison of experimental results and DFT calculations, the selectivity of C-C/C-H bond scission is correlated with the thermodynamically favorable bimetallic-derived structures (i.e., alloy surfaces or metal oxide/metal inverse interfaces) under reaction conditions over a wide range of bimetallic catalysts. These findings not only offer structural and mechanistic insights into bimetallic-derived catalysts but also provide design principles for selective catalysts for CO 2 -assisted activation of ethane and other light alkanes. This Account concludes by discussing challenges and opportunities in designing advanced bimetallic-derived catalysts, incorporating new reaction chemistries for other products, employing precise synthesis strategies for well-defined structures with optimized site densities, and leveraging time/spatial/energy-resolved in situ spectroscopy/scattering/microscopy techniques for comprehensive structural analysis. The research methodologies established here are helpful for the investigation of dynamic alloy and interfacial structures and should inspire more efforts toward the simultaneous upgrading of CO 2 and shale gas.

03 NATURAL GAS↗
DOE OSTI2015

Capture and evolution of planetesimals in circumjovian disks

We study the evolution of planetesimals in evolved gaseous disks that orbit a solar-mass star and harbor a Jupiter-mass planet at a{sub p}≈5 AU. The gas dynamics are modeled with a three-dimensional hydrodynamics code that employs nested grids and achieves a resolution of one Jupiter radius in the circumplanetary disk. The code models solids as individual particles. Planetesimals are subjected to gravitational forces by the star and the planet, a drag force by the gas, disruption via ram pressure, and mass loss through ablation. The mass evolution of solids is calculated self-consistently with their temperature, velocity, and position. We consider icy and icy/rocky bodies of radius 0.1–100 km, initially deployed on orbits around the star within a few Hill radii (R{sub H}) of the planet's orbit. Planetesimals are scattered inward, outward, and toward disk regions of radius r≫a{sub p}. Scattering can relocate significant amounts of solids, provided that regions |r−a{sub p}|∼3R{sub H} are replenished with planetesimals. Scattered bodies can be temporarily captured on planetocentric orbits. Ablation consumes nearly all solids at gas temperatures ≳220 K. Super-Keplerian rotation around and beyond the outer edge of the gas gap can segregate ≲0.1 km bodies, producing solid gap edges at size-dependent radial locations. Capture, break-up, and ablation of solids result in a dust-laden circumplanetary disk with low surface densities of kilometer sized planetesimals, implying relatively long timescales for satellite formation. After a giant planet acquires most of its mass, accretion of solids is unlikely to significantly alter its heavy element content. The luminosity generated by accretion of solids and the contraction luminosity can be of similar orders of magnitude.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Highly active subnanometer Rh clusters derived from Rh-doped SrTiO 3 for CO 2 reduction

Here, sub-nanometer Rh clusters derived from Rh-doped SrTiO 3 , demonstrated by in-situ X-ray Diffraction (XRD) and X-ray Absorption Fine Structure (XAFS) measurements, are applied as highly active catalysts for CO 2 reduction. Compared to the supported Rh/SrTiO 3 , the catalyst synthesized by a doping-segregation method exhibits a higher space-time yield (STY) to CO with a selectivity of 95% for CO 2 reduction by hydrogen; it also shows a higher activity with a larger turnover frequency (TOF) for CO 2 reduction by ethane. According to the in-situ diffuse reflectance infrared Fourier transformed spectroscopy (DRIFTS) experiments, the higher CO selectivity for CO 2 hydrogenation is attributed to the lower CO binding strength resulted by the strong interactions (e.g., charge transfer) between Rh atoms and the oxide support with surface defects. The superior activity is suggested to be originated from the cooperative effect between the highly dispersed sub-nanometer Rh clusters for efficient dissociation of H 2 /C 2 H 6 and the reconstructed SrTiO 3 with oxygen vacancies for preferential adsorption/activation of CO 2 . Finally, the doping-segregation method provides a unique opportunity to tune the size of active metal clusters and the physicochemical properties of the oxide support, offering the potential for applications in a variety of chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

M551 metals melting experiment

The Metals Melting Skylab Experiment consisted of selectively melting, in sequence, three rotating discs made of aluminum alloy, stainless steel, and tantalum alloy. For comparison, three other discs of the same three materials were similarly melted or welded on the ground. The power source of the melting was an electron beam unit. Results are presented which support the concept that the major difference between ground base and Skylab samples (i.e., large elongated grains in ground base samples versus nearly equiaxed and equal sized grains in Skylab samples) can be explained on the basis of constitutional supercooling, and not on the basis of surface phenomena. Microstructural observations on the weld samples and present explanations for some of these observations are examined. In particular, ripples and their implications to weld solidification were studied. Evidence of pronounced copper segregation in the Skylab A1 weld samples, and the tantalum samples studied, indicates a weld microhardness (and hence strength) that is uniformly higher than the ground base results, which is in agreement with previous predictions. Photographs are shown of the microstructure of the various alloys.

Li, C. H.↗
NASA NTRS1999

Design of Ceramic Springs for Use in Semiconductor Crystal Growth in Microgravity

Segregation studies can be done in microgravity to reduce buoyancy driven convection and investigate diffusion-controlled growth during the growth of semiconductor crystals. During these experiments, it is necessary to prevent free surface formation in order to avoid surface tension driven convection (Marangoni convection). Semiconductor materials such as gallium arsenide and germanium shrink upon melting, so a spring is necessary to reduce the volume of the growth chamber and prevent the formation of a free surface when the sample melts. A spring used in this application must be able to withstand both the high temperature and the processing atmosphere. During the growth of gallium arsenide crystals during the GTE Labs/USAF/NASA GaAs GAS Program and during the CWRU GaAs programs aboard the First and Second United States microgravity Laboratories, springs made of pyrolytic boron nitride (PBN) leaves were used. The mechanical properties of these PBN springs have been investigated and springs having spring constants ranging from 0.25 N/mm to 25 N/mm were measured. With this improved understanding comes the ability to design springs for more general applications, and guidelines are given for optimizing the design of PBN springs for crystal growth applications.

Kaforey, M. F.↗
DOE OSTI2016

Submarine deposits from pumiceous pyroclastic density currents traveling over water: An outstanding example from offshore Montserrat (IODP 340)

Pyroclastic density currents have been observed to both enter the sea, and to travel over water for tens of kilometers. Here, we identified a 1.2-m-thick, stratified pumice lapilli-ash cored at Site U1396 offshore Montserrat (Integrated Ocean Drilling Program [IODP] Expedition 340) as being the first deposit to provide evidence that it was formed by submarine deposition from pumice-rich pyroclastic density currents that traveled above the water surface. The age of the submarine deposit is ca. 4 Ma, and its magma source is similar to those for much younger Soufrière Hills deposits, indicating that the island experienced large-magnitude, sub-aerial caldera-forming explosive eruptions much earlier than recorded in land deposits. The deposit's combined sedimentological characteristics are incompatible with deposition from a submarine eruption, pyroclastic fall over water, or a submarine seafloor-hugging turbidity current derived from a subaerial pyroclastic density current that entered water at the shoreline. The stratified pumice lapilli-ash unit can be subdivided into at least three depositional units, with the lowermost one being clast supported. The unit contains grains in five separate size modes and has a >12 phi range. Particles are chiefly sub-rounded pumice clasts, lithic clasts, crystal fragments, and glass shards. Pumice clasts are very poorly segregated from other particle types, and lithic clasts occur throughout the deposit; fine particles are weakly density graded. We interpret the unit to record multiple closely spaced (< 2 d) hot pyroclastic density currents that flowed over the ocean, releasing pyroclasts onto the water surface, and settling of the various pyroclasts into the water column. Our settling and hot and cold flotation experiments show that waterlogging of pumice clasts at the water surface would have been immediate. The overall poor hydraulic sorting of the deposit resulted from mixing of particles from multiple pulses of vertical settling in the water column, attesting to complex sedimentation. Slow-settling particles were deposited on the seafloor together with faster-descending particles that were delivered at the water surface by subsequent pyroclastic flows. The final sediment pulses were eventually deflected upon their arrival on the seafloor and were deposited in laterally continuous facies. This study emphasizes the interaction between products of explosive volcanism and the ocean and discusses sedimentological complexities and hydrodynamics associated with particle delivery to water.

58 GEOSCIENCES↗
DOE OSTI2014

Effect of Ag addition to L1{sub 0} FePt and L1{sub 0} FePd films grown by molecular beam epitaxy

L1{sub 0} ordered FePt-Ag (5 nm) and FePd-Ag (5 nm) films were grown on MgO (001) substrate at temperatures of 250–400 °C by using molecular beam epitaxy method, and their crystal and surface structures, perpendicular magnetic anisotropies and Curie temperatures were investigated. In the case of FePt-Ag, Ag addition with the amount of 10–20 at. % was effective to promote L1{sub 0} ordering and granular growth, resulting in the increase of the perpendicular magnetic anisotropy and coercivity of the FePt-Ag films. On the other hand, in the case of FePd-Ag, Ag addition changed the surface morphology from island to continuous film associated with the reductions of its coercivity and perpendicular anisotropy. The variations of lattice constants and Curie temperature with Ag addition were significantly different between FePt-Ag and FePd-Ag. For FePd-Ag, the c and a axes lattice spacings and Curie temperature gradually changed with increasing Ag content, while they unchanged for FePt-Ag. These results suggest the possibility of the formation of FePdAg alloy in FePd-Ag, while Ag segregation in FePt-Ag.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Degradation of Fe-Mg silicates in hot CO2 atmospheres: Applications to Venus

Experiments demonstrated that oxidation of ferromagnesian silicates and magnetite occurs when these minerals are heated at 800 C in 1 atmosphere of CO2, under which conditions hematite is thermodynamically stable. The 30 ppm oxygen impurity in CO2 presumably facilitates the oxidation of some of the ferrous iron initially present in the crystal structures of the minerals. Mossbauer spectral measurements reveal, however, that only CO2 degraded olivine and pigeonite is hematite formed as a magnetically ordered phase at ambient temperatures. In orthopyroxene, some of the ferric iron produced by oxidation is present as nanophase hematite which, because it remains superparamagnetic until 4.2 K, must exist as particles less than or equal to 4 nm in diameter. In the calcic pyroxenes much of the oxidized ferrous iron may still remain as structural Fe3(+) in the host silicates. Some ferric iron may also be present as unit cell sized Fe2O3 inclusions in the pyroxenes, or be segregated along cleavage planes, or be coating mineral grains. In these states of aggregation, the Fe2O3 is unidentifiable by x ray diffraction and in low temperature Mossbauer spectra. Applications of this research to the surface of Venus are discussed.

Straub, Darcy W.↗
DOE OSTI2022

Electrical Analysis of Pulsed Laser Annealed Poly-Si:Ga/SiOx Passivating Contacts

High-efficiency single crystalline silicon (c-Si) solar cells require precise control of dopant diffusion profiles and highly active doping concentrations through thermal annealing. Conventional furnace annealing has been successfully employed for dopant diffusion in aluminum back-surface field (Al-BSF), passivated emitter and rear contact (PERC), and Topcon cells. However, furnace annealing limits some next-generation polycrystalline silicon (poly-Si) on SiOx passivating contacts. This limitation largely affects p-type passivating contacts by not being able to: 1) control the dopant diffusion accurately to prevent B segregation at the SiOx and c-Si interface; and 2) provide highly activated doping concentrations for low contact resistivity. In this contribution, we use a nanosecond excimer laser to examine the passivation quality and electrical performance of both B- and Ga-doped poly-Si/SiOx passivating contacts. The core of this method is to take advantage of the nonequilibrium nature of the anneal through rapid melting and recrystallizing the poly-Si in a short timescale and to achieve doping concentrations above the solid solubility limit. Simulations were performed on polished surfaces to visualize the doping diffusion profiles under different laser conditions, and secondary ion mass spectrometry (SIMS) was used to verify the experimental diffusion profiles post pulsed laser melting (PLM). The results show the dopant diffusion profiles can be tuned precisely through PLM. The electrical analysis using VdP-Hall measurements reveals that the active doping concentration reached 10^21 cm-3 for B and ~2×10^21 cm-3 for Ga in poly-Si, far exceeding their solid solubility limit in Si, with a nearly 100% dopant activation achieved for B, and 20% for Ga. This highly activated dopant profile results in a low contact resistivity of <15 mO·cm^2 for B-doped contacts and <40 mO·cm^2 for Ga-doped contacts. We demonstrate that the passivation quality of the laser annealed contacts shows a linear dependency with the laser energy density and the number of pulses. PLM was also performed on random pyramid textured samples, and we found that preferential melting exists for the tips of pyramids, which can be pursued further for selective pinhole opening. Additionally, we perform thermal stability tests of these hyperdoped passivating contacts and show that under certain laser conditions, the B-doped samples exhibit good thermal stability with near full activation for temperatures up to 800°C. Lastly, we transfer this technique to a larger area by overlapping laser spots and show uniform passivation quality and electrical performance. We are currently implementing this PLM annealed p-type passivating contacts into double-side back-junction poly-Si/SiOx passivating contact devices. Our results show that PLM can not only enable the next generation of high-efficiency c-Si photovoltaics technology but can also benefit the c-Si integrated circuit industry through hyperdoping other semiconductors with atoms that may otherwise have a low solubility.

doping diffusion profile↗
NASA NTRS1986

Presence, segregation and reactivity of H, C and N dissolved in some refractory oxides

The sources of impurities, particularly carbon, in high melting oxides and silicates are discussed, along with detection and quantification methods. The impurities are important for their effects on bulk material properties through the media of, e.g., surface or grain boundary characteristics. The impurities are usually encountered by the contact of the oxide (refractory) material with volatiles such as H2O and CO2, which become incorporated in the material and form anion complexes with oxygen acting as a covalent bonded ligand. The specific processes undergone by MgO in assimilating C impurities are delineated, using data obtained with X-ray photoelectron spectroscopy, Auger electron spectroscopy, secondary ion mass spectrometry and nuclear reaction profiling. Finally, maintenance of a supersaturated solid solution with C impurities by space charge control is described as a means of offset impurity effects.

Freund, F.↗
DOE OSTI2018

Oxide Morphology of C26M at 300 - 600 °C

Iron-chromium-aluminum (FeCrAl) alloys are of interest to the nuclear materials community due to their resistance to high temperature steam oxidation under accident conditions. The present work investigates oxide formation at temperatures relevant to light water reactor cladding operation following extended aging to assess growth kinetics, chemical composition, and microstructure of oxide formation on an Oak Ridge National Laboratory developed Fe-12Cr-6Al- 2Mo-0.2Si-0.03Y alloy (designated ‘C26M’). Aging treatments were performed for 100-2000 hours in stagnant air at 300, 400, 500, and 600 °C, respectively. Oxide growth behavior under the investigated conditions follows a logarithmic time dependence. When the oxidization temperature is 400 °C or below, the oxide is amorphous. At 500 °C, crystalline α-Al 2 O 3 oxide film develops and the correlated logarithmic rate constant decreases significantly, indicating enhanced oxidation resistance of the formed oxide film. In addition, Mo segregation at grain boundaries has been observed when the aging temperature exceeds 500 °C. The results of this study can be viewed as an upper bounding result for potential oxide coarsening on the cladding inner surface during reactor operation.

36 MATERIALS SCIENCE↗