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At least 1,567 records · Page 87

Description of the containerless melting of glass in low gravity

A brief description is given of a single-axis, acoustic levitator/furnace apparatus used to position, heat, melt, and quench multicomponent oxide, glass-forming compositions in low gravity. This apparatus is capable of processing eight approximately spherical samples (about 6 mm diameter) at temperatures up to 1550 C in a dry air atmosphere. Results are also presented for a containerless melting experiment conducted on SPAR VI where a ternary CaO-Ga2O3-SiO2 composition was levitated and quenched to a glass. Selected properties of the glass prepared on SPAR VI are compared with the properties of glass samples of identical composition prepared on earth.

Ray, C. S.↗

rHealth One Demonstration Aboard ISS: A Microfluidic Bioanalyzer Based on Sheath/Hydrodynamic Focusing Flow Cytometry

The Exploration Medical Capability (ExMC) element aims to provide astronauts with the means for their own health monitoring, diagnosis, and treatment during exploration missions. As space flight ventures further from earth, the need for autonomous medical care increases under greater constraints on size, mass, and resources. One pillar for diagnosis that crew would be separated from is laboratory analysis. Even now on ISS, blood samples must be collected and returned to earth for testing. In response, ExMC is assessing how assays for hematology, bone health, radiation exposure etc. could be addressed through commercial-off-the-shelf (COTS) and Small Business Innovation Research (SBIR) funded bioanalyzers that are miniaturizing lab technology. Since missions will reach distances where there are no timely replacements, validation on the International Space Station (ISS) is a necessary part of that assessment. In partnership with NASA Johnson Space Center (JSC) Immunology Lab and the Research Operations and Integration (ROI) element, ExMC conducted a technology demonstration on ISS of the rHEALTH ONE, a flow cytometry based bioanalyzer, to assess future devices based on this design. In flow cytometry, there are predominantly three ways to focus the cells (or particles) into a single file stream: hydrodynamic focusing, microcapillary, and acoustic focusing. The rHEALTH ONE utilizes the commercial standard, sheath-based hydrodynamic focusing. rHEALTH itself represents both a company and a suite of medical tools NASA has funded through SBIR grants towards the development of a promising diagnosis instrument for exploration missions. rHEALTH ONE is the interim version of the technology, functional as a benchtop analyzer and test bed for the next generation of rHEALTH in development. Several modifications were made to the rHEALTH ONE analyzer for operation in microgravity. For function, fluid management was key. A sheath-based analyzer uses sheath fluid to flow the sample, cleaning fluid to prevent biological contamination, and a reservoir to collect the liquid waste. The rHEALTH ONE analyzer uses bottles dependent on gravity to separate the air and liquid pathways and keep the liquids contained. It uses only 1 psig of air pressure to directly push the liquid through the device, requiring little-to-no resistance at inlet and outlet. A microtubing assembly with self-sealing luer connectors was designed – featuring 0.014 mm thick durable medical balloons to hold water inside the supply bottles – to create safe containment and easy access for the crew while maintaining the analyzer’s function. For safety, copper tape was added to the interior of the plastic housing to reduce electromagnetic interference, fluid and electrical connections were secured against vibration and leaks, and gaps were further sealed to ensure containment of the optical block and lasers. Water as the sheath and cleaning fluid and TOX 0 samples were used to reduce the biohazard risk to the crew. In May 2022, European Space Agency astronaut Samantha Cristoforetti demonstrated the rHEALTH ONE aboard ISS for its sample loading, flow cytometry, and data collection capability in microgravity. The JSC Immunology Lab provided flow cytometry expertise, designed the sample test protocol, and manufactured and benchmarked the flight samples on a ‘gold-standard’ flow cytometer. The analyzer was primed with water, purged of air, and four calibration solutions of polystyrene microparticles were tested to characterize its performance. Tightly controlled procedures and excellent execution prevented air bubble interference during air/water separation, fluid transfer, sample mixing and loading. Data showed a slight increase in signal noise on 3 of 5 channels and an anomaly of fluorophores migrating in one sample (confirmed by JSC post-flight). Flight results correctly detected the change in sample, matched the analyzer’s ground performance, and were consistent with the gold-standard’s ground results. Although areas were noted for improvement, these outcomes signified complete mission success.

R. S. Miller↗

Characterisation of Ga-coated and Ga-brazed aluminium

This work is devoted to the brazing of aluminium using liquid gallium. Gallium was deposited on aluminium samples at {approx} 50 Degree-Sign C using a liquid gallium 'polishing' technique. Brazing was undertaken for 30 min at 500 Degree-Sign C in air. EDS (Energy Dispersive X-ray Spectroscopy) and AES (Auger Electron Spectroscopy) characterisation of Ga-coated samples has shown that the Ga surface layer thickness is of ten (or a few tens of) nanometres. Furthermore, aluminium oxide layer (Al{sub 2}O{sub 3}) was shown to be 'descaled' during Ga deposition, which ensures good conditions for further brazing. Cross-section examination of Ga-coated samples shows that liquid gallium penetrates into the aluminium grain boundaries during deposition. The thickness of the grain boundary gallium film was measured using an original EDS technique and is found to be of a few tens of nanometres. The depth of gallium grain boundary penetration is about 300 {mu}m at the deposition temperature. The fracture stress of the brazed joints was measured from tensile tests and was determined to be 33 MPa. Cross-section examination of brazed joints shows that gallium has fully dissolved into the bulk and that the joint is really autogenous. - Highlights: Black-Right-Pointing-Pointer Aluminium can be brazed using liquid gallium deposited by a 'polishing' technique. Black-Right-Pointing-Pointer The aluminium oxide layer is 'descaled' during liquid Ga 'polishing' deposition. Black-Right-Pointing-Pointer EDS can be used for determination of surface and grain boundary Ga film thickness. Black-Right-Pointing-Pointer The surface and grain boundary Ga film thickness is of a few tens of nm. Black-Right-Pointing-Pointer Surface and grain boundary gallium dissolves in the bulk during brazing.

36 MATERIALS SCIENCE↗

SU-F-T-49: Dosimetry Parameters and TPS Commissioning for the CivaSheet Directional Pd-103 Brachytherapy Source

Purpose: The CivaSheet is a new LDR Pd-103 brachytherapy device offering directional-radiation for preferentially irradiating malignancies with healthy-tissue sparing. Observations are presented on dosimetric characterization, TPS commissioning, and evaluation of the dosesuperposition- principle for summing individual elements comprising a planar CivaSheet Methods: The CivaSheet comprises individual sources (CivaDots, 0.05cm thick and 0.25cm diam.) inside a flexible bioabsorbable substrate with a 0.8cm center-to-center rectangular array. All non-radioactive components were measured to ensure accuracy of manufacturer-provided dimensional information. The Pd spatial distribution was gleaned from radioactive and inert samples, then modeled with the MCNP6 radiation-transport-code. A 6×6 array CivaSheet was modeled to evaluate the dose superposition principle for treatment planning. Air-kerma-strength was estimated using the NIST WAFAC geometry. Absorbed dose was estimated in water with polar sampling covering 0.05≤r≤15cm in 0.05cm increments and 0°≤θ≤180° in 1° increments. These data were entered into VariSeed9.0 and tested for the dose-superposition-principle. Results: The dose-rate-constant was 0.579 cGy/h/U with g(r) determined along the rotational-axis of symmetry (0°) instead of 90°. gP(r) values at 0.1, 0.5, 2, 5, and 10cm were 1.884, 1.344, 0.558, 0.088, and 0.0046. F(r,θ) decreased between 0° and 180° by factors of 270, 23, and 5.1 at 0.1, 1, and 10cm. The highest dose-gradient was at 92°, changing by a factor of 3 within 1° due to Au-foil shielding. TPS commissioning from 0.1≤r≤11cm and 0°≤θ≤180° demonstrated 2% reproducibility of input data except at the high-dose-gradient where interpolations caused 3% differences. Dose superposition of CivaDots replicated a multi-source CivaSheet array within 2% except where another CivaDot was present. Following implantation, the device is not perfectly planar. TPS accuracy utilizing the dose-superposition-principle through geometric repositioning of CivaDots supersedes TPS limitations of intersource shielding effects Conclusion: Dosimetric characterization, source commissioning, and evaluation of the dose-superposition-principle with VariSeed9.0 permits treatment planning for the CivaSheet brachytherapy device. Research supported in part by CivaTech Oncology, Inc.

60 APPLIED LIFE SCIENCES↗

Calibration of NASA Turbulent Air Motion Measurement System

A turbulent air motion measurement system (TAMMS) was integrated onboard the Lockheed 188 Electra airplane (designated NASA 429) based at the Wallops Flight Facility in support of the NASA role in global tropospheric research. The system provides air motion and turbulence measurements from an airborne platform which is capable of sampling tropospheric and planetary boundary-layer conditions. TAMMS consists of a gust probe with free-rotating vanes mounted on a 3.7-m epoxy-graphite composite nose boom, a high-resolution inertial navigation system (INS), and data acquisition system. A variation of the tower flyby method augmented with radar tracking was implemented for the calibration of static pressure position error and air temperature probe. Additional flight calibration maneuvers were performed remote from the tower in homogeneous atmospheric conditions. System hardware and instrumentation are described and the calibration procedures discussed. Calibration and flight results are presented to illustrate the overall ability of the system to determine the three-component ambient wind fields during straight and level flight conditions.

Barrick, John D. W.↗

Forced Flow Flame Spreading Test: Preliminary Findings From the USMP-3 Shuttle Mission

The Forced Flow Flame spreading Test (FFFT) is a study of flame spreading over solid fuels in very low-speed air flows. The FFFT experiment is part of research entitled Solid Inflammability Boundary at Low Speeds, (SIBAL) intended for operations on the Space Station. In the FFFT experiment, a series of 15 experiments conducted aboard the space shuttle during the United States Microgravity Payload (USMP-3) mission provided information about the structure and spreading characteristics of flames in low-speed, concurrent flows. The test samples included flat sheets of cellulose and cast cylinders of cellulose, burned in air at velocities of approximately 1 to 8 cm/sec. The test results have been successfully compared to theoretical predictions of the SIBAL program, a fundamentally based numerical simulation of concurrent flow flame spread. Additionally, some guidance for the design characteristics of the SIBAL flight experiment have been obtained including some verification of the theoretical predictions of flame size versus the required size of the SIBAL flow duct, and the effect of the presence of thermocouples in the vicinity of near-limit flames in microgravity.

Sacksteder, Kurt R.↗

Effect of Atmosphere on Collinear Double-Pulse Laser-Induced Breakdown Spectroscopy

Double pulse laser induced breakdown spectroscopy (DP-LIBS) has been shown to enhance LIBS spectra. Several researches have reported significant increases in signal-to-noise and or spectral intensity. In addition to DP-LIBS, atmospheric conditions can also increase spectra intensity. For example, He and Ar both increase LIBS intensity compared to air at one 1 atm. It was also found that as the pressure was decreased to 100 Torr, LIBS intensity increased in Ar and air for single pulse (SP) LIBS. In this study, a collinear DP-LIBS scheme is used along with manipulation of the atmospheric conditions. The DP-LIBS scheme consists of a 355 nm ablative pulse fired into a sample contained in a vacuum chamber. A second analytical 1064 nm pulse is then fired 100 ns to 10 {micro}s after and along the same path of the first pulse. Ar, He and air at pressures ranging from atmospheric pressure (630 Torr at elevation) to 10{sup -5} Torr are introduced during DP-LIBS and SP-LIBS experiments. For a brass sample, a significant increase in spectral intensity of Cu and Zn lines were observed in DP-LIBS under Ar compared to DP-LIBS in air. It was also found that Cu and Zn lines acquired with SP-LIBS in Ar are nearly as intense as DP-LIBS in air. Signal-to-noise for lines from various samples will be reported for both DP-LIBS and SP-LIBS in Ar, He, and air at pressures ranging from 630 Torr to 10{sup -5} Torr.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

COMPARISON OF VENTED AND ABSOLUTE PRESSURE TRANSDUCERS FOR WATER-LEVEL MONITORING IN HANFORD SITE CENTRAL PLATEAU WELLS

Automated water-level data collected using vented pressure transducers deployed in Hanford Site Central Plateau wells commonly display more variability than manual tape measurements in response to barometric pressure fluctuations. To explain this difference, it was hypothesized that vented pressure transducers installed in some wells are subject to barometric pressure effects that reduce water-level measurement accuracy. Vented pressure transducers use a vent tube, which is open to the atmosphere at land surface, to supply air pressure to the transducer housing for barometric compensation so the transducer measurements will represent only the water pressure. When using vented transducers, the assumption is made that the air pressure between land surface and the well bore is in equilibrium. By comparison, absolute pressure transducers directly measure the air pressure within the wellbore. Barometric compensation is achieved by subtracting the well bore air pressure measurement from the total pressure measured by a second transducer submerged in the water. Thus, no assumption of air pressure equilibrium is needed. In this study, water-level measurements were collected from the same Central Plateau wells using both vented and absolute pressure transducers to evaluate the different methods of barometric compensation. Manual tape measurements were also collected to evaluate the transducers. Measurements collected during this study demonstrated that the vented pressure transducers over-responded to barometric pressure fluctuations due to a pressure disequilibrium between the air within the wellbores and the atmosphere at land surface. The disequilibrium is thought to be caused by the relatively long time required for barometric pressure changes to equilibrate between land surface and the deep vadose zone and may be exacerbated by the restriction of air flow between the well bore and the atmosphere due to the presence of sample pump landing plates and well caps. The disequilibrium is likely limited to wells screened across the water table (i.e., open to the deep vadose zone) where the depth to water is large or a low-permeability layer occurs in the vadose zone. Such wells are a pathway for air movement between the deep vadose zone and land surface and this sustains the pressure disequilibrium between the well bore and the atmosphere for longer time periods. Barometric over-response was not observed with the absolute pressure transducers because barometric compensation was achieved by directly measuring the air pressure within the well. Users of vented pressure transducers should be aware of the over-response issue in certain Hanford Site wells and ascertain if it will affect the use of the data. Pressure disequilibrium between the well and the atmosphere can be identified by substantial air movement through the wellbore. In wells exhibiting pressure disequilibrium, it is recommended that absolute pressure transducers be used rather than vented transducers for applications that require precise automated determinations of well water-level changes in response to barometric pressure fluctuations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

MULTI-SCALE MODELING AND APPROXIMATION ASSISTED OPTIMIZATION OF BARE TUBE HEAT EXCHANGERS

Air-to-refrigerant heat exchangers are very common in air-conditioning, heat pump and refrigeration applications. In these heat exchangers, there is a great benefit in terms of size, weight, refrigerant charge and heat transfer coefficient, by moving from conventional channel sizes (~ 9mm) to smaller channel sizes (< 5mm). This work investigates new designs for air-to-refrigerant heat exchangers with tube outer diameter ranging from 0.5 to 2.0mm. The goal of this research is to develop and optimize the design of these heat exchangers and compare their performance with existing state of the art designs. The air-side performance of various tube bundle configurations are analyzed using a Parallel Parameterized CFD (PPCFD) technique. PPCFD allows for fast-parametric CFD analyses of various geometries with topology change. Approximation techniques drastically reduce the number of CFD evaluations required during optimization. Maximum Entropy Design method is used for sampling and Kriging method is used for metamodeling. Metamodels are developed for the air-side heat transfer coefficients and pressure drop as a function of tube-bundle dimensions and air velocity. The metamodels are then integrated with an air-to-refrigerant heat exchanger design code. This integration allows a multi-scale analysis of air-side performance heat exchangers including air-to-refrigerant heat transfer and phase change. Overall optimization is carried out using a multi-objective genetic algorithm. The optimal designs found can exhibit 50 percent size reduction, 75 percent decrease in air side pressure drop and doubled air heat transfer coefficients compared to a high performance compact micro channel heat exchanger with same capacity and flow rates.

CFD↗

Subtask 4.27 - Evaluation of the Multielement Sorbent Trap (MEST) Method at an Illinois Coal-Fired Plant

Owners of fossil fuel-fired power plants face the challenge of measuring stack emissions of trace metals and acid gases at much lower levels than in the past as a result of increasingly stringent regulations. In the United States, the current reference methods for trace metals and halogens are wet-chemistry methods, U.S. Environmental Protection Agency (EPA) Methods 29 and 26 or 26A, respectively. As a possible alternative to the EPA methods, the Energy & Environmental Research Center (EERC) has developed a novel multielement sorbent trap (MEST) method to be used to sample for trace elements and/or halogens. Sorbent traps offer a potentially advantageous alternative to the existing sampling methods, as they are simpler to use and do not require expensive, breakable glassware or handling and shipping of hazardous reagents. Field tests comparing two sorbent trap applications (MEST-H for hydrochloric acid and MEST-M for trace metals) with the reference methods were conducted at two power plant units fueled by Illinois Basin bituminous coal. For hydrochloric acid, MEST measured concentrations comparable to EPA Method 26A at two power plant units, one with and one without a wet flue gas desulfurization scrubber. MEST-H provided lower detection limits for hydrochloric acid than the reference method. Results from a dry stack unit had better comparability between methods than results from a wet stack unit. This result was attributed to the very low emissions in the latter unit, as well as the difficulty of sampling in a saturated flue gas. Based on these results, the MEST-H sorbent traps appear to be a good candidate to serve as an alternative to Method 26A (or 26). For metals, the MEST trap gave lower detection limits compared to EPA Method 29 and produced comparable data for antimony, arsenic, beryllium, cobalt, manganese, selenium, and mercury for most test runs. However, the sorbent material produced elevated blanks for cadmium, nickel, lead, and chromium at levels that would interfere with accurate measurement at U.S. hazardous air pollutant emission limits for existing coal-fired power plant units. Longer sampling times employed during this test program did appear to improve comparative results for these metals. Although the sorbent contribution to the sample was reduced through improved trap design, additional research is still needed to explore lower-background materials before the MEST-M application can be considered as a potential alternative method for all of the trace metals. This subtask was funded through the EERC–U.S. Department of Energy Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FC26-08NT43291. Nonfederal funding was provided by the Electric Power Research Institute, the Illinois Clean Coal Institute, Southern Illinois Power Company, and the Center for Air Toxic Metals Affiliates Program.

Pavlish, John↗

Oak Ridge Reservation Annual Site Environmental Report for 2010

The Oak Ridge Reservation Annual Site Environmental Report is prepared annually and presents summary environmental data to (1) characterize environmental performance, (2) summarize environmental occurrences reported during the year, (3) confirm compliance with environmental standards and requirements, and (4) highlight significant program activities. The report fulfills the requirement contained in DOE Order 231.1A, Environment, Safety and Health Reporting (DOE 2004) that an integrated annual site environmental report be prepared. The results summarized in this report are based on data collected prior to and through 2010. This report is not intended to nor does it present the results of all environmental monitoring associated with the ORR. Data collected for other site and regulatory purposes, such as environmental restoration/remedial investigation reports, waste management characterization sampling data, and environmental permit compliance data, are presented in other documents that have been prepared in accordance with applicable DOE guidance and/or laws and are referenced herein as appropriate. Appendix A to this report identifies corrections to the 2009 report. Appendix B contains a glossary of technical terms that may be useful for understanding the terminology used in this document. Environmental monitoring on the ORR consists primarily of two major activities: effluent monitoring and environmental surveillance. Effluent monitoring involves the collection and analysis of samples or measurements of liquid and gaseous effluents at the points of release to the environment; these measurements allow the quantification and official reporting of contaminant levels, assessment of radiation and chemical exposures to the public, and demonstration of compliance with applicable standards and permit requirements. Environmental surveillance consists of direct measurements and collection and analysis of samples taken from the site and its environs exclusive of effluents; these activities provide information on contaminant concentrations in air, water, groundwater, soil, foods, biota, and other media. Environmental surveillance data support determinations regarding environmental compliance and, when combined with data from effluent monitoring, support chemical and radiation dose and exposure assessments of the potential effects of ORR operations, if any, on the local environment.

54 ENVIRONMENTAL SCIENCES↗

Mechanical Consequences of Oxygen Inhibition in Vat Polymerization

Vat polymerization is a type of additive manufacturing that is used extensively to produce micro-architected structures for mechanical applications, which brings the mechanical properties of photopolymerized resins into sharp focus. However, it is known that photopolymerization is sensitive to a number of factors, perhaps the most notorious of which is oxygen inhibition. Herein, the degree to which oxygen inhibition influences the macroscopic and microscopic properties of structures made using vat polymerization is explored. This work is motivated by an observation of lattices being >4 times softer in the experiment than predicted by simulation, which is hypothesized to be due to the material at the surface being incompletely cured. Furthermore, this hypothesis is supported by four-point bending tests in which flexural modulus is found to increase with beam thickness. Nanoindentation and bulk compression studies show that this surface softening is present for three distinct resins. Importantly, it is observed that structures post-print cured in nitrogen are stiffer than those post-print cured in air, however, regardless of the post-print curing environment, printing samples in the presence of oxygen makes them softer than samples photocured in nitrogen. Collectively, these results show the outsized influence of oxygen inhibition on micro-architected structures realized using vat polymerization.

36 MATERIALS SCIENCE↗

Investigation of Compatibility Between M-Cr-Al-X Thermal Spray Coatings and Third Generation γ-TiAl Alloys

In this work, the physical and chemical compatibility of cast Ti-Al-Nb-Cr-Zr and Ti-Al-Nb-Cr-Zr-B-La alloys was investigated with oxidation-resistant M-Cr-Al-X thermal spray coatings. Ti and Al are main alloy elements to form γ-TiAl and α{sub 2}-Ti{sub 3}Al phases. To obtain coatings, we used air plasma spray and high-velocity oxygen fuel equipment. Four commercially available M-Cr-Al-X powders, including Ta-containing, were used as starting materials. Our investigation of compatibility between M-Cr-Al-X thermal spray coatings and γ-TiAl alloys consists of isothermal annealing in air muffle furnace during 100 h at 920 °C, followed by samples investigation. Oxidation products formed at coatings surface were studied by XRD analysis with Rietveld refinement. Interdiffusion between coatings and alloys was studied by means of cross-sectional SEM with EDX analysis. Plots were made to show concentration of each main element at the end of experiments. Samples were subjected to dynamic mechanical thermal analysis in order to determine the effect of high-temperature exposure on complex elastic modulus. Finally, burner rig cycling test was performed to estimate the thermal shock resistance of M-Cr-Al-X coatings.

36 MATERIALS SCIENCE↗

Palladium/Zeolite Low Temperature Passive NOx Adsorbers (PNA): Structure-Adsorption Property Relationships for Hydrothermally Aged PNA Materials

Zeolites with different framework structures (SSZ-13, ZSM-5, BEA) but similar Si/Al ratios and Pd loading (~1 wr%) were synthesized and evaluated as low temperature passive NOx adsorbers (PNA). These materials exhibit high NOx adsorption efficiency with atomically dispersed Pd the active adsorption site. Hydrothermal aging at 750 ºC for 16 hours in the presence of 10% water vapor in air resulted in the formation of PdO nanoparticles in all three samples as evidenced by high energy XRD. Hydrothermal aging of the small-pore Pd/SSZ-13 (Si/Al = 6), which contain ~100-90% atomically dispersed palladium ions, decreases its PNA performance only by ~10-20%. High-field solid state 27Al NMR studies on the fresh and aged samples substantiate dealumination and significant changes in the distribution of Al (and thus, Bronsted acid) sites after hydrothermal aging. FTIR measurements with NO probe molecule and titration of Bronsted acid sites with nitrosyl (NO+) ions further corroborate the 27Al NMR data. Because framework aluminum atoms are the anchoring sites for atomically dispersed Pd ions, their elution from the framework causes the loss of active atomically dispersed Pd species. Furthermore, with the aid of HAADF-STEM imaging and synchrotron XRD studies, we further confirm and visualize the fate of these Pd species – they agglomerate into PdO nanoparticles on the external surface of zeolite. Consequently, these changes lead to the decrease in PNA performance of these materials after hydrothermal aging. The thus formed agglomerates cannot be re-dispersed back to their ionic state due to the loss of framework Al T-sites and/or inherent stability of such large PdO particles. Our study clearly demonstrates that, unlike in previous studies that found increased PNA performance upon HTA , high temperatures hydrothermal aging of PNA materials that contain atomically dispersed Pd initially, results in a decrease in NOx storage efficiency due mostly to the formation of PdO agglomerates. However, we also highlight the high hydrothermal stability of predominantly atomically dispersed 1-3 wt% Pd/SSZ-13 (Si/Al = 6), whose performance decreases only marginally after prolonged hydrothermal aging at 750 ºC. Overall, this study shows that hydrothermally stable passive NOx materials can be prepared using small-pore SSZ-13 zeolite.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pore-scale capillary pressure analysis using multi-scale X-ray micromotography

Here, a multi-scale synchrotron-based X-ray microtomographic dataset of residually trapped air after gravity-driven brine imbibition was acquired for three samples with differing pore topologies and morphologies; image volumes were reconstructed with voxel sizes from 4.44 µm down to 0.64 µm. Capillary pressure distributions among the population of trapped ganglia were investigated by calculating interfacial curvature in order to assess the potential for remobilization of residually-trapped non-wetting ganglia due to differences in capillary pressure presented by neighbor ganglia. For each sample, sintered glass beads, Boise sandstone and Fontainebleau sandstone, sub-volumes with different voxel sizes were analyzed to quantify air/brine interfaces and interfacial curvatures and investigate the effect of image resolution on both fluid phase identification and curvature estimates. Results show that the method developed for interfacial curvature estimation leads to reliable capillary pressure estimates for gas ganglia. Higher resolution images increase confidence in curvature calculations, especially for the sandstone samples that display smaller gas-brine interfaces which are then represented by a higher number of voxels when imaged with a micron or sub-micron voxels size. The analysis of sub-volumes from the Boise and Fontainebleau dataset highlights the presence of a residually-trapped gas phase consisting of ganglia located in one or few pores and presenting significantly different capillary pressures, especially in the case of Fontainebleau sandstone. As a result, Ostwald ripening could occur, leading to gas transfer from ganglia with higher capillary pressure to surrounding ganglia with lower capillary pressures. More generally, at the pore-scale, most gas ganglia do present similar capillary pressures and Ostwald ripening would then not represent a major mechanism for residually-trapped gas transfer and remobilization.

54 ENVIRONMENTAL SCIENCES↗

Long term oxidation of NiCoCrAlY coated Ni-based superalloys: A comparison of observed and simulated interdiffusion

Lifetimes of MCrAlY-type coatings can easily surpass 25 kh when the criteria of ß-depletion is used. To reduce experimental effort, it’s necessary to develop models capable of simulating interdiffusion and oxidation. In the present study, NiCoCrAlY coatings were high velocity oxyfuel deposited on PWA 1483, MARM247, and CMSX-4 substrates, and samples were exposed at 900 °C for 5–20 kh in air+10 vol%H 2 O to study interdiffusion rates. Here, Thermo-Calc/DICTRA was used to reproduce the observed differences, and microstructures were compared. Based on the agreement between calculated and observed rates, simulations were projected past the experimental exposures, utilizing ß-depletion as lifetime criteria.

36 MATERIALS SCIENCE↗

Characterization data of an (AlFeNiTiVZr) 1-x Cr x multi-principal element alloy continuous composition spread library

The data provided in this article is related to the research article entitled “Phase stabilization and oxidation of a continuous composition spread multi-principal element (AlFeNiTiVZr) 1-x Cr x alloy”. This data article describes the high-throughput synthesis and characterization processes of an (AlFeNiTiVZr) 1-x Cr x alloy system. Continuous composition spread (CCS) thin-film libraries were synthesized by co-depositing an AlFeNiTiVZr metal alloy target and Cr target via magnetron sputtering. Post-processing was performed on the sample libraries with a vacuum anneal at 873 K and an air anneal at 873 K. Compositional data was determined via WDS in order to verify parameters provided by an in-house sputter model. Crystallographic data was captured via synchrotron diffraction and diffractograms were compared as a function of the change in Cr concentration. These measurements were taken in order to observe phase behavior after oxidation throughout the composition library. Furthermore, vibrational spectrographic data is provided of the oxidized library to show surface speciation along the composition gradient of the alloy system. The structural and oxidative behavior of the (AlFeNiTiVZr) 1-x Cr x alloy can be analysed using the data provided in this article. Additionally, this characterization dataset can be utilized in machine learning algorithms for determining important features and parameters for future hypothesis generation of functional multi-principal element alloys (MPEAs).

36 MATERIALS SCIENCE↗

Point defects in hexagonal BN, BC{sub 3} and BC{sub x}N compounds studied by x-ray absorption near-edge structure

The generation of point defects in highly oriented pyrolytic boron nitride (HOPBN) after Ar{sup +} ion bombardment in ultrahigh vacuum and subsequent exposure to air was studied by angle-resolved x-ray absorption near edge structure (XANES). The pristine HOPBN showed well-oriented boron nitride (BN) basal planes parallel to the surface, with a negligible amount of defects. Amorphization of the BN structure took place after Ar{sup +} sputtering, as indicated by the broadening of the XANES spectra and significant decrease of the characteristic {pi}* states. Following air exposure, the XANES analysis revealed a spontaneous reorganization of the sample structure. The appearance of four new B1s {pi}* excitonic peaks indicates an oxygen decoration process of the nitrogen vacancies created by ion bombardment. A core-level shift model is presented to support this statement. This model is successfully extended to the case of oxygen substitutional defects in hexagonal BC{sub 3} and BC{sub x}N (0 < x < 4) materials, which can be applied to any B-based sp{sup 2}-bonded honeycomb structure.

36 MATERIALS SCIENCE↗