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DOE OSTI2020

UO 2 + 5 vol% ZrB 2 nano composite nuclear fuels with full boron retention and enhanced oxidation resistance

The boron isotope ( 10 B) can be used as a neutron absorber in UO 2 to control the reactivity of nuclear fuel pellets, however, the boron source can react with oxygen source in UO 2 to form B 2 O 3 that vaporize readily at temperatures above 1200 °C. Unfortunately, the sintering of UO 2 fuel requires hours holding at high temperature (>1700 °C), resulting in an inevitable B loss during sintering and unpredictable B concentration in final product. It is challenging to incorporate boron through a conventional sintering method. In this work, we demonstrated that spark plasma sintering (SPS), a field assisted sintering technology, can effectively densify UO 2 + 5 vol% ZrB 2 composite fuel pellets by rapid consolidation at 1600 °C for a short duration of 5 min under an applied pressure of 40 MPa. Further, thermogravimetric analysis (TGA) measurements confirm that ZrB 2 is fully retained inside the composite fuel pellets. Inside the composite fuel pellets, nano sized ZrB 2 particles are uniformly distributed along the grain boundaries of the UO 2 matrix. The ZrB 2 particle transforms to a glassy B 2 O 3 phase covering the sample surface and grain boundaries of UO 2 matrix after a simple post-sintering annealing at 1000 °C in flowing Argon gas for 4 h. The formed glassy B 2 O 3 slows down the diffusion of oxygen ions and postpones the onset temperature for oxidation of UO 2 from 400 °C to 550 °C. This study demonstrates the capability of SPS, an advanced fuel manufacturing technique, to achieve a full retention of ZrB 2 in UO 2 oxide fuel and increase oxidation resistance through a simple post-sintering annealing. The reported work holds great engineering potential for development of advanced oxide fuel for nuclear application.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Coupled Interfacial and Bulk Kinetics Govern the Timescales of Multiphase Ozonolysis Reactions

Chemical transformations in aerosols impact the lifetime of particle phase species, the fate of atmospheric pollutants, and both climate- and health-relevant aerosol properties. Timescales for multiphase reactions of ozone in atmospheric aqueous phases are governed by coupled kinetic processes between the gas phase, the particle interface, and its bulk, which respond dynamically to reactive consumption of O 3 . However, models of atmospheric aerosol reactivity often do not account for the coupled nature of multiphase processes. Herein, to examine these dynamics, we use new and prior experimental observations of aqueous droplet reaction kinetics, including three systems with a range of surface affinities and ozonolysis rate coefficients ( trans -aconitic acid (C 6 H 6 O 6 ), maleic acid (C 4 H 4 O 4 ), and sodium nitrite (NaNO 2 )). Using literature rate coefficients and thermodynamic properties, we constrain a simple two-compartment stochastic kinetic model which resolves the interface from the particle bulk and represents O 3 partitioning, diffusion, and reaction as a coupled kinetic system. Our kinetic model accurately predicts decay kinetics across all three systems, demonstrating that both the thermodynamic properties of O 3 and the coupled kinetic and diffusion processes are key to making accurate predictions. An enhanced concentration of adsorbed O 3 , compared to gas and bulk phases is rapidly maintained and remains constant even as O 3 is consumed by reaction. Multiphase systems dynamically seek to achieve equilibrium in response to reactive O 3 loss, but this is hampered at solute concentrations relevant to aqueous aerosol by the rate of O 3 arrival in the bulk by diffusion. As a result, bulk-phase O 3 becomes depleted from its Henry's law solubility. This bulk-phase O 3 depletion limits reaction timescales for relatively slow-reacting organic solutes with low interfacial affinity (i.e., trans-aconitic and maleic acids, with k rxn ≈ 10 3 -10 4 M -1 s -1 ), which is in contrast to fast-reacting solutes with higher surface affinity (i.e., nitrite, with k rxn ≈ 10 5 M -1 s -1 ) where surface reactions strongly impact the observed decay kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Tracking Active Phase Behavior on Boron Nitride during the Oxidative Dehydrogenation of Propane Using Operando X-ray Raman Spectroscopy

Hexagonal boron nitride (hBN) is a highly selective catalyst for the oxidative dehydrogenation of propane (ODHP) to propylene. Using a variety of ex situ characterization techniques, the activity of the catalyst has been attributed to the formation of an amorphous boron oxyhydroxide surface layer. The ODHP reaction mechanism proceeds via a combination of surface mediated and gas phase propagated radical reactions with the relative importance of both depending on the surface-to-void-volume ratio. Here we demonstrate the unique capability of operando X-ray Raman spectroscopy (XRS) to investigate the oxyfunctionalization of the catalyst under reaction conditions (1 mm outer diameter reactor, 500 to 550 °C, P = 30 kPa C 3 H 8 , 15 kPa O 2 , 56 kPa He). We probe the effect of a water cofeed on the surface of the activated catalyst and find that water removes boron oxyhydroxide from the surface, resulting in a lower reaction rate when the surface reaction dominates and an enhanced reaction rate when the gas phase contribution dominates. Computational description of the surface transformations at an atomic-level combined with high precision XRS spectra simulations with the OCEAN code rationalize the experimental observations. Finally, this work establishes XRS as a powerful technique for the investigation of light element-containing catalysts under working conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Evidence of shock-compressed stishovite above 300 GPa

SiO 2 is one of the most fundamental constituents in planetary bodies, being an essential building block of major mineral phases in the crust and mantle of terrestrial planets (1–10 M E ). Silica at depths greater than 300 km may be present in the form of the rutile-type, high pressure polymorph stishovite (P4 2 /mnm) and its thermodynamic stability is of great interest for understanding the seismic and dynamic structure of planetary interiors. Previous studies on stishovite via static and dynamic (shock) compression techniques are contradictory and the observed differences in the lattice-level response is still not clearly understood. Here, laser-induced shock compression experiments at the LCLS- and SACLA XFEL light-sources elucidate the high-pressure behavior of stishovite on the lattice-level under in situ conditions on the Hugoniot to pressures above 300 GPa. We find stishovite is still (meta-)stable at these conditions, and does not undergo any phase transitions. This contradicts static experiments showing structural transformations to the CaCl 2 , α-PbO 2 and pyrite-type structures. However, rate-limited kinetic hindrance may explain our observations. These results are important to our understanding into the validity of EOS data from nanosecond experiments for geophysical applications.

58 GEOSCIENCES↗

DOE OSTI2021

Structural and magnetic properties of iodide-mediated chemically synthesized L1 2 FePt 3 nanoparticles

In this work, we study the effect of elemental iodine as a halide intermediary in the synthesis of FePt 3 nanoparticles using a co-reduction of Fe(acac) 3 and (NH 4 ) 2 PtCl 2 with 1,2-hexadecanediol. Our study shows that elemental iodine facilitates the formation of FePt 3 nanoparticles with the L1 2 structure. When iodine is not used, the as-made nanoparticles have mostly the disordered fcc FePt 3 structure. The as-made nanoparticles are ferromagnetic and have a Curie temperature close to 380 K. Annealing of the as-made nanoparticles leads to an increased particle size and a transformation to the ordered L1 2 FePt 3 phase. Nanoparticles annealed at 700°C for 30 minutes show a mixture of two magnetic phases, a ferromagnetic phase with a lower ordering temperature of ~300 K and an antiferromagnetic phase with a Néel temperature around 135 K.

36 MATERIALS SCIENCE↗

DOE OSTI2024

NO 2 -mediated voloxidation for iodine separation from cesium iodide surrogates

Heterogeneous NO 2 -mediated oxidation of uranium, also known as advanced voloxidation, is a proposed head-end reprocessing method for used nuclear fuel. An advantage of advanced voloxidation is the removal of volatile fission products, which complicate downstream separation and containment challenges leading to increased processing economics. Iodine, one of the volatile species of interest, has exhibited varied results in this process. Using CsI as a surrogate material, this work mimics the effect of NO 2 -based voloxidation on iodine and sheds light on the factors that influence the solid–gas phase reaction. Solid-state analysis using Fourier transform infrared attenuated total reflectance spectroscopy and scanning electron microscopy with energy-dispersive X-ray spectroscopy confirmed the conversion of CsI to CsNO 3 . Iodine separation ranged from 46% to 100% across multiple tests. Iodine separation was most effective when multiple recharges of NO 2 were administered. In conclusion, at the bench scale, liberating iodine from CsI appears to occur within 1 h, but the presence of surface H 2 O and the composition of the NO x reagent mixtures greatly influence its success.

advanced voloxidation↗

DOE OSTI2022

Farm-level Interactions Study of a Novel Tri-port Soft-switching Medium-Voltage String Inverter (MVSI) based Large-scale PV-Plus-Storage Farms

A medium-voltage photovoltaic power conversion unit supported by battery based on a novel topology of soft switching solid state transformer is presented in this paper. It can reduce the Levelized Cost of Energy (LCOE) of PVS farm in an extended degree. However, its capability to provide grid-support services, such as frequency response, reactive power support, etc, have not been demonstrated. A series/parallel combination of these modules form a large 20 MVA solar farm. To validate them with reduced computation burden, a small-signal model of MVSI is firstly derived and validated in this paper. The model has been validated to match the full-switch model in both steady-state and dynamic conditions. Next, a farm-level simulation based on the proved small-signal model was implemented to demonstrate grid-support services. Real irradiation date from NREL is used to show the operational capabilities of the system. As a result, the overall farm is simulated based on MATLAB/Simulink domain to check the performance for various cases namely: power transfer from dc-ac side, reactive power support during grid voltage sag and utilization of battery during grid voltage disturbance or partial shading over PV panels.

14 SOLAR ENERGY↗

DOE OSTI2024

Modeling Microwave-Enhanced Chemical Vapor Infiltration Process for Preventing Premature Pore Closure

The chemical vapor infiltration (CVI) process involves infiltrating a porous preform with reacting gases that undergo chemical transformation at high temperatures to deposit the ceramic phase within the pores, ultimately leading to a dense composite. The conventional CVI process in composite manufacturing needs to follow an isothermal approach to minimize temperature differences between the external and internal surfaces of the preform, ensuring that reactive gases infiltrate internal pores before external surfaces seal. Here, this study addresses the challenge of premature pore closure in CVI processes through microwave heating. A frequency-domain microwave solver is developed in OpenFOAM to investigate volumetric heating mechanisms within the preform. Through numerical studies, we demonstrate the capability of microwave heating of creating an inside-out temperature inversion. This inversion accelerates reactions proximal to the preform center, effectively mitigating the risk of premature external pore closure and ensuring uniform densification. The results reveal a significant enhancement in temperature inversion when high-permittivity reflectors are incorporated to generate resonant waves. This microwave heating strategy is then coupled with high-fidelity direct numerical simulation (DNS) of reacting flow, enabling the analysis of resulting densification processes. The DNS includes detailed chemistry and realistic diffusion coefficients. The numerical results can be used to estimate the impact of microwave-induced temperature inversion on densification in productions.

42 ENGINEERING↗

DOE OSTI2024

Modeling Microwave-Enhanced Chemical Vapor Infiltration Process for Preventing Premature Pore Closure

The chemical vapor infiltration (CVI) process involves infiltrating a porous preform with reacting gases that undergo chemical transformation at high temperatures to deposit the ceramic phase within the pores, ultimately leading to a dense composite. The conventional CVI process in composite manufacturing needs to follow an isothermal approach to minimize temperature differences between the external and internal surfaces of the preform, ensuring that reactive gases infiltrate internal pores before external surfaces seal. This study addresses the challenge of premature pore closure in CVI processes through microwave heating. A frequency-domain microwave solver is developed in Open-FOAM to investigate volumetric heating mechanisms within the preform. Through numerical studies, we demonstrate the capability of microwave heating of creating an inside-out temperature inversion. This inversion accelerates reactions proximal to the preform center, effectively mitigating the risk of premature external pore closure and ensuring uniform densification. The results reveal a significant enhancement in temperature inversion when high-permittivity reflectors are incorporated to generate resonant waves. This microwave heating strategy is then coupled with high-fidelity direct numerical simulation (DNS) of reacting flow, enabling the analysis of resulting densification processes. The DNS simulation includes detailed chemistry and realistic diffusion coefficients. The numerical results can be used to estimate the impact of microwave-induced temperature inversion on densification in productions.

Ge, Wenjun↗

NASA NTRS1985

The effects of surface finish and grain size on the strength of sintered silicon carbide

The effects of surface treatment and microstructure, especially abnormal grain growth, on the strength of sintered SiC were studied. The surfaces of sintered SiC were treated with 400, 800 and 1200 grit diamond wheels. Grain growth was induced by increasing the sintering times at 2050 C. The beta to alpha transformation occurred during the sintering of beta-phase starting materials and was often accompanied by abnormal grain growth. The overall strength distributions were established using Weibull statistics. The strength of the sintered SiC is limited by extrinsic surface flaws in normal-sintered specimens. The finer the surface finish and grain size, the higher the strength. But the strength of abnormal sintering specimens is limited by the abnormally grown large tabular grains. The Weibull modulus increases with decreasing grain size and decreasing grit size for grinding.

You, Y. H.↗

NASA NTRS1999

An Overview of the Electrostatic Levitation Facility at Nasa's Marshall Space Flight Center

Containerless processing represents an important area of research in microgravity materials science. This method provides access to the metastable state of an undercooled melt. Containerless processing provides a high-purity environment for the study of reactive, high-temperature materials. Reduced gravity affords several benefits for containerless processing; for example, greatly reduced positioning forces are required and therefore samples of greater mass can be studied. Additionally, in reduced gravity larger specimens will maintain spherical shape which will facilitate modeling efforts. Space Systems/LORAL developed an Electrostatic Containerless Processing System (ESCAPES) as a materials science research tool for investigations of refractory solids and melts. ESCAPES is designed for the investigation of thermophysical properties, phase equilibria, metastable phase formation, undercooling and nucleation, time-temperature-transformation diagrams, and other aspects of materials processing. These capabilities are critical to the research programs of several Principal Investigators supported by the Microgravity Materials Science Program of NASA. NASA's Marshall Space Flight Center (MSFC) recently acquired the ESCAPES system from LORAL. MSFC is now developing a levitation facility in order to provide a critical resource to the microgravity materials science research community and to continue and enhance ground-based research in the support of the development of flight experiments during the transition to Space Station.

Rogers, Jan R.↗

NASA NTRS1998

An Overview of the Electrostatic Levitation Facility at NASA's Marshall Space Flight Center

Containerless processing represents an important area of research in microgravity materials science. This method provides access to the metastable state of an undercooled melt. Containerless processing provides a high-purity environment for the study of reactive, high-temperature materials. Reduced gravity affords several benefits for containerless processing, for example greatly reduced positioning forces are required and therefore samples of greater mass can be studied. Additionally in reduced gravity, larger specimens will maintain spherical shape which will facilitate modeling efforts. Space Systems/LORAL developed an Electrostatic Containerless Processing System (ESCAPES) as a materials science research tool for investigations of refractory solids and melts. ESCAPES is designed for the investigation of thermophysical properties, phase equilibria, metastable phase formation, undercooling and nucleation, time-temperature- transformation diagrams and other aspects of materials processing. These capabilities are critical to the research programs of several Principal Investigators supported by the Microgravity Materials Science Program of NASA. NASA's Marshall Space Flight Center (MSFC) recently acquired the ESCAPES system from LORAL. MSFC is now developing a levitation facility to provide a critical resource to the microgravity materials science research community to continue and enhance ground-based research in the support of the development of flight experiments during the transition to Space Station.

Rogers, Jan R.↗

NASA NTRS1999

An Overview of the MSFC Electrostatic Levitation Facility

Containerless processing represents an important area of research in microgravity materials science. This method provides access to the metastable state of an undercooled melt. Containerless processing provides a high-purity environment for the study of reactive, high-temperature materials. Reduced gravity affords several benefits for containerless processing, for example greatly reduced positioning forces are required and therefore samples of greater mass can be studied. Additionally in reduced gravity, larger specimens will maintain spherical shape which will facilitate modeling efforts. Space Systems/LORAL developed an Electrostatic Containerless Processing System (ESCAPES) as a materials science research tool for investigations of refractory solids and melts. ESCAPES is designed for the investigation of thermophysical properties, phase equilibria, metastable phase formation, undercooling and nucleation, time-temperature- transformation diagrams and other aspects of materials processing. These capabilities are critical to the research programs of several Principal Investigators supported by the Microgravity Materials Science Program of NASA.

Rogers, J. R.↗

NASA NTRS1998

An Object Model for a Rocket Engine Numerical Simulator

Rocket Engine Numerical Simulator (RENS) is a packet of software which numerically simulates the behavior of a rocket engine. Different parameters of the components of an engine is the input to these programs. Depending on these given parameters the programs output the behaviors of those components. These behavioral values are then used to guide the design of or to diagnose a model of a rocket engine "built" by a composition of these programs simulating different components of the engine system. In order to use this software package effectively one needs to have a flexible model of a rocket engine. These programs simulating different components then should be plugged into this modular representation. Our project is to develop an object based model of such an engine system. We are following an iterative and incremental approach in developing the model, as is the standard practice in the area of object oriented design and analysis of softwares. This process involves three stages: object modeling to represent the components and sub-components of a rocket engine, dynamic modeling to capture the temporal and behavioral aspects of the system, and functional modeling to represent the transformational aspects. This article reports on the first phase of our activity under a grant (RENS) from the NASA Lewis Research center. We have utilized Rambaugh's object modeling technique and the tool UML for this purpose. The classes of a rocket engine propulsion system are developed and some of them are presented in this report. The next step, developing a dynamic model for RENS, is also touched upon here. In this paper we will also discuss the advantages of using object-based modeling for developing this type of an integrated simulator over other tools like an expert systems shell or a procedural language, e.g., FORTRAN. Attempts have been made in the past to use such techniques.

Mitra, D.↗

NASA NTRS2000

The Electrostatic Levitation Facility at NASA's Marshall Space Flight Center

Containerless processing is an important area of research in materials science. Electrostatic levitation (ESL) represents an emerging technology which permits containerless processing in a vacuum environment. NASA's Marshall Space Flight Center (MSFC) established a levitation facility to provide a critical resource to the microgravity materials science research community to continue and enhance ground-based research in the support of the development of flight experiments during the transition to Space Station. During ESL processing, charged specimens are levitated in the electrostatic field produced by the system's electrodes. Three sets of positioning electrodes represent the heart of the MSFC system. Two dual-axis position sensitive detectors provide input for the PID control-loop computer. Sample position is maintained by adjusting the control voltages for the power supplies of the positioning electrodes. A UV source refreshes the charge on specimens during processing via the photoelectric effect. Lasers permit sample heating independent of positioning. The processing chamber typically operates under vacuum condition approximately = 10(exp -7) Torr. Electrostatic levitation provides a materials science research tool for investigations of refractory solids and melts. Topics of investigation include thermophysical properties, phase equilibria, metastable phase formation, undercooling and nucleation, time-temperature-transformation diagrams and other aspects of materials processing. Current capabilities and recent results of processing studies for metals, alloys and oxides will be reviewed.

Rogers, Jan R.↗

NASA NTRS2018

Aeroacoustic Validation of Installed Low Noise Propulsion for NASA's N+2 Supersonic Airliner

An aeroacoustic test was conducted at NASA Glenn Research Center on an integrated propulsion system designed to meet noise regulations of ICAO Chapter 4 with 10EPNdB cumulative margin. The test had two objectives: to demonstrate that the aircraft design did meet the noise goal, and to validate the acoustic design tools used in the design. Variations in the propulsion system design and its installation were tested and the results compared against predictions. Far-field arrays of microphones measured the acoustic spectral directivity, which was transformed to full scale as noise certification levels. Phased array measurements confirmed that the shielding of the installation model adequately simulated the full aircraft and provided data for validating RANS-based noise prediction tools. Particle image velocimetry confirmed that the flow field around the nozzle on the jet rig mimicked that of the full aircraft and produced flow data to validate the RANS solutions used in the noise predictions. The far-field acoustic measurements confirmed the empirical predictions for the noise. Results provided here detail the steps taken to ensure accuracy of the measurements and give insights into the physics of exhaust noise from installed propulsion systems in future supersonic vehicles.

aeroacousti↗

NASA NTRS2018

Aeroacoustic Validation of Installed Low Noise Propulsion for NASA's N+2 Supersonic Airliner

supersonic↗

NASA NTRSDate not supplied

LAADS DAAC Migrates to the Cloud: Lessons Learned from Communicating About Earth Science Data on the Cloud

The Level-1 and Atmosphere Archive Distribution System (LAADS) Distributed Active Archive Center (DAAC) is migrating data to the cloud. As one of twelve DAACS supported by NASA’s Earth Science Data and Information System (ESDIS), LAADS is using moving away from on premise data storage facilities to migrating to Amazon Web Services, where the massive archive of data from the Moderate Imaging Spectroradiometer (MODIS) and the Visible Infrared Imaging Radiometer Suite (VIIRS) will be available for download and post-processing transformations online. The migration is happening in three phases and LAADS is concluding its beta testing period. This poster shows the lessons learned from communicating with a select group of users about how to effectively educate data users on using data in the cloud.

Tassia Owen↗