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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Cavity resonator for dielectric measurements of high-ε, low loss materials, demonstrated with barium strontium zirconium titanate ceramics

A resonant cavity method is presented which can measure loss tangents and dielectric constants for materials with dielectric constant from 150 to 10 000 and above. This practical and accurate technique is demonstrated by measuring barium strontium zirconium titanate bulk ferroelectric ceramic blocks. Above the Curie temperature, in the paraelectric state, barium strontium zirconium titanate has a sufficiently low loss that a series of resonant modes are supported in the cavity. At each mode frequency, the dielectric constant and loss tangent are obtained. The results are consistent with low frequency measurements and computer simulations. A quick method of analyzing the raw data using the 2D static electromagnetic modeling code SuperFish and an estimate of uncertainties are presented.

Marksteiner, Quinn R.↗
DOE OSTI2018

Dynamic reflectance changes in high-purity zirconium when it is shocked from the α to ω phase

Flash lamp-illuminated integrating spheres have been used to measure the dynamic reflectance at the interface between a shocked metal target and a window maintaining the shock stress. In conjunction with radiance measurements, this method was recently used to study the pressure versus temperature phase boundary of the beta phase to body-centered-tetragonal transition of tin at around 13 GPa and, in separate experiments, to show a relationship between the reflectance and the phase fraction. We have used this technique to measure the ratio, R, of the dynamic reflectance relative to the ambient value for a high-purity zirconium sample attached to a sapphire window to study the alpha to omega phase transition. Nine experiments cover the range of stress, σ, from 4 to 16 GPa at six wavelengths from 500 to 1550 nm. The two phases in zirconium differ in volume by <1%, so a phase change between them can be difficult to identify from anomalies in the particle velocity measured on the shock Hugoniot. The phase boundary is believed to cross the Hugoniot around 3 GPa, but dynamically it is observed at much higher stresses >6 GPa. Our results show that the relative reflectance decreases upon initial shock in the alpha state but increases as the material transforms to its omega state. The slope dR/dσ changes the sign around the phase transition. For shocks below 6 GPa, dR/dσ < 0, and for σ above 10 GPa, dR/dσ > 0. In the stress region between 6 and 10 GPa, dR/dσ varies somewhat, perhaps due to the band structure or because the transition is incomplete there. I. INTRODUCTION

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Fluidized Bed Chemical Vapor Deposition of Zirconium Nitride Films

A fluidized bed-chemical vapor deposition (FB-CVD) process was designed and established in a two-part experiment to produce zirconium nitride barrier coatings on uranium-molybdenum particles for a reduced enrichment dispersion fuel concept. A hot-wall, inverted fluidized bed reaction vessel was developed for this process, and coatings were produced from thermal decomposition of the metallo-organic precursor tetrakis(dimethylamino)zirconium (TDMAZ) in high purity argon gas. Experiments were executed at atmospheric pressure and low substrate temperatures (i.e., 500 to 550 K). Deposited coatings were characterized using scanning electron microscopy, energy dispersive spectroscopy, and wavelength dispersive spectroscopy. Successful depositions were produced on 1 mm diameter tungsten wires and fluidized ZrO 2 -SiO 2 microspheres (185 to 250 µm diameter) with coating thicknesses ranging from 0.5 to 30 µm. The coating deposition rate was nominally estimated to be 0.04 ± 0.02 µm/h. The ZrN coating adhered to the microspheres but there was a significant oxygen and possible carbon contamination.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Diffuse scattering from dynamically compressed single-crystal zirconium following the pressure-induced α → ω phase transition

The prototypical α → ω phase transition in zirconium is an ideal test bed for our understanding of polymorphism under extreme loading conditions. After half a century of study, a consensus had emerged that the transition is realized via one of two distinct displacive mechanisms, depending on the nature of the compression path. However, recent dynamic-compression experiments equipped with diffraction diagnostics performed in the past few years have revealed new transition mechanisms, demonstrating that our understanding of the underlying atomistic dynamics and transition kinetics is in fact far from complete. We present classical molecular dynamics simulations of the α → ω phase transition in single-crystal zirconium shock compressed along the [0001] axis using a machine-learning-class potential. The transition is predicted to proceed primarily via a modified version of the two-stage Usikov-Zilberstein mechanism, whereby the high-pressure ω phase heterogeneously nucleates at boundaries between grains of an intermediate β phase. We further observe the fomentation of atomistic disorder at the junctions between β grains, leading to the formation of highly defective interstitial material between the ω grains. We directly compare synthetic x-ray diffraction patterns generated from our simulations with those obtained using femtosecond diffraction in recent dynamic-compression experiments, and show that the simulations produce the same unique, anisotropic diffuse scattering signal unlike any previously seen from an elemental metal. Our simulations suggest that the diffuse signal arises from a combination of thermal diffuse scattering, nanoparticlelike scattering from residual kinetically stabilized α and β grains, and scattering from interstitial defective structures. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2019

First-principles calculations of solute transport in zirconium: Vacancy-mediated diffusion with metastable states and interstitial diffusion

Zirconium alloys are the most widely used nuclear fuel cladding materials for light water power reactors where irradiation damage causes solute redistribution, leading to degradation of alloy properties such as corrosion resistance. Designing radiation-tolerant zirconium alloys requires a thorough understanding of the atomic-scale transport behavior of the alloying elements in Zr. In this work, we perform density function theory calculations to investigate the diffusion of Sn, Cr, Fe, Be, Al, and Ni in the hexagonal close-packed (HCP) Zr matrix. We develop a methodology to accurately model the metastable vacancy states along the basal migration path, known to occur in group IV metals. We compute the vacancy-mediated solute diffusion coefficients and drag ratios using the kinetic Monte Carlo method and an analytic Green's function method—the agreement between the two validates our methodology. The computed diffusion coefficients of Sn and Al show good agreement with the experimental data and we expect these solutes to diffuse via the vacancy-mediated mechanism. We use a Green's function approach, parameterized with data from density functional theory calculations, to compute the interstitial diffusion coefficients of Cr, Fe, Be, and Ni in the HCP Zr lattice. The computed diffusion coefficients of Cr, Ni, and Be agree with the experimental measurements within one order of magnitude, while those of Fe are within two orders of magnitude of the experimental measurements. The drag ratios for Cr, Fe, Be, and Ni are positive up to 1235 K, which suggests that nonequilibrium vacancy fluxes could drag these solutes toward sinks such as dislocation loops and grain boundaries. We also compute the transport coefficients without including the metastable states, and using the eight- and thirteen-frequency model. Our results show significant differences in drag ratio for the eight- and thirteen-frequency model predictions compared with the Green's function methodology, but smaller errors in the solute diffusivity. Combining interstitial and vacancy-mediated diffusivities, we predict the unusual result that increased vacancy concentration slows down solute diffusivity, while a sufficiently high vacancy concentration can change the dominant mechanism to an accelerated vacancy-mediated diffusion.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Evaluation of macrocyclic hydroxyisophthalamide ligands as chelators for zirconium-89

The development of bifunctional chelators (BFCs) for zirconium-89 immuno-PET applications is an area of active research. We report the synthesis and evaluation of octadentate hydroxyisophthalamide ligands (1 and 2) as zirconium-89 chelators. And while both radiometal complexes could be prepared quantitatively and with excellent specific activity, preparation of 89 Zr-1 required elevated temperature and an increased reaction time. 89 Zr-1 was more stable than 89 Zr-2 when challenged in vitro by excess DTPA or serum proteins and in vivo during acute biodistribution studies. The differences in radiometal complex stability arise from structural changes between the two ligand systems, and suggest further ligand optimization is necessary to enhance 89 Zr chelation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Impact of Coating Defects on Performance of Coated Zirconium Cladding

Research on accident tolerant fuels (ATF) has started after the Fukushima accident [1–3]. While efforts have been expended on both fuel and cladding ATF concepts, the bulk of work has been devoted to improved cladding. The overarching goal of these approaches is to extend the coping time available during a severe accident before any event would result in release of radioactivity to the public. The most basic ATF cladding concept is obtained by applying a thin coating of highly corrosion-resistant material on the surface of a licensed zirconium cladding alloy. This thin coating is intended to not interfere with the neutronic or mechanical performance of the base cladding under normal operating conditions. Different coating materials, thicknesses, coating processes, process parameters, and testing methods have an impact on the microstructure and mechanical properties and therefore on the results of the applied investigation methods. These challenges have motivated an initial focus on demonstrating that the presence of coatings do not perturb the critical performance benchmarks of uncoated material. Ongoing lead test assembly irradiations of coated zirconium concepts in commercial reactions is intended to establish baseline performance in this regard in the coming years.

36 MATERIALS SCIENCE↗
NASA NTRS1968

Studies in zirconium oxidation

Study provides insight into the oxidation mechanism of zirconium by combining electrical measurements with oxidation data. The measurement of electrical potential across growing scale on zirconium and the determination of conventional weight-change oxidation data were carried out at 550, 700, and 800 degrees C.

Draley, J. E.↗
NASA NTRS1974

High temperature mechanical properties of a zirconium-modified, precipitation- strengthened nickel, 30 percent copper alloy

A precipitation-strengthened Monel-type alloy has been developed through minor alloying additions of zirconium to a base Ni-30Cu alloy. The results of this exploratory study indicate that thermomechanical processing of a solution-treated Ni-30Cu-0.2Zr alloy produced a dispersion of precipitates. The precipitates have been tentatively identified as a Ni5Zr compound. A comparison of the mechanical properties, as determined by testing in air, of the zirconium-modified alloy to those of a Ni-30Cu alloy reveals that the precipitation-strengthened alloy has improved tensile properties to 1200 K and improved stress-rupture properties to 1100 K. The oxidation characteristics of the modified alloy appeared to be equivalent to those of the base Ni-30Cu alloy.

Whittenberger, J. D.↗
NASA NTRS1973

Critical role of nitrogen during high temperature scaling of zirconium

The mechanisms of scale cracking, scale color changes, and scale growth, and their interrelations, were studied in zirconium specimens at elevated temperatures in air, oxygen and nitrogen. Nitrogen was found to be responsible for monoclinic-to-cubic ZrO2 conversion, for scale cracking and breakaway on zirconium nitride, and for the formation of ZrN on the metal interface underneath an outer oxide layer.

Evans, E. B.↗
NASA NTRS1975

Bonding of sapphire to sapphire by eutectic mixture of aluminum oxide and zirconium oxide

Bonding of an element comprising sapphire, ruby or blue sapphire to another element of such material with a eutectic mixture of aluminum oxide and zirconium oxide is discussed. The bonding mixture may be applied in the form of a distilled water slurry or by electron beam vapor deposition. In one embodiment the eutectic is formed in situ by applying a layer of zirconium oxide and then heating the assembly to a temperature above the eutectic temperature and below the melting point of the material from which the elements are formed. The formation of a sapphire rubidium maser cell utilizing eutectic bonding is shown.

Deluca, J. J.↗
NASA NTRS1979

Bonding of sapphire to sapphire by eutectic mixture of aluminum oxide and zirconium oxide

An element comprising sapphire, ruby or blue sapphire can be bonded to another element of such material with a eutectic mixture of aluminum oxide and zirconium oxide. The bonding mixture may be applied in the form of a distilled water slurry or by electron beam vapor deposition. In one embodiment the eutectic is formed in situ by applying a layer of zirconium oxide and then heating the assembly to a temperature above the eutectic temperature and below the melting point of the material from which the elements are formed. The formation of a sapphire rubidium maser cell utilizing eutectic bonding is shown.

Deluca, J. J.↗
NASA NTRS1984

Electrotransport and diffusivity of molybdenum, rhenium, tungsten, and zirconium in beta-thorium

The electric mobilities, diffusivities, and effective valences were determined for molybdenum, rhenium, tungsten, and zirconium in beta-thorium. All four solutes migrated in the same direction as the electron flow. Rhenium and molybdenum were found to be very mobile, with tungsten somewhat slower. Zirconium was found to move at a rate near that of the self-diffusion of beta-thorium, viz., about 10 to the -11th sq m/s at 1500 C. The electromigration velocities showed a similar trend. A comparison was made between experimental data obtained by scanning laser mass spectrometry and theoretical transport equations for two purification experiments. Good agreement was obtained with both the concentration profile predicted by DeGroot and the purification ratio predicted by Verhoeven.

Schmidt, F. A.↗
NASA NTRS1989

Investigation of heat transfer in zirconium potassium perchlorate at low temperature: A study of the failure mechanism of the NASA standard initiator

The objective of this work was to study the reasons for the failure of pyrotechnic initiators at very low temperatures (10 to 100 K). A two-dimensional model of the NASA standard initiator was constructed to model heat transfer from the electrically heated stainless steel bridgewire to the zirconium potassium perchlorate explosive charge and the alumina charge cup. Temperature dependent properties were used in the model to simulate initiator performance over a wide range of initial temperatures (10 to 500 K). A search of the thermophysical property data base showed that pure alumina has a very high thermal conductivity at low temperatures. It had been assumed to act as a thermal insulator in all previous analyses. Rapid heat transfer from the bridgewire to the alumina at low initial temperatures was shown to cause failure of the initiators if the wire did not also make good contact with the zirconium potassium perchlorate charge. The mode is able to reproduce the results of the tests that had been conducted to investigate the cause for failure. It also provides an explanation for previously puzzling results and suggests simple design changes that will increase reliability at very low initial temperatures.

Varghese, Philip L.↗
NASA NTRS2003

Alternative Processing of High Temperature Hafnium and Zirconium Based Materials

The behavior of refractory hafnium and zirconium based materials are being investigated at NASA Ames as part of ongoing research aimed at developing superior heat resistant materials for aerospace applications. Hafnium and zirconium diboride based materials have shown high temperature capabilities in simulated reentry environments indicating that these materials may successfully operate as reusable oxidation resistant components for leading edge applications. Due to the refractory nature of these materials, processing of fine-grained uniform microstructures poses a number of challenges. To better understand the process-property-microstructure relationship, processing of these materials has been carried out with conventional hot pressing in addition to the novel approach of Spark Plasma Sintering (SPS). The two processing methods are compared and contrasted in an evaluation of the sintering behavior of high temperature diboride based materials and preliminary physical and mechanical properties are presented.

Gasch, Matthew↗
DOE OSTI2013

Atomistic Studies of Cation Transport in Tetragonal ZrO2 During Zirconium Corrosion

Zirconium alloys are the major fuel cladding materials in current reactors. The water-side corrosion is one of the major degradation mechanisms of these alloys. During corrosion the transport of oxidizing species in zirconium dioxide (ZrO2) determines the corrosion kinetics. Previously it has been argued that the outward diffusion of cation ions is important for forming protective oxides. In this work, the migration of Zr defects in tetragonal ZrO2 is studied with temperature accelerated dynamics and molecular dynamics simulations. The results show that Zr interstitials have anisotropic diffusion and migrate preferentially along the [001] or c direction in tetragonal ZrO2. The compressive stresses can increase the Zr interstitial migration barrier significantly. The migration barriers of some defect clusters can be much lower than those of point defects. The migration of Zr interstitials at some special grain boundaries is much slower than in a bulk oxide. The implications of these atomistic simulation results in the Zr corrosion are discussed.

36 MATERIALS SCIENCE↗