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Results for “PHASE STABILITY”

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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Methods of Phase and Power Control in Magnetron Transmitters for Superconducting Accelerators

Various methods of phase and power control in magnetron RF sources of superconducting accelerators intended for ADS-class projects were recently developed and studied with conventional 2.45 GHz, 1 kW, CW magnetrons operating in pulsed and CW regimes. Magnetron transmitters excited by a resonant (injection-locking) phasemodulated signal can provide phase and power control with the rates required for precise stabilization of phase and amplitude of the accelerating field in Superconducting RF (SRF) cavities of the intensity-frontier accelerators. An innovative technique that can significantly increase the magnetron transmitter efficiency at the widerange power control required for superconducting accelerators was developed and verified with the 2.45 GHz magnetrons operating in CW and pulsed regimes. High efficiency magnetron transmitters of this type can significantly reduce the capital and operation costs of the ADSclass accelerator projects.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

Effects of Zr/Ce molar ratio and water content on thermal stability and structure of ZrO{sub 2}–CeO{sub 2} mixed oxides prepared via sol–gel process

Highlights: ► Tetragonal t″ phase was stabilized in Zr{sub 0.5}Ce{sub 0.5}O{sub 2} solid solution at temperature as high as 1000 °C. ► Specific surface area of powders decreased with the increase of water addition and the Ce content. ► The single stable phase was controlled by adjusting the volume ratio of water and ethanol. ► Tetragonal (t″) phase dissociated into cubic and tetragonal (t′) phases at 1200 °C. -- Abstract: ZrO{sub 2}–CeO{sub 2} mixed oxides were synthesized via sol–gel process. Thermal stability, structure and morphology of samples were investigated by powder X-ray diffraction, FT-Raman spectroscopy, X-ray photoelectron spectroscopy and scanning electron microscopy. In this approach, the solvent composition and Zr/Ce molar ratio have great influences on the structure and morphology of final products. With decreasing water content in the mixed solvent, specific surface area of powders increased and the single tetragonal phase was obtained. Only when the volume ratio of water and ethanol and the Zr/Ce molar ratio were 1:1, tetragonal t″-Zr{sub 0.5}Ce{sub 0.5}O{sub 2} could be stabilized in powders at temperature as high as 1000 °C. Meanwhile, tetragonal (t′) and (t″) phases coexisted in Zr{sub 0.5}Ce{sub 0.5}O{sub 2} solid solution without peak splitting after calcination at 1100 °C, further transforming into cubic and tetragonal (t′) phases at 1200 °C. The effective activation energy for Zr{sub 0.5}Ce{sub 0.5}O{sub 2} nanocrystallite growth during annealing is about 5.24 ± 0.15 kJ/mol.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Investigation of the Self-Assembly Behavior of Statistical Bottlebrush Copolymers via Self-Consistent Field Theory Simulations

Bottlebrush copolymers, a class of high-density side-chain-grafted copolymers with high molecular weights, have recently attracted extensive research attention due to the dramatic reduction of chain entanglement in these copolymers, unique self-assembly behaviors, and distinctive physical properties. In this study, we employ self-consistent field theory simulations to systemically investigate the phase behavior of statistical bottlebrush copolymers A-stat-B, an intriguing subclass of bottlebrush copolymers with random or alternating sequences of A and B side chains. We find that a broader variety of ordered mesophases can be stabilized in the melts of these copolymers relative to the more extensively studied bottlebrush block copolymers. In particular, we observe that these statistical copolymers can stabilize sphere phases over a larger range of species volume fractions than their diblock and tetrablock counterparts but require much higher segregation strength to achieve this. The sphere and hexagonally packed cylinder phases formed by conformationally symmetric statistical bottlebrush copolymers possess interesting discrete core–shell structures with the backbone and lower volume fraction side-chain species forming shells and cores, respectively. Moreover, we uncover a new strategy of stabilizing the Frank–Kasper phase A15 by introducing conformational asymmetry through different side-chain lengths and also observe deflection of order–order phase boundaries and significant mixing between the backbones and short side chains as conformational asymmetry is introduced.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen

At 80 GPa, phases with the PH 2 stoichiometry, which are composed of simple cubic like phosphorus layers capped with hydrogen atoms and layers of H 2 molecules, are predicted to be important species contributing to the recently observed superconductivity in compressed phosphine. In this work, the electron–phonon coupling in these phases results from the motions of the phosphorus atoms and the hydrogen atoms bound to them. The role of the mobile H 2 layers is to decrease the Coulomb repulsion between the negatively charged hydrogen atoms capping the phosphorus layers. An insulating PH 5 phase, the structure and bonding of which is reminiscent of diborane, is also predicted to be metastable at this pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Improving Stability of Zeolites in Aqueous Phase via Selective Removal of Structural Defects

This work reports significant improvement in the hydrothermal stability of a well-characterized BEA zeolite via the selective removal of structural defects. Recent work suggests that the presence of silanol defects destabilizes the framework integrity of most zeolites and makes them susceptible to hydrolysis of the siloxy bonds by hot liquid water. The described approach allows for a key removal of silanols as shown with 29Si-MAS-NMR. Subsequently, the material stability in hot liquid water, measured by retention of its crystallinity with X-ray diffraction (XRD), is found to be superior to defective zeolites. In addition, N2-sorption measurements (BET) and transmission electron microscopy (TEM) show the formation of different types of mesoporosity for water-treated stabilized and unmodified materials. While the sorption capacity for untreated materials drops, related to re-precipitation of dissolved silica and pore blocking, the stabilized material retains its microporosity and improves its overall sorption capacity. The authors would like to thank B. W. Arey (PNNL) for HIM measurements and I. Arslan for TEM imaging. This work was supported by the U. S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. SP and MD acknowledge support by the Materials Synthesis and Simulation Across Scales (MS3 Initiative) conducted under Laboratory Directed Research & Development Program at PNNL.

Environmental Molecular Sciences Laboratory↗
NASA NTRS1989

Multipurpose exciter with low phase noise

Results of an effort to develop a lower-cost exciter with high stability, low phase noise, and controllable phase and frequency for use in Deep Space Network and Goldstone Solar System Radar applications are discussed. Included is a discussion of the basic concept, test results, plans, and concerns.

Conroy, B.↗
DOE OSTI2015

Influence of gadolinium content on the tetragonal to cubic phase transition in zirconia-silica binary oxides

The present study reports the effect of gadolinium (Gd{sup 3+}) in zirconia-silica (ZrO{sub 2}-SiO{sub 2}) binary oxides. The pure ZrO{sub 2}-SiO{sub 2} synthesized at 1100 °C was tetragonal. The addition of Gd{sup 3+} in the concentration range of 5%–10% resulted in the formation of t-ZrO{sub 2}, whereas higher contents of Gd{sup 3+} led to the formation of cubic ZrO{sub 2} (c-ZrO{sub 2}). The presence of Gd{sup 3+} also affected the lattice parameters of both t-ZrO{sub 2} and c-ZrO{sub 2}. Magnetic studies confirmed a steady increase in the paramagnetic behaviour with increasing content of Gd{sup 3+}. - Graphical abstract: t-ZrO{sub 2} to c-ZrO{sub 2} phase transition influenced by Gd{sup 3+} content. - Highlights: • Sol-gel synthesis of Gd{sup 3+} added SiO{sub 2}-ZrO{sub 2} binary oxides. • Significant role of Gd{sup 3+} content in the tetragonal and cubic stabilization of ZrO{sub 2}. • Phase stability of either tetragonal or cubic stabilization till 1100 °C. • Gd{sup 3+} additions ensured additional paramagnetic behaviour in SiO{sub 2}-ZrO{sub 2} binary oxide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Stability Study of the RERTR Fuel Microstructure

The irradiation stability of the interaction phases at the interface of fuel and Al alloy matrix as well as the stability of the fission gas bubble superlattice is believed to be very important to the U-Mo fuel performance. In this paper the recent result from TEM characterization of Kr ion irradiated U-10Mo-5Zr alloy will be discussed. The focus will be on the phase stability of Mo2-Zr, a dominated second phase developed at the interface of U-10Mo and the Zr barrier in a monolithic fuel plate from fuel fabrication. The Kr ion irradiations were conducted at a temperature of 200 degrees C to an ion fluence of 2.0E+16 ions/cm2. To investigate the thermal stability of the fission gas bubble superlattice, a key microstructural feature in both irradiated dispersion U-7Mo fuel and monolithic U-10Mo fuel, a FIB-TEM sample of the irradiated U-10Mo fuel (3.53E+21 fission/cm3) was used for a TEM in-situ heating experiment. The preliminary result showed extraordinary thermal stability of the fission gas bubble superlattice. The implication of the TEM observation from these two experiments on the fuel microstructural evolution under irradiation will be discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Isotropic Low Thermal Expansion over a Wide Temperature Range in Ti 1– x Zr x F 3+ x (0.1 ≤ x ≤ 0.5) Solid Solutions

TiF 3 exhibits a rhombohedral to ReO 3 -type cubic phase transformation at ~340 K. Here we report that, by introducing ZrF 4 into TiF 3 , the cubic phase is stabilized at least down to 123 K in the Ti 1–x Zr x F 3+x compounds. All compounds exhibit low thermal expansion (LTE) between 123 and 623 K, and a nearly zero thermal expansion (ZTE) was obtained in Ti 0.7 Zr 0.3 F 3.3 (α L = 0.91 ppm/K). The analysis of pair distribution function reveals that the cation-centered octahedra are partially changed to pentagonal bipyramids in Ti 1–x Zr x F 3+x due to the excess fluorines relative to the case of TiF 3 . Therefore, the cooperative rotation of the polyhedra tends to be restricted, and the cubic phase is thus stabilized. The restrained polyhedral rotations compete against the lattice softening caused by the introduction of Zr 4+ , giving rise to the LTE. Lastly, our present strategy is applicable to other rhombohedral metal trifluorides for the design of new isotropic ZTE materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Transmission electron microscopy study of a high burnup U-10Zr metallic fuel

To support the development of U-10 wt.% Zr (U-10Zr) metallic fuel for Gen IV sodium-cooled fast reactors, we analysed a solid, Na-bonded, U-10Zr (by weight percent) fuel cross section that was irradiated to a burnup of ~ 12.4 % at.% at the Fast Flux Test Facility (FFTF). Advanced characterization techniques, including site specific sample preparation by focused ion beam (FIB) and phase/chemical determination by transmission electron microscopy (TEM), were used to reveal the constituent redistribution of Zr, characterize the fuel phases and the secondary phases (such as solid fission products) present at the end of life. It is shown that the fuel pin cross section is divided into three major concentric zones: a Zr-rich central region, a Zr-lean intermediate region, and a Zr intermediate peripherical region. The phase characterization revealed that the irradiation environment enhanced the development and stabilization of phases not predicted by the standard equilibrium U-Zr phase diagrams. Comparing the current results with the ones from previous studies, it is reaffirmed that the irradiation temperature and the time spent in the reactor, rather than the fuel burnup, are the two factors that most influence the formation of redistribution zones and their extension along the fuel cross section. Various solid fission products precipitated inside the fission gas pores, such as lanthanides, ZrRu, BaTe, CsI, and Ba and Sr oxides. Here, this study provides unprecedented nanoscale understandings in the U-10Zr fuel system that may benefit fuel performance modelling and advanced fuel development.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Evaluating structure selection in the hydrothermal growth of FeS 2 pyrite and marcasite

While the ab initio prediction of the properties of solids and their optimization towards new proposed materials is becoming established, little predictive theory exists as to which metastable materials can be made and how, impeding their experimental realization. Here we propose a quasi-thermodynamic framework for predicting the hydrothermal synthetic accessibility of metastable materials and apply this model to understanding the phase selection between the pyrite and marcasite polymorphs of FeS 2 . We demonstrate that phase selection in this system can be explained by the surface stability of the two phases as a function of ambient pH within nano-size regimes relevant to nucleation. This result suggests that a first-principles understanding of nano-size phase stability in realistic synthesis environments can serve to explain or predict the synthetic accessibility of structural polymorphs, providing a guideline to experimental synthesis via efficient computational materials design.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Thermochemical analysis of the silicon carbide-alumina reaction with reference to liquid-phase sintering of silicon carbide

The stabilities of different phases in the Si-Al-C-O system are calculated from thermodynamic considerations with the objective of identifying the liquid phases formed during sintering of SiC in the presence of Al2O3. It is shown that a liquid phase can form at the sintering temperatures by the reaction of SiC with Al2O3. Depending on the carbon activity, the liquid can be either of the following: Al2O3 + Al4C3, SiC + Al4C3, or molten aluminum. The stability of the aluminosilicate melts that can form by the reaction of Al2O3 with the surface silica layer on SiC powders is also evaluated. Several factors that influence liquid-phase sintering, such as the solubility of SiC in the melts and the generation of gases during sintering, are discussed. The results of the thermodynamic analysis are compared with the observed sintering behavior for SiC.

Misra, Ajay K.↗
DOE OSTI2016

Calorimetric Determination of Thermodynamic Stability of MAX and MXene Phases

MXenes are layered two dimensional materials with exciting properties useful to a wide range of energy applications. They are derived from ceramics (MAX phases) by leaching and their properties reflect their resulting complex compositions which include intercalating cations and anions and water. Their thermodynamic stability is likely linked to these functional groups but has not yet been addressed by quantitative experimental measurements. We report enthalpies of formation from the elements at 25 °C measured using high temperature oxide melt solution calorimetry for a layered Ti-Al-C MAX phase, and the corresponding Ti-C based MXene. The thermodynamic stability of the Ti 3 C 2 T x MXene (Tx stands for anionic surface moieties, and intercalated cations) was assessed by calculating the enthalpy of reaction of the MAX phase (ideal composition Ti 3 AlC 2 ) to form MXene, The very exothermic enthalpy of reaction confirms the stability of MXene in an aqueous environment. The surface terminations (O, OH and F) and cations (Li) chemisorbed on the surface and intercalated in the interlayers play a major role in the thermodynamic stabilization of MXene. These findings help to understand and potentially improve properties and performance by characterizing the energetics of species binding to MXene surfaces during synthesis and in energy storage, water desalination and other applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Temperature-induced hexagonal–orthorhombic phase transition in lutetium ferrite nanoparticles

The x-ray diffraction, Raman, and infrared spectroscopies and magnetic measurements were used to explore the correlated changes of the structure, lattice dynamics, and magnetic properties of the LuFeO3 nanoparticles, which appear in dependence on their sintering temperature. We revealed a gradual substitution of the hexagonal phase by the orthorhombic phase in the nanoparticles, with sintering temperature increasing from 700 to 1100 °C. The origin and stability of the hexagonal phase in the LuFeO3 nanoparticles are of the special interest, because the nanoparticles in the phase can be a room-temperature multiferroic with a weak ferromagnetic and pronounced structural and ferroelectric long-range ordering. The antiferromagnetic and nonpolar orthorhombic phase is more stable in the bulk LuFeO3. To define the ranges of the hexagonal phase stability, we determine the bulk and interface energy densities of different phases from the comparison of the Gibbs model with experimental results. Using effective parameters of the Gibbs model, we predict the influence of size effects and temperature on the structural and polar properties of the LuFeO3 nanoparticles. Analysis of the obtained results shows that the combination of the x-ray diffraction, Raman and infrared spectroscopies, magnetic measurements, and theoretical modeling of structural and polar properties allows us to establish the interplay between the phase composition, lattice dynamics, and multiferroic properties of the LuFeO3 nanoparticles prepared under different conditions.

Materials Science↗
DOE OSTI2021

Stable Thermotropic 3D and 2D Double Gyroid Nanostructures with Sub-2-nm Feature Size from Scalable Sugar–Polyolefin Conjugates

In this study, ultra-low molecular weight disaccharide–polyolefin conjugates with cellobiose, lactose and maltose head groups and atactic polypropene tails, such as 1, undergo a series of irreversible thermotropic order–order transitions with increasing temperature to provide nanostructured phases in the sequence: lamellar (L), hexagonal perforated lamellar (HPL), double gyroid (DG) and hexagonal cylindrical (C). The DG phase displays exceptional stability at ambient temperature and features two interpenetrating sugar domain networks having a sub-2-nm strut width and a lattice parameter, a DG , of 13.1 nm. The unique stability of this DG phase extends further within ultrathin films all the way down to the two-dimensional limit of 15 nm in which film thickness, l, is now less than the surface-oriented unit cell height, h DG . In addition to raising the fundamental question of what minimally constitutes a Schoen triply periodic minimal surface and DG lattice, these results serve to establish the class of sugar–polyolefin conjugates as a new material platform for nanoscience and nanotechnology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Stable Thermotropic 3D and 2D Double Gyroid Nanostructures with Sub‐2‐nm Feature Size from Scalable Sugar–Polyolefin Conjugates

Abstract Ultra‐low molecular weight disaccharide–polyolefin conjugates with cellobiose, lactose and maltose head groups and atactic polypropene tails, such as 1 , undergo a series of irreversible thermotropic order–order transitions with increasing temperature to provide nanostructured phases in the sequence: lamellar ( L ), hexagonal perforated lamellar ( HPL ), double gyroid ( DG ) and hexagonal cylindrical ( C ). The DG phase displays exceptional stability at ambient temperature and features two interpenetrating sugar domain networks having a sub‐2‐nm strut width and a lattice parameter, a DG , of 13.1 nm. The unique stability of this DG phase extends further within ultrathin films all the way down to the two‐dimensional limit of 15 nm in which film thickness, l , is now less than the surface‐oriented unit cell height, h DG . In addition to raising the fundamental question of what minimally constitutes a Schoen triply periodic minimal surface and DG lattice, these results serve to establish the class of sugar–polyolefin conjugates as a new material platform for nanoscience and nanotechnology.

Nowak, Samantha R.↗
DOE OSTI2025

The Ce-Fe-Ti System: Phase Equilibria in the Fe-rich Corner at 1000 °C

The rare earth–iron–transition metal systems are of increasing interest in the search for novel permanent magnet phases. This work reports on the solidification behavior, phase equilibria and stability range of solid phases in the ternary Ce-Fe-Ti system, focusing on the iron-rich region (> 65 at.% Fe) of the isothermal section at 1000 °C. Further, two ternary phases Ce 1.03 Fe 12-x Ti x (x = 0.87–1.02) with ThMn 12 structure type and Ce 3.06 Fe 27.6 Ti 1.4 with Nd 3 Fe 29 structure type were observed. Magnetic measurements of Ce 1.03 Fe 12-x Ti x and Ce 3.06 Fe 27.6 Ti 1.4 revealed ferromagnetic ordering with Curie temperatures of 550 K and 327 K, respectively.

36 MATERIALS SCIENCE↗