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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Pressure-induced structural phase transformation in cobalt(II) dicyanamide

In situ synchrotron powder diffraction has been used to probe the pressure-dependent structural properties of the magnetic molecular framework material Co(dca) 2 [dca = dicyanamide or N(CN) 2 - ]. An orthorhombic ( Pmnn ) to monoclinic ( P 2 1 / n ) transformation to a high-pressure phase, namely γ-Co(dca) 2 , occurs at 1.1 GPa. Structural determination of γ-Co(dca) 2 shows that the rutile-like topology of the pristine material is retained at high pressures, with the lower symmetry allowing a progression of volume-reducing structural distortions. γ-Co(dca) 2 was stable at the maximum pressure measured of 4.2 GPa. Both phases were soft, with bulk moduli ( B 0 ) for α-Co(dca) 2 and γ-Co(dca) 2 of 13.15 (18) and 9.0 (6) GPa, respectively. Modest uniaxial negative linear compressibility ( K ) of the order of -4 TPa -1 was observed over the entire measured pressure range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Phase transformation, thermal expansion and electrical conductivity of lanthanum chromite

Graphical abstract: - Highlights: • Orthorhombic and rhombohedral phases co-exist at ≥260 °C and cubic above 1000 °C. • Polymorphic changes with temperature in air and Ar–3%H{sub 2} are observed. • Lattice volume change in Ar–3%H{sub 2} atmosphere corresponds to Cr{sup 4+} → Cr{sup 3+} transition. • Change in valence state of Cr{sup 4+} to Cr{sup 3+} results in lower electrical conductivity. • Experimental evidence is provided for poor densification of LaCrO{sub 3} in air. - Abstract: This paper addresses discrepancies pertaining to structural, thermal and electrical properties of lanthanum chromite. Experimental evidence is provided to support the hypothesis for poor densification in air as well as reduction in electrical conductivity in reducing atmosphere. Sintering condition for the synthesis of LaCrO{sub 3} was optimized to 1450 °C and 10 h. Thermo-analytical (differential scanning calorimetry – DSC) and high temperature X-ray diffraction (HT-XRD) studies show that orthorhombic lanthanum chromite transforms into rhombohedral structure at ∼260 °C and cubic structure above 1000 °C. Co-existence of the structural phases and the variation in each polymorph with temperature in both air and 3%H{sub 2}–Ar atmosphere is reported. Presence and absence of Cr-rich phase at inter-particle neck are observed in oxidizing and reducing atmospheres respectively. The linear thermal expansion co-efficient was calculated to be 10.8 ± 0.2 × 10{sup −6} °C{sup −1} in the temperature range of RT–1400 °C. Electrical conductivity of lanthanum chromite was found to be 0.11 S/cm in air. A decrease in electrical conductivity (0.02 S/cm at 800 °C) of LaCrO{sub 3}, as observed in reducing atmosphere (3%H{sub 2}–Ar), corresponds to lattice volume change as indicated by peak shift in HT-XRD results.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The effects of Fe and Al on the phase transformations and mechanical behavior of β-Ti alloy Ti-11at.%Cr

Alloy composition is important for developing desired microstructures in beta-titanium (β-Ti) alloys during thermomechanical processing. In this work, the relatively low-cost alloying elements iron (Fe) and aluminum (Al) were added to a base Ti-11at%chromium (Cr) alloy and in-situ and ex-situ examination of the microstructural evolution and mechanical properties during tension, hardness, elevated temperature X-ray diffraction (XRD) and resonance ultrasound spectroscopy (RUS) were performed. The 400 °C XRD revealed that Ti-11at%Cr underwent β-to-ω and β-to-α transformations. Adding 0.85at% Fe reduced the volume fraction of the ω- and α-phases, and adding 5.3at% Al inhibited the β-to-ω transformation. The 400 °C RUS showed that the alloys containing the ω phase exhibited an increase in shear modulus (G) of ~140%, while the ω-free alloys exhibited an increase of only ~102%. The hardness and strength values of the ω-containing Ti-11Cr and Ti-11Cr-0.85Fe increased with increased ω-phase volume fraction when the ω/α ratio was greater than 0.25. The relationship between ω/α volume ratios and mechanical properties is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Phase transformations in nanostructured coatings based on Zr-Y-O and produced by a pulse magnetron sputtering method

Deposition of nanostructured coatings on the basis of Zr-Y-O was implemented by the pulse magnetron methods. Structural-phase states and morphology of the nanostructured coatings were investigated by TEM, SEM and the high-temperature X-ray method. The method of the high-temperature X-ray diffraction revealed the presence of reversible phase transition of the tetragonal phase to the monoclinic phase, which can ensure stress relaxation and closure of surface cracks.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Transmission electron microscopy investigation of phase transformation and fuel constituent redistribution in neutron irradiated U-10wt.%Zr fuel

Uranium-10wt.%zirconium (U-10wt.%Zr) is a primary candidate for fast reactor nuclear fuels. However, there is a lack of data characterizing neutron irradiated crystallographic phases and chemistry. In the current study, the microstructural evolution of a U-10wt.%Zr fuel neutron irradiated to a burnup of 5.7 at.% was investigated by scanning transmission electron microscopy, energy dispersive spectroscopy, and selected area electron diffraction to determine the major phases, alterations in microstructure, and variations in local chemical composition at different localities of a fuel cross-section. The current study revealed that the irradiated U-10wt.%Zr fuel was comprised of various major phases, including a-U, ß-U, and d-UZr2, as well as amorphous and crystalline solid fission product (FP) precipitates within different regions of the fuel cross-section. Regions A and A/B in the center of the fuel were comprised of U-rich, U-intermediate, and U-lean localities with a-U and d-UZr 2 composing the major phases. Regions B and C in the intermediate and peripheral fuel localities, respectively, were comprised of a-U grains, U-rich (ß-U) grains with Zr-rich precipitates, U-intermediate grains (d-UZr2), and solid FP precipitates. The major phases identified were associated with the nanoscopic chemical concentrations, the phase diagram, and the as-characterized specimen temperature, with the exception of the non-equilibrium ß-U phase identified in region B. The U-lean localities in regions A, A/B, B, and C were Zr-enriched pathways along subgrain/grain boundaries. This phenomenon suggests that Zr is susceptible to radiation-induced segregation in U-Zr fuels and indicates a new mechanism for constituent redistribution.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Phase-Transformation Ductilization of Brittle High-Entropy Alloys via Metastability Engineering

High-entropy alloys (HEAs) in which interesting physical, chemical, and structural properties are being continuously revealed have recently attracted extensive attention. Body-centered cubic (bcc) HEAs, particularly those based on refractory elements are promising for high-temperature application but generally fail by early cracking with limited plasticity at room temperature, which limits their malleability and widespread uses. In this paper, the “metastability-engineering” strategy is exploited in brittle bcc HEAs via tailoring the stability of the constituent phases, and transformation-induced ductility and work-hardening capability are successfully achieved. Finally, this not only sheds new insights on the development of HEAs with excellent combination of strength and ductility, but also has great implications on overcoming the long-standing strength–ductility tradeoff of metallic materials in general.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Characterization of phase transformation during hot compressive deformation in a β-stabilized Ti–45Al–7Nb–0.4W–0.15B alloy

A β-stabilized Ti–45Al–7Nb–0.4W–0.15B (at.%) alloy was hot deformed by uniaxial compression and the phase evolution during the compression was characterized with X-ray diffraction, scanning electron microscopy and electron probe microanalysis. The results show that modest deformation stress during hot compression restrains the γ → α transformation and the decomposition of β phase. The restrained γ → α transformation is a result of a modified equilibrium of the γ and α phases due to the applied stress, and the restrained β decomposition is a kinetic effect due to the decelerated diffusion of β-stabilizing elements caused by the compressive stress. - Highlights: • In β-stabilized TiAl alloys, hot deformation has great influence on the equilibrium of the γ, α, and β phases. • Deformation restrains the γ → α transformation. • Deformation inhibits the decomposition of the β phase.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Probing Phase Transformations and Microstructural Evolutions at the Small Scales: Synchrotron X-ray Microdiffraction for Advanced Applications in [Phase 3 Memory,] 3D IC (Integrated Circuits) and Solar PV (Photovoltaic) Devices

Synchrotron x-ray microdiffraction (μXRD) allows characterization of a crystalline material in small, localized volumes. Phase composition, crystal orientation and strain can all be probed in few-second time scales. Crystalline changes over a large areas can be also probed in a reasonable amount of time with submicron spatial resolution. However, despite all the listed capabilities, μXRD is mostly used to study pure materials but its application in actual device characterization is rather limited. This article will explore the recent developments of the μXRD technique illustrated with its advanced applications in microelectronic devices and solar photovoltaic systems. Application of μXRD in microelectronics will be illustrated by studying stress and microstructure evolution in Cu TSV (through silicon via) during and after annealing. Here, the approach allowing study of the microstructural evolution in the solder joint of crystalline Si solar cells due to thermal cycling will be also demonstrated.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Microstructure, Phase Transformation, Mechanical Behavior, Bio-corrosion and Antibacterial Properties of Ti-Nb-xSn (x = 0, 0.25, 0.5 and 1.5) SMAs

Porous Ti-Nb-xSn shape memory alloys (SMAs) are fabricated by microwave sintering technology. The microstructures exhibit needle-like morphologies, β{sub (N)} (normal straight and crossed needles along with needle-like morphology that resembles spaghetti or irregular lines with α-phases in between) as well as plate-like morphologies [normal straight plate-like morphology, α′′ and dendritic plate-like morphology, β{sub (D)}]. Increases in Sn addition significantly induce an increase in the density of the α-phase. XRD patterns exhibited three phases, namely the β-main phase with smaller intensities of α′′ and α. Further, the addition of 0.25% Sn led to more effective improvement in the intensity of the α′′-phase compared with 0.5% and 1.5% Sn addition. Additions of Sn also enhanced the fracture strength and its corresponding strain along with the shape memory effect (SME), where the best enhancement was achieved at 0.25% Sn. The corrosion rate (Ri) was reduced by rising Sn content, while both corrosion resistance and antibacterial zones were increased. The lower elastic modulus, as well as the robust mechanical properties and bioactivity, made these SMAs rather suitable for biomedical application purposes, where the low elastic modulus had value in terms of avoiding the problem of “stress shielding.”.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Structural and phase transformation of A{sup III}B{sup V}(100) semiconductor surface in interaction with selenium

Surfaces of GaAs(100), InAs(100), and GaP(100) substrates thermally treated in selenium vapor have been investigated by transmission electron microscopy and electron probe X-ray microanalysis. Some specific features and regularities of the formation of A{sub 3}{sup III}B{sub 4}{sup VI} (100)c(2 × 2) surface phases and thin layers of gallium or indium selenides A{sub 2}{sup III}B{sub 3}{sup VI} (100) on surfaces of different A{sup III}B{sup V}(100) semiconductors are discussed within the vacancy model of surface atomic structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Transmission electron microscopy observations on phase transformations during aluminium/mullite composites formation by gas pressure infiltration

The porous ceramic preforms were manufactured using the powder metallurgy technique. First, the start-up material (halloysite with the addition of carbon fibres as the pore-forming agent) was slowly heated to 800 °C and then sintered at 1300 °C. Degradation of the carbon fibres enabled the open canals to form. At the end of the sintering process, the porous ceramic material consisting mainly of two phases (mullite and cristobalite) was formed, without any residual carbon content. During infiltration, the liquid metal filled the empty spaces (pores) effectively and formed the three-dimensional network of metal in the ceramic. The cristobalite was almost entirely decomposed. In the areas of its previous occurrence, there are new pores, only in the ceramic grains. The mullite, which was formed from halloysite during annealing, crystallized in the Pbam orthorhombic space group, with the (3Al{sub 2}O{sub 3}·2SiO{sub 2}) stoichiometric composition. The mullite structure does not change during the infiltration. The composite components are tightly connected. A transition zone between the ceramics and the metal, having the thickness of about 200 nm, was formed. The nanocrystalline zone, identified as γ-Al{sub 2}O{sub 3}, was formed by diffusing the product of the cristobalite decomposition into the aluminium alloy matrix. There is an additional, new phase, identified as (Mg,Si)Al{sub 2}O{sub 4} in the outer parts of the transition zone. - Highlights: • Phase changes after the infiltration of aluminium into porous mullite preforms were observed by TEM. • TEM observations confirm that during infiltration cristobalite was decomposed and the structure of mullite did not change. • Between the ceramic and the metal, a transition zone comprising a layer of γ-Al{sub 2}O{sub 3} and (Mg,Si)Al{sub 2}O{sub 4} was formed.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ∼5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous →β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ∼2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Interior phase transformations and mass-radius relationships of silicon-carbon planets

Planets such as 55 Cancri e orbiting stars with a high carbon-to-oxygen ratio may consist primarily of silicon and carbon, with successive layers of carbon, silicon carbide, and iron. The behavior of silicon-carbon materials at the extreme pressures prevalent in planetary interiors, however, has not yet been sufficiently understood. In this work, we use simulations based on density functional theory to determine high-pressure phase transitions in the silicon-carbon system, including the prediction of new stable compounds with Si{sub 2}C and SiC{sub 2} stoichiometry at high pressures. We compute equations of state for these silicon-carbon compounds as a function of pressure, and hence derive interior structural models and mass-radius relationships for planets composed of silicon and carbon. Notably, we predict a substantially smaller radius for SiC planets than in previous models, and find that mass radius relationships for SiC planets are indistinguishable from those of silicate planets. We also compute a new equation of state for iron. We rederive interior models for 55 Cancri e and are able to place more stringent restrictions on its composition.

79 ASTRONOMY AND ASTROPHYSICS↗