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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Interfacial intermixing and anti-phase boundaries in GaP/Si(0 0 1) heterostructures

Epitaxial GaP/Si heterostructures grown by molecular beam epitaxy (MBE) and migration-enhanced epitaxy (MEE) have been studied, primarily using aberration-corrected scanning transmission electron microscopy (AC-STEM). Atomically-resolved structure images, which are sensitive to atomic-column intensity revealed the detailed geometry of antiphase boundaries that were both parallel and also inclined to the growth direction. The polar/non-polar GaP/Si interfaces were neither atomically flat laterally nor abrupt vertically. Measurements of intensity profiles using both bright-field and dark-field AC-STEM images, as well as chemically-sensitive g 002 dark-field imaging, indicated substantial interfacial intermixing, which increased significantly from ~1.3 nm (MEE growth at 440 °C) to ~2.1 nm (MBE growth at 600 °C). The finite interface width will impact theoretical predictions of charge imbalance and strong electric fields across the heterointerface.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structural investigation of the temperature-stable relaxor dielectric Ba 0.8 Ca 0.2 TiO 3 -Bi(Mg 0.5 Ti 0.5 )O 3

Aberration corrected scanning transmission electron microscopy (STEM) and electron diffraction have been used to disclose local structure and nano-chemistry in a Ca modified BaTiO 3 -Bi(Mg 0.5 Ti 0.5 )O 3 relax or dielectric ceramic which exhibits high and near-invariant relative permittivity over a wide temperature range. High resolution, synchrotron X-ray diffraction indicated a globally cubic structure ($Pm$$\overline{3}$$m$), but direct atomic-scale imaging by STEM revealed local tetragonal distortions. Nanopolar clusters were identified from B-site atomic displacement vectors measured relative to oxygen ion positions along < 100 > and < 110 > zone axes of integrated differential phase contrast (iDPC) STEM images, highlighting cluster sizes of 2–5 nm. Chemical analysis by STEM-energy dispersive X-ray spectroscopy and full pattern refinements of X-ray powder diffraction data each implied high levels of Bi vacancies within the matrix. The possibility that these A-site vacancies modulate the nanopolar structure and promote flattening of the permittivity-temperature response in this class of dielectric is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructure and coercivity in alnico 9

Magnetic property enhancement of alnico, a rare-earth free permanent magnet, is highly dependent on both the initial microstructure and the evolution of the spinodal decomposition (SD) inside each grain during the heat treatment process. The size, shape and distribution of the magnetic FeCo-rich (α 1 ) phase embedded in continuous non-magnetic AlNi-rich (α 2 ) phase as well as a minor Cu-enriched phase residing in between are shown to be crucial in controlling coercivity. Phase and magnetic domain morphology in a commercial alnico 9 alloy was studied using a combination of structural characterization techniques, including scanning electron microscopy, electron backscatter diffraction, aberration-corrected scanning transmission electron microscopy and Lorentz microscopy. Our results showed that casting created structural nonuniformity and defects, such as porosity, TiS 2 precipitates and grain misorientation, are heterogeneously distributed, with the center section having the best crystallographic orientation and minimal defects. The optimal spinodal is a “mosaic structure”, composed of rod-shape α1 phase with {110} or {100} planar faceting and diameter of ~30–45nm. There is also a Cu-enriched phase residing at the corners of two < 110 > facets of the α1 phase. Furthermore, it was observed that grain boundary phase reverse magnetization direction at lower external magnetic field compared to the SD region inside the grain. Improving grain orientation uniformity, reducing detrimental grain boundary phase volume fraction, and the branching of the α 1 rods, as well as their diameter, are promising routes to improve energy product of alnico.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Response of nanostructured ferritic alloys to high-dose heavy ion irradiation

A latest-generation aberration-corrected scanning/transmission electron microscope (STEM) is used to study heavy-ion-irradiated nanostructured ferritic alloys (NFAs). Results are presented for STEM X-ray mapping of NFA 14YWT irradiated with 10 MeV Pt to 16 or 160 dpa at -100°C and 750°C, as well as pre-irradiation reference material. Irradiation at -100°C results in ballistic destruction of the beneficial microstructural features present in the pre-irradiated reference material, such as Ti-Y-O nanoclusters (NCs) and grain boundary (GB) segregation. Irradiation at 750°C retains these beneficial features, but indicates some coarsening of the NCs, diffusion of Al to the NCs, and a reduction of the Cr-W GB segregation (or solute excess) content. Ion irradiation combined with the latest-generation STEM hardware allows for rapid screening of fusion candidate materials and improved understanding of irradiation-induced microstructural changes in NFAs.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2015

Atomistic structures of nano-engineered SiC and radiation-induced amorphization resistance

In this paper, nano-engineered 3C–SiC thin films, which possess columnar structures with high-density stacking faults and twins, were irradiated with 2 MeV Si ions at cryogenic and room temperatures. From cross-sectional transmission electron microscopy observations in combination with Monte Carlo simulations based on the Stopping and Range of Ions in Matter code, it was found that their amorphization resistance is six times greater than bulk crystalline SiC at room temperature. High-angle bright-field images taken by spherical aberration corrected scanning transmission electron microscopy revealed that the distortion of atomic configurations is localized near the stacking faults. Finally, the resultant strain field probably contributes to the enhancement of radiation tolerance of this material.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Structure of ‘linkerless’ hydroxamic acid inhibitor-HDAC8 complex confirms the formation of an isoform-specific subpocket

Histone deacetylases (HDACs) catalyze the hydrolysis of acetylated lysine side chains in histone and non-histone proteins, and play a critical role in the regulation of many biological processes, including cell differentiation, proliferation, senescence, and apoptosis. Aberrant HDAC activity is associated with cancer, making these enzymes important targets for drug design. In general, HDAC inhibitors (HDACi) block the proliferation of tumor cells by inducing cell differentiation, cell cycle arrest, and/or apoptosis, and comprise some of the leading therapies in cancer treatments. To date, four HDACi have been FDA approved for the treatment of cancers: suberoylanilide hydroxamic acid (SAHA, Vorinostat, Zolinza®), romidepsin (FK228, Istodax®), belinostat (Beleodaq®), and panobinostat (Farydak®). Most current inhibitors are pan-HDACi, and non-selectively target a number of HDAC isoforms. Six previously reported HDACi were rationally designed, however, to target a unique sub-pocket found only in HDAC8. While these inhibitors were indeed potent against HDAC8, and even demonstrated specificity for HDAC8 over HDACs 1 and 6, there were no structural data to confirm the mode of binding. In this paper we report the X-ray crystal structure of Compound 6 complexed with HDAC8 to 1.98 Å resolution. We also describe the use of molecular docking studies to explore the binding interactions of the other 5 related HDACi. Our studies confirm that the HDACi induce the formation of and bind in the HDAC8-specific subpocket, offering insights into isoform-specific inhibition.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Superconductivity in the orthorhombic phase of thermoelectric CsPb{sub x}Bi{sub 4−x}Te{sub 6} with 0.3≤x≤1.0

Experimental measurements clearly reveal the presence of bulk superconductivity in the CsPb{sub x}Bi{sub 4−x}Te{sub 6} (0.3≤x≤1.0) materials, i.e. the first member of the thermoelectric series of Cs[Pb{sub m}Bi{sub 3}Te{sub 5+m}], these materials have the layered orthorhombic structure containing infinite anionic [PbBi{sub 3}Te{sub 6}]{sup −} slabs separated with Cs{sup +} cations. Temperature dependences of electrical resistivity, magnetic susceptibility, and specific heat have consistently demonstrated that the superconducting transition in Cs{sub 0.96}Pb{sub 0.25}Bi{sub 3.75}Te{sub 6.04} occurs at T{sub c}=3.1 K, with a superconducting volume fraction close to 100% at 1.8 K. Structural study using aberration-corrected STEM/TEM reveals a rich variety of microstructural phenomena in correlation with the Pb-ordering and chemical inhomogeneity. The superconducting material Cs{sub 0.96}Pb{sub 0.25}Bi{sub 3.75}Te{sub 6.04} with the highest T{sub c} shows a clear ordered structure with a modulation wave vector of q≈a*/2+c*/1.35 on the a–c plane. Our study evidently demonstrates that superconductivity deriving upon doping of narrow-gap semiconductor is a viable approach for exploration of novel superconductors. - Graphical abstract: Bulk superconductivity is discovered in the orthorhombic Cs{sub 0.96}Pb{sub 0.22}Bi{sub 3.80}Te{sub 6.02} materials with the superconducting transition T{sub c}=3.1 K. The compound shows a clear ordered structure with a modulation wave vector of q≈a*/2+c*/1.35 on the a–c plane. - Highlights: • Bulk superconductivity is discovered in the orthorhombic CsPb{sub x}Bi{sub 4−x}Te{sub 6} materials. • The superconducting transition in Cs{sub 0.96}Pb{sub 0.22}Bi{sub 3.80}Te{sub 6.02} occurs at T{sub c}=3.1 K. • Physical property measurements concerning the bulk superconductivity were present. • Structural modulation due to Pb-ordering was observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Extracellular matrix in lung development, homeostasis and disease

Here, the lung's unique extracellular matrix (ECM), while providing structural support for cells, is critical in the regulation of developmental organogenesis, homeostasis and injury-repair responses. The ECM, via biochemical or biomechanical cues, regulates diverse cell functions, fate and phenotype. The composition and function of lung ECM become markedly deranged in pathological tissue remodeling. ECM-based therapeutics and bioengineering approaches represent promising novel strategies for regeneration/repair of the lung and treatment of chronic lung diseases. In this review, we assess the current state of lung ECM biology, including fundamental advances in ECM composition, dynamics, topography, and biomechanics; the role of the ECM in normal and aberrant lung development, adult lung diseases and autoimmunity; and ECM in the regulation of the stem cell niche. We identify opportunities to advance the field of lung ECM biology and provide a set recommendations for research priorities to advance knowledge that would inform novel approaches to the pathogenesis, diagnosis, and treatment of chronic lung diseases.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

High-resolution chemical analysis by STEM-EELS of nanosized oxide particles in a mechanically-alloyed FeCrAl intermetallic

The chemical composition of nanosized oxides has been analysed in a mechanically-alloyed (MA) iron–chromium–aluminium intermetallic containing yttria additions using an aberration-corrected, high-resolution scanning transmission electron microscope (STEM). The oxide particles are seen to contain yttrium and oxygen only, but very little of the matrix metallic elements, while the matrix in the immediate vicinity shows a very low iron content. Possible reasons for the change of matrix composition outside the particle-matrix interface are discussed. - Highlights: • High-resolution chemical analysis of oxide particles was performed using STEM-EELS. • Oxide particles contain Y and O but essentially no elements from the Fe–Cr–Al matrix. • The matrix immediately outside the particles appears to be depleted in Fe. • Diffusion of Y during particle growth possibly transports vacancies to the interface.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A high-resolution analytical scanning transmission electron microscopy study of the early stages of spinodal decomposition in binary Fe–Cr

Spinodal decomposition (SD) is an important phenomenon in materials science and engineering. For example, it is considered to be responsible for the 475 °C embrittlement of stainless steels comprising the bcc (ferrite) or bct (martensite) phases. Structural characterization of the evolving minute nano-scale concentration fluctuations during SD in the Fe–Cr system is, however, a notable challenge, and has mainly been considered accessible via atom probe tomography (APT) and small-angle neutron scattering. The standard tool for nanostructure characterization, viz. transmission electron microscopy (TEM), has only been successfully applied to late stages of SD when embrittlement is already severe. However, we here demonstrate that the structural evolution in the early stages of SD in binary Fe–Cr, and alloys based on the binary, are accessible via analytical scanning TEM. An Fe–36 wt% Cr alloy aged at 500 °C for 1, 10 and 100 h is investigated using an aberration-corrected microscope and it is found that highly coherent and interconnected Cr-rich regions develop. The wavelength of decomposition is rather insensitive to the sample thickness and it is quantified to 2, 3 and 6 nm after ageing for 1, 10 and 100 h, which is in reasonable agreement with prior APT analysis. The concentration amplitude is more sensitive to the sample thickness and acquisition parameters but the TEM analysis is in good agreement with APT analysis for the longest ageing time. These findings open up for combinatorial TEM studies where both local crystallography and chemistry is required. - Highlights: • STEM-EELS analysis was successfully applied to resolve early stage SD in Fe–Cr. • Compositional wavelength measured with STEM-EELS compares well to previous ATP studies. • Compositional amplitude measured with STEM-EELS is a function of experimental parameters. • STEM-EELS allows for combinatorial studies of SD using complementary techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A compositional gradient Ce1−xZrxO2 buffer architecture for producing high-performance YBCO film

Highlights: • The compositional gradient CZO buffer architecture can help improve the biaxial texture of YBCO film. • The high density stacking faults are directly observed via a spherical aberration corrected transmission electron microscope. • The enhanced flux pinning force and current-carrying capacity of YBCO films are achieved as a result of lattice strains. - Abstract: In this work, YBCO films were epitaxially grown on Ce{sub 1−x}Zr{sub x}O{sub 2} (CZO) buffered yttria stabilized zirconia (YSZ) single crystal substrates through a fluorine-free sol-gel process. The influence of two different CZO buffer architectures on the microstructure and superconducting properties of YBCO films was investigated. According to XRD results in combination with (S)TEM analysis, it was confirmed that YBCO film grown on the gradient CZO buffer layer (CZO-G) exhibits better in-plane and out-of-plane texture than YBCO film deposited on the uniform CZO buffer layer (CZO-20). And besides, the superconducting performances especially the current-carrying capacity under magnetic field of the former was much higher than that of the latter, which means that the enhanced flux pinning force will be presented in YBCO film on CZO-G buffer layer. The maximum pinning force of the YBCO film grown on CZO-G buffer architecture is up to 17.67 GN/m{sup 3} @ 65 K. HR-STEM analysis shows that the stacking faults within YBCO matrix gave rise to the considerable nanoscale lattice-strains which may suppress the formation of Copper pairs and produce nanoscale non-superconducting regions served as pinning centers to significantly improve the flux pinning performance of YBCO film. Given the above, it has been implied that high-performance YBCO coated conductor can be developed by using a compositional gradient Ce{sub 1−x}Zr{sub x}O{sub 2} films as buffer architecture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Nanoscale analysis of dispersive ferroelectric domains in bulk of hexagonal multiferroic ceramics

Highlights: • Aberration corrected STEM is used to link ferroelectric properties of vacancy doped multiferroic LuMnO3 ceramics to lattice defects. • Nano-scale perturbation in lattice or chemistry provokes polarization switching or phase shift of ferroelectric domains. • Partial edge dislocations modify rule of 6 in topologically protected 6-fold vortices in hexagonal RMnO3 ceramics. • Chemistry shift/lattice distortions modify ferroelectric properties, domain size and polarization switching in multiferroic. • Change in ferroelectric properties results in modification of magnetic properties in magnetoelectric h-RMnO3 multiferroic. - Abstract: The atomic nature of topologically protected ferroelectric (FE) walls in hexagonal ReMnO{sub 3} oxides (R: Sc, Y, Er, Ho, Yb, Lu) creates an interesting playground to study effects of defects on domain walls. The 6-fold FE vortices in this multiferroic family lose the ordering by the rule of 6 in the presence of partial edge dislocations (PED) besides it can be modified by chemical doping. Therefore, it is essential to comprehend the cross coupling of FE walls and defects or vacancies in the lattice of multiferroics. Atomic resolution STEM is used to explore the correlative response of electrical polarization of FE domains in the presence of defects in multiferroic ceramics. Such level of resolution also allows the study of switching of FE domains on encounter of lattice defects. The driving force behind appearance of dispersed, small FE domains in images of piezo force microscopy is revealed by observation of lattice defects and FE boundaries simultaneously at the nano-scale. Planar defects and FE domain walls play their role of internal interfaces consequently such interplaying duly modifies the magnetic and FE properties of multiferroic oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Remarkable modulation effects of Ag{sup +} ion on fluorescence of Eu{sup 3+} ion doped yttrium phosphate nanophosphors

Highlights: ► Ag{sup +} sensitized YPO{sub 4}:Eu{sup 3+} was synthesized. ► Emission band centered at 612 nm was broadened to 14 nm. ► Ag{sup +} plays a main role for the broadening of emission band of Eu{sup 3+}. ► Emission mechanisms were discussed. - Abstract: Ag{sup +} sensitized YPO{sub 4}:Eu{sup 3+} nanomaterials were successfully synthesized by hydrothermal reaction. The fluorescent spectra indicate that Ag{sup +} ion has remarkable modulation effects on the shape of the emission bands of YPO{sub 4}:Eu{sup 3+}, so that full width at half maximum (FWHM) of the {sup 5}D{sub 0} → {sup 7}F{sub 2} emission of YPO{sub 4}:Eu{sup 3+} is extended to be 14 nm, broader than that (<9 nm) of ever reported Eu{sup 3+}-doped materials. Meanwhile, it is observed that the doping of Ag+ ion leads to the lowering of the intensity ratio of {sup 5}D{sub 0} → {sup 7}F{sub 2} to {sup 5}D{sub 0} → {sup 7}F{sub 1} transition. The analysis demonstrates that doping of Ag{sup +} ion will generate the local lattice aberration and the crystal field variation of Eu{sup 3+} ion and Y{sup 3+} ions due to a fact that the ionic radius (1.31 Å) of Ag{sup +} is obviously larger than that (0.938 Å) of Eu{sup 3+} and that (0.90 Å) of Y{sup 3+}. As a result, the excitation and emission bands of Eu{sup 3+} ion are correspondingly tuned.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Polarity of translation boundaries in antiferroelectric PbZrO{sub 3}

Graphical abstract: Strain-free rigid model and aberration-corrected transmission electron microscopes are used to investigate the polarity of translation boundaries in antiferroelectric PbZrO{sub 3}. - Highlights: • Domain boundaries in antiferroelectric PbZrO{sub 3} show polar and antipolar property. • The antiphase boundary can split into “sub-domains”. • Polarization reversal possibly exists inside the translation boundaries. • Thermal treatment can alter morphology and density of the translation boundaries. - Abstract: The polarity of translation boundaries (TBs) in antiferroelectric PbZrO{sub 3} is investigated. We show that previous experimentally reported polar property of R{sub III-1} type TB can be well approximated by a strain-free rigid model. Based on this, the modeling investigation suggests that there are two additional polar TBs, three antipolar-like TBs and one antipolar antiphase boundary. High-resolution scanning-transmission-electron-microscopy study reveals that the straight R{sub III-1} type TB can split into “sub-domains” with possible polarization reversal, suggesting the occurrence of ferroic orders at the TBs. In addition, dependence of morphology and density of the TBs on thermal treatments is discussed according to our results.

36 MATERIALS SCIENCE↗