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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Dislocation content of grain boundary phase junctions and its relation to grain boundary excess properties

In this work, we analyze the dislocation content of grain boundary (GB) phase junctions, i.e., line defects separating two different GB phases coexisting on the same GB plane. While regular GB disconnections have been characterized for a variety of interfaces, GB phase junctions formed by GBs with different structures and different numbers of excess atoms have not been previously studied. We apply a general Burgers circuit analysis to calculate the Burgers vectors b of junctions in two Σ5 Cu boundaries previously simulated with molecular dynamics. The Burgers vectors of these junctions cannot be described by the displacement shift complete (DSC) lattice alone. We show that, in general, the normal component of b is not equal to the difference in the GB excess volumes but contains another contribution from the numbers of GB atoms per unit area ΔN* required to transform one GB phase into another. In the boundaries studied, the latter component dominates and even changes the sign of b. We derive expressions for the normal and tangential components of b in terms of the DSC lattice vectors and the non-DSC part due to ΔN* and additional GB excess properties, including excess volume and shears. These expressions provide a connection between GB phase transformations driven by the GB free energy difference and the motion of GB junctions under applied normal and shear stresses. The proposed analysis quantifies b and therefore makes it possible to calculate the elastic part of the energy of these defects, evaluate their contribution to the nucleation barrier during GB phase transformations, and treat elastic interactions with other defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Retaining Geochemical Signatures during Aragonite-Calcite Transformation at Hydrothermal Conditions

Transformation of aragonite, a mineral phase metastable at Earth’s surface, to calcite widely occurs in both sedimentary and metamorphic systems with the presence of an aqueous phase. The transformation process can affect geochemical signatures of aragonite (a protolith). This study focused on quantification of the retention of Mg/Ca and Sr/Ca ratios, and δ18O during the transformation process as well as evaluation of the transformation rate. To investigate the effect of transformation from aragonite to calcite on elemental and stable isotope ratios, we conducted a series of experiments in NaCl solutions at temperatures between 120 and 184 °C. Two additional experiments at 250 °C were conducted to estimate the transformation rate of aragonite to calcite. Protolith materials consist of (1) synthetic (Mg; Sr-bearing or non-Mg; Sr bearing) needle-shaped microcrystals of aragonite (<5 µm in size) and (2) larger chips (>100 µm in size) of natural aragonite. X-ray diffraction (XRD) showed that microcrystals successfully transformed to calcite within 30 h and scanning electron microscopy (SEM) yielded a change in the crystal size to >10 µm in rhombohedral shape. Electron backscatter diffraction (EBSD) of the larger aragonite chips showed that transformation to randomly oriented calcite occurred at the rims and along the cracks while the core retained an aragonite crystal structure. Isotope-ratio mass spectrometry (IRMS) analyses showed that calcite δ18O was controlled by temperature and δ18O of the solution. The obtained calibration curve of isotope fractionation factor versus temperature is consistent with other studies. Inductively coupled plasma optical emission spectroscopy (ICP-OES) analyses showed that calcite partially or completely retained Mg/Ca and Sr/Ca ratios through the transformation.

58 GEOSCIENCES↗
DOE OSTI2024

Electron-induced chemical transformation of vapor-phase synthesized hybrid resist materials for EUV and beyond EUV lithography

Here, in this study, we utilize an in situ Fourier transform infrared (FTIR) spectroscopy chamber equipped with an electron flood gun to comprehensively investigate the electron-induced chemical transformations in advanced inorganic–organic hybrid resist thin films. The characteristics of the electron gun were assessed, showing a detectable current decrease with increasing Faraday cup bias voltage, confirming that the electron energies impacting the sample were within the expected range. This unique FTIR system was applied to study two hybrid resist thin-film systems, Al–HQ and Zn–HQ, both exhibiting saturation growth characteristics at 150 °C. Results revealed that Al–HQ demonstrated superior electron sensitivity compared to Zn–HQ at energies ≤ 100 eV. Chemical changes observed were consistent with previous findings, underscoring the potential of this methodology to elucidate exposure mechanisms. This research contributes to the fundamental understanding necessary for the development of advanced resist materials for the next-generation nanolithography applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Metaplectic geometrical optics for modeling caustics in uniform and non-uniform media

As an approximate theory that is highly regarded for its computational efficiency, geometrical optics (GO) is widely used for modeling waves in various areas of physics. However, GO fails at caustics, which significantly limits its applicability. A new framework, called metaplectic geometrical optics (MGO), has recently been developed that allows caustics of certain types to be modeled accurately within the GO framework. Here, we extend MGO to the most general case. Further, to illustrate our new theory, we also apply it to several sample problems, including calculations of two-dimensional wavefields near fold and cusp caustics. In contrast with traditional GO solutions, the corresponding MGO solutions are finite everywhere and approximate the true wavefield well near these caustics.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1971

Acquisition and performance of a problem-solving skill.

The acquisition of skill in the performance of a three-phase code transformation task (3P-COTRAN) was studied with 20 subjects who solved 27 3P-COTRAN problems during each of 8 successive sessions. The purpose of the study was to determine the changes in the 3P-COTRAN factor structure resulting from practice, the distribution of practice-related gains in performance over the nine measures of the five 3P-COTRAN factors, and the effects of transformation complexities on the 3P-COTRAN performance of subjects. A significant performance gain due to practice was observed, with improvements in speed continuing even when accuracy reached asymptotic levels. Transformation complexity showed no effect on early performances but the 3- and 4-element transformations were solved quicker than the 5-element transformation in the problem-solving Phase III of later skilled performances.

Morgan, B. B., Jr.↗
NASA NTRS1982

Combinational logic for generating gate drive signals for phase control rectifiers

Control signals for phase-delay rectifiers, which require a variable firing angle that ranges from 0 deg to 180 deg, are derived from line-to-line 3-phase signals and both positive and negative firing angle control signals which are generated by comparing current command and actual current. Line-to-line phases are transformed into line-to-neutral phases and integrated to produce 90 deg phase delayed signals that are inverted to produce three cosine signals, such that for each its maximum occurs at the intersection of positive half cycles of the other two phases which are inputs to other inverters. At the same time, both positive and negative (inverted) phase sync signals are generated for each phase by comparing each with the next and producing a square wave when it is greater. Ramp, sync and firing angle controls signals are than used in combinational logic to generate the gate firing control signals SCR gate drives which fire SCR devices in a bridge circuit.

Dolland, C. R.↗
NASA NTRS2011

Phase-Shifting Zernike Interferometer Wavefront Sensor

The canonical Zernike phase-contrast technique1,2,3,4 transforms a phase object in one plane into an intensity object in the conjugate plane. This is done by applying a static pi/2 phase shift to the central core (approx. lambda/D) of the PSF which is intermediate between the input and output planes. Here we present a new architecture for this sensor. First, the optical system is simple and all reflective. Second, the phase shift in the central core of the PSF is dynamic and or arbitrary size. This common-path, all-reflective design makes it minimally sensitive to vibration, polarization and wavelength. We review the theory of operation, describe the optical system, summarize numerical simulations and sensitivities and review results from a laboratory demonstration of this novel instrument

wavefront sensing↗
DOE OSTI2026

Intrinsic topological Weyl phase transition induced by a magnetostructural transformation in a kagome magnet

Topological phase transitions provide a unique window into the interplay between structure, magnetism, and Weyl physics in magnetic Weyl semimetals. However, realizing an intrinsic Weyl phase transition between two distinct Weyl states near room temperature remains challenging. Here, we demonstrate that a magnetostructural transition effectively induces such a transition in the kagome magnet Mn3Ga. High-resolution neutron diffraction, magnetization characterizations and first-principles calculations reveal that Mn3Ga undergoes a chiral antiferromagnetic transition below 485 K, followed by a magnetostructural transition to a monoclinic structure with highly canted antiferromagnetic order near room temperature. These cooperative changes in lattice and magnetic symmetries reorganize Weyl nodes, driving a transition from a primary type-II Weyl state to a distinct Weyl state, accompanied by dramatic variations in the anomalous Hall effect and appearance of topological Hall effect. Our findings open a new pathway for discovering novel topological Weyl states and advancing potential spintronic applications.

Yang, Tsung-Han [ORNL] (ORCID:000000030186302X)↗
DOE OSTI2017

Structural, optical, and electrical properties of phase-controlled cesium lead iodide nanowires

Cesium lead iodide (CsPbI 3 ), in its black perovskite phase, has a suitable bandgap and high quantum efficiency for photovoltaic applications. However, CsPbI 3 tends to crystalize into a yellow non-perovskite phase, which has poor optoelectronic properties, at room temperature. Therefore, controlling the phase transition in CsPbI 3 is critical for practical application of this material. Here we report a systematic study of the phase transition of one-dimensional CsPbI 3 nanowires and their corresponding structural, optical, and electrical properties. We show the formation of perovskite black phase CsPbI 3 nanowires from the non-perovskite yellow phase through rapid thermal quenching. Post-transformed black phase CsPbI 3 nanowires exhibit increased photoluminescence emission intensity with a shrinking of the bandgap from 2.78 to 1.76 eV. The perovskite nanowires were photoconductive and showed a fast photoresponse and excellent stability at room temperature. Finally, these promising optical and electrical properties make the perovskite CsPbI 3 nanowires attractive for a variety of nanoscale optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructure characterization and thermal stability of TC11/Ti2AlNb joints during thermal exposure

Highlights: • Mechanical properties of TC11/Ti{sub 2}AlNb deteriorate due to coarsening of O and α{sub s}. • Thermal stability of α{sub s} phase is lower than that of O phase during exposure. • A relationship was found between the reduction of area and phase thickness. - Abstract: TC11/Ti{sub 2}AlNb welding joints undergoing hot deformation were thermally exposed at the range of 500–700 °C for 100, 200 and 500 h. In present research, typical microstructures of five different zones of the joints were investigated, fusion zone, two interfaces and two base alloys included. The microstructures of fusion zone, Ti{sub 2}AlNb-based alloy and the interface between them were characterized by the coarsening of O phase during thermal exposure, while those of TC11 alloy and the interface between it and fusion zone featured the coarsening of α{sub s} phase. The transformation from B2 to β and O phase was stifled below 600 °C and Ti{sub 2}AlNb-based alloy thus was verified to be stable at this temperature range. α{sub s} phase was stable during exposure at 500 °C. When exposed above 600 °C, α{sub s} phase coarsened by at least 52% with the extension of holding time. Due to the low thermal stability of α{sub s} phase compared with that of O phase, the fracture position of the samples tested at room temperature moved from fusion zone to TC11 alloy when temperature rose. In spite of different thermal exposure conditions, the samples tested at 300 and 500 °C all fractured at TC11 alloy for the severe coarsening of α{sub s} phase. The decrease of interfacial area resulting from the coarsening of O and α{sub s} phases facilitated the dislocation slipping and the strength of joints thus deteriorated. The mechanical properties of TC11/Ti{sub 2}AlNb joints measured at room temperature, 300 and 500 °C were all correlated with the lamellar thickness of O and α{sub s} phases.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Structural stability of the Li-ion conductor Li7La3Zr2O12 investigated by high-pressure in-situ X-ray diffraction and Raman spectroscopy

Highlights: • Lithium ion conductor of Garnet-related-type structure Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12}. • Conversion(M.E.) • High-pressure behavior of Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} is investigated up to 70 GPa. • High pressure in-situ X-ray diffraction measurements and Raman spectroscopy. • Tetragonal Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} transforms to high-pressure cubic one under high pressure. - Abstract: The high-pressure behavior of Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} (LLZO) with a garnet-related structure has been investigated for the first time by high pressure in situ X-ray diffraction measurements and Raman spectroscopy using a diamond anvil cell. It was found that the tetragonal LLZO transforms to the high-pressure cubic phase (HP-c-LLZO) at 71.8 GPa in a N{sub 2} medium and at 25.8 GPa in the absence of pressure mediums. Uniaxial compression in the absence of pressure mediums induced the phase transition at much lower pressures than in the hydrostatic case when N{sub 2} was used as the pressure medium. High pressure in situ Raman spectroscopy suggested that the Li coordination in HP-c-LLZO was different from that reported in cubic LLZO, which had been stabilized by doping Al at ambient pressure and room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Phase estimation algorithm for the multibeam optical metrology

Unitary Fourier transform lies at the core of the multitudinous computational and metrological algorithms. Here we show experimentally how the unitary Fourier transform-based phase estimation protocol, used namely in quantum metrology, can be translated into the classical linear optical framework. The developed setup made of beam splitters, mirrors and phase shifters demonstrates how the classical coherence, similarly to the quantum coherence, poses a resource for obtaining information about the measurable physical quantities. Our study opens route to the reliable implementation of the small-scale unitary algorithms on path-encoded qudits, thus establishing an easily accessible platform for unitary computation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Atomic-Force Microscopy Probe-Activated Morphological Transformations in a Nanophase Copper Wetting Layer on Silicon

The phase transition of the nanophase Cu{sub 2}Si wetting layer on a Si(001) substrate to more stable Cu silicide has been selectively activated by atomic-force microscopy in air. The transition is accompanied by an increase in the lateral size and height of grains and a decrease in their density. The effect that has been identified can be used to form ordered nanoisland ensembles and in nanolithography.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1984

Crystallization of heavy metal fluoride glasses

The kinetics of crystallization of a number of fluorozirconate glasses were studied using isothermal and dynamic differential scanning calorimetry and X-ray diffraction. The addition of the fluorides LiF, NaF, AlF3, LaF3 to a base glass composition of ZrF4-BaF2 reduced the tendency to crystallize, probably by modifying the viscosity-temperature relation. ZrF4-BaF2-LaF3-AlF3-NaF glass was the most stable against devitrification and perhaps is the best composition for optical fibers with low scattering loss. Some glasses first crystallize out into metastable beta-BaZr2F10 and beta-BaZrF6 phases, which transform into the most stable alpha-phases when heated to higher temperatures. The size of the crystallites was estimated to be about 600 A from X-ray diffraction.

Bansal, Narottam P.↗
DOE OSTI2018

Ion irradiation induced nucleation and growth of nanoparticles in amorphous silicon carbide at elevated temperatures

Ion irradiation induced crystallization in as-deposited amorphous SiC films is investigated using grazing-angle incidence x-ray diffraction (GIXRD), transmission electron microscopy (TEM) and Raman spectroscopy. Irradiation with 5 MeV Xe to fluence of 115 Xe/nm2 at 700 K results in a homogenous distribution of 3C-SiC grains with an average crystallite size of ~5.7 nm over the entire film thickness (~1 µm). The nucleation and growth processes exhibit a weak dependence on dose in displacements per atom (dpa) in the dose range from 6 to 20 dpa. A transformation of homonuclear C-C bonds from sp3 to sp2 hybridization is observed in the irradiated films, which may be partly responsible for the observed grain size saturation. The results from this study may have a significant impact on synthesis of nanograins in amorphous SiC and other similar materials with effective control of grain size and density by ion irradiation.

phase transformation, SiC, ion irradiation↗
DOE OSTI2023

Nanolamellar phase transition in an additively manufactured eutectic high-entropy alloy under high pressures

Much is unknown about how phase transitions link to micro-/nano-structures in high-entropy systems, especially under extreme pressure and temperature conditions. This work studies the evolution of dual-phase nanolamellar eutectic high-entropy alloy phases of AlCoCrFeNi 2.1 generated by laser powder-bed fusion (L-PBF) for pressures up to 42 GPa. We compare quasi-hydrostatic high pressure synchrotron x-ray diffraction studies on L-PBF printed cylindrical samples up to 5.5 GPa (large-volume Paris–Edinburgh cell) to those carried out on an L-PBF printed foil in a diamond anvil cell where the pressure reached 42 GPa. Our results show that the initially alternating face-centered cubic (FCC) and body-centered cubic (BCC) nanolamellar structure of AlCoCrFeNi 2.1 transformed into single-phase FCC nanolamellae under high pressure with BCC–FCC phase transformation completion at 21 ± 3 GPa. Our results indicate a diffusionless BCC–FCC transformation in this additively manufactured far-from-equilibrium microstructure and demonstrate that the FCC phase is stable up to very high pressures. The measured equation of state for the FCC phase of AlCoCrFeNi 2.1 is presented up to 42 GPa and shows excellent agreement between the data obtained in large-volume press and diamond anvil cell experiments.

36 MATERIALS SCIENCE↗