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At least 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Diffraction studies of the high pressure phases of GaAs and GaP

High pressure structural phase transitions of GaAs and GaP have been studied by energy dispersive X-ray diffraction with the radiation from the Cornell High Energy Synchrotron Source. GaAs began to transform at 172 + or - 7 kbar to an orthorhombic structure possibly belonging to space group Fmmm. GaP transformed to a tetragonal beta-Sn type phase at 215 + or - 8 kbar. Although pressure transmitting media were used to minimize shear stresses in the specimens, the high pressure diffraction results were interpreted as showing evidence for planar defects in the specimens.

Baublitz, M., Jr.↗
NASA NTRS1992

A new ordered tetragonal phase in the Ti3Al+Nb system

Results are reported from an experimental study of phase stability in a plasma-sprayed Ti3Al+Nb alloy using TEM and electron diffraction techniques. The alloys was produced from Ti3Al+Nb powder via an inductively coupled plasma deposition process. Evidence was found for the ordering of the B2 phase to a structure similar to the DO3-type phase, but with a tetragonal distortion. An ordered tetragonal phase (T) is proposed to account for these observations, and the existence of the B2 - T ordering transformation in the Ti3Al+Nb system is suggested. The T phase can be regarded as a DO3-like phase with a tetragonal distortion. The tegragonality c0/a0 is approximately equal to 1.02, and a0 equals 0.65 +/-0.01 nm.

Hsiung, L. M.↗
NASA NTRS1979

Electronic recording of holograms with applications to holographic displays

The paper describes an electronic heterodyne recording which uses electrooptic modulation to introduce a sinusoidal phase shift between the object and reference wave. The resulting temporally modulated holographic interference pattern is scanned by a commercial image dissector camera, and the rejection of the self-interference terms is accomplished by heterodyne detection at the camera output. The electrical signal representing this processed hologram can then be used to modify the properties of a liquid crystal light valve or a similar device. Such display devices transform the displayed interference pattern into a phase modulated wave front rendering a three-dimensional image.

Claspy, P. C.↗
DOE OSTI2020

Safety-Related Instrumentation and Control Pilot Upgrade (Initial Scoping Phase Implementation Report)

This research report (1) describes the process followed and products developed during the SR I&C Pilot Project Initial Scoping Phase, and (2) captures lessons learned. Exelon Generation and LWRS collaborated to develop a Digital Transformation Strategy as part of a larger Advanced Concept of Operations. The proposed SR I&C Pilot Upgrade provides a foundation stone for this Digital Transformation that will improve plant safety, reliability, and operational performance while lowering plant Total Cost of Ownership (TCO). Initial Scoping Phase activities for this Pilot Project have been performed in accordance with industry processes that have been adapted to better support digital upgrades. These processes include IP-ENG-001, Standard Design Process (SDP), NISP-EN-04, Standard Digital Engineering Process (SDEP), and Electric Power Research Institute (EPRI) Report 3002011816, Digital Engineering Guide (DEG). Completing Initial Scoping Phase Engineering and Operations, Licensing, and Project Management Activities was necessary to sufficiently bound the scope, schedule, and estimated cost of the Project to enable utility management to authorize moving into the Conceptual Design Phase. A significant finding of the Business Case Analysis (BCA) methodology developed and applied as part of this effort was that the growth rate of material costs for sustaining the operation of obsolete SR I&C equipment is accelerating. This directly contributed to the Project Economic Analysis created to justify continuing the Project. Project Initial Scoping Phase lessons learned have also been captured to assist the larger industry in understanding the Digital Transformation Strategy and SR I&C Pilot Project Initial Scoping Phase efforts. This is in keeping with the public/private partnership that has been established between the Department of Energy (DOE) and Exelon for this effort with engagement from the NRC. By addressing first-of-a-kind (FOAK) risks and capturing lessons learned, the SR I&C Pilot Upgrade Project addresses technical, regulatory, and business risks to enable subsequent implementers of similar upgrade.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Safety-Related Instrumentation & Control Pilot Upgrade Initiation Phase Implementation Report

This research report (1) describes the process followed and products developed during the SR I&C Pilot Project Initial Scoping Phase, and (2) captures lessons learned. Exelon Generation and LWRS collaborated to develop a Digital Transformation Strategy as part of a larger Advanced Concept of Operations. The proposed SR I&C Pilot Upgrade provides a foundation stone for this Digital Transformation that will improve plant safety, reliability, and operational performance while lowering plant Total Cost of Ownership (TCO). Initial Scoping Phase activities for this Pilot Project have been performed in accordance with industry processes that have been adapted to better support digital upgrades. These processes include IP-ENG-001, Standard Design Process (SDP) [Reference 2], NISP-EN-04, Standard Digital Engineering Process (SDEP) [Reference 3], and Electric Power Research Institute (EPRI) Report 3002011816, Digital Engineering Guide (DEG). Completing Initial Scoping Phase Engineering and Operations, Licensing, and Project Management Activities was necessary to sufficiently bound the scope, schedule, and estimated cost of the Project to enable utility management to authorize moving into the Conceptual Design Phase. A significant finding of the Business Case Analysis (BCA) methodology developed and applied as part of this effort was that the growth rate of material costs for sustaining the operation of obsolete SR I&C equipment is accelerating. This directly contributed to the Project Economic Analysis created to justify continuing the Project. Project Initial Scoping Phase lessons learned have also been captured to assist the larger industry in understanding the Digital Transformation Strategy and SR I&C Pilot Project Initial Scoping Phase efforts. This is in keeping with the public/private partnership that has been established between the Department of Energy (DOE) and Exelon for this effort with engagement from the NRC. By addressing first-of-a-kind (FOAK) risks and capturing lessons learned, the SR I&C Pilot Upgrade Project addresses technical, regulatory, and business risks to enable subsequent implementers of similar upgrades.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

A spall and diffraction study of nanosecond pressure release across the iron ε-α phase boundary

The extreme response of polycrystalline iron at high pressures and high strain rates is revealed by means of high-power laser pulses. The compression portion of the pulse coupled with x-ray diffraction identifies the expected body-centered cubic (α) to hexagonal close packed (ε) displacive transformation. Upon release, observation shows that the complete reverse transformation takes approximately 8 ns and that the structure returns to its initial microstructural configuration, in a reversible transformation path. This is in good agreement with molecular dynamics (MD) simulations which predict an inverse dependence between transformation time and strain rate. The grain size is reduced from μm to nm range during compression and begins increasing back to the original grain size on decompression. The kinetics of the transition is dictated by heterogenous nucleation as it follows the Johnson-Mehl-Avrami-Kolmogorov equation with the appropriate time exponent of ~1. This is confirmed by MD simulations which also identify profuse twinning and dislocation generation. Here, the tensile pulse generated upon reflection at the free surface is captured by time-resolved free surface velocity measurements from which a peak tensile stress of 7 GPa is obtained, in stark contrast with its quasi-static value of ~200 MPa. At these strain rates, the strength of grain interiors, which is determined by twinning and slip exceeds the strength of the boundaries, and failure initiates preferentially in the latter.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The controlling role of atmosphere in dawsonite versus gibbsite precipitation from tetrahedral aluminate species

In highly alkaline solution, aluminum speciates as the tetrahedrally coordinated aluminate monomer, Al(OH)4- and/or dimer Al2O(OH)62-, yet precipitates as octahedrally coordinated gibbsite (Al(OH)3). This tetrahedral to octahedral transformation governs Al precipitation, which is crucial to worldwide Al production, and to the processing of caustic high-level radioactive wastes. Despite its significance, the transformation pathway remains unknown. Here we explore the roles of atmospheric water and carbon dioxide in mediating the transformation of the tetrahedrally coordinated potassium aluminate dimer salt (K2Al2O(OH)6) to gibbsite versus potassium dawsonite (KAl(CO3)(OH)2). A combination of in-situ attenuated total reflection infrared spectroscopy, ex-situ micro X-ray diffraction, and multivariate curve resolution-alternating least squares chemometrics analysis reveals that humidity plays a key role in the transformation by limiting the amount of alkalinity neutralization by dissolved CO2. Lower humidity favors higher alkalinity and incorporation of carbonate species in the final Al product to form KAl(CO3)(OH)2. Higher humidity enables more acid generation that destabilizes dawsonite and favors gibbsite as the solubility limiting phase. Because the transformation was restricted to occur in thin water films, the results suggest that transition from tetra- to octahedrally coordinated Al does not have to occur in bulk solution, as has often been hypothesized, but may instead appear on the source mineral surface.

Dembowski, Mateusz↗
DOE OSTI2020

Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg 2 TiO 4

Synthetic Mg 2 TiO 4 qandilite was investigated to 50 and 40.4 GPa at room temperature using Raman spectroscopy and X-ray diffraction, respectively. The Raman measurements showed that cubic Mg 2 TiO 4 spinel transforms to a high pressure tetragonal (I4 1 /amd, No.141) phase at 14.7 GPa. Owing to sluggish kinetics at room temperature, the spinel phase coexists with the tetragonal phase between 14.7 and 24.3 GPa. In the X-ray diffraction experiment, transformation of the cubic Mg 2 TiO 4 to the tetragonal structure was complete by 29.2 GPa, ~5 GPa higher than the transition pressure obtained by Raman measurements, owing to slow kinetics. The obtained isothermal bulk modulus of Mg 2 TiO 4 spinel is K T0 = 148(3) GPa when K T0 ’ = 6.6, or K T0 = 166(1) GPa when K T0 ’ is fixed at 4. The isothermal bulk modulus of the high-pressure tetragonal phase is calculated to be 209(2) GPa and V 0 = 270(2) Å 3 when K T0 ’ is fixed at 4, and the volume reduction on change from cubic to tetragonal phase is about 9%. The calculated thermal Grüneisen parameters (γ th ) of cubic and tetragonal Mg 2 TiO 4 phases are 1.01 and 0.63. Based on the radii ratio of spinel cations, a simple model is proposed to predict post-spinel structures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Shape-preserving amorphous-to-crystalline transformation of CaCO3 revealed by in situ TEM

Organisms use inorganic ions and macromolecules to regulate crystallization from amorphous- precursors, endowing natural biominerals with complex morphologies and enhanced properties. The mechanisms by which modifiers enable these shape preserving transformations are poorly understood. We used in situ liquid-phase transmission electron microscopy to follow the evolution from amorphous calcium carbonate to calcite in the presence of additives. A combination of contrast analysis and infrared spectroscopy shows that Mg ions, which are widely present in seawater and biological fluids, alter the transformation pathway in a concentration-dependent manner. The ions bring excess (structural) water into the amorphous bulk so that a direct transformation is triggered by dehydration in the absence of morphological changes. Molecular dynamics simulations suggest Mg-incorporated water induces structural fluctuations, allowing transformation without the need to nucleate a separate crystal. Thus, the obtained calcite retains the original morphology of the amorphous state, biomimetically achieving the morphological control of crystals seen in biominerals

crystallization, biomineralization, calcium carbon↗
NASA NTRS2005

Computing Instantaneous Frequency by normalizing Hilbert Transform

This invention presents Normalized Amplitude Hilbert Transform (NAHT) and Normalized Hilbert Transform(NHT), both of which are new methods for computing Instantaneous Frequency. This method is designed specifically to circumvent the limitation set by the Bedorsian and Nuttal Theorems, and to provide a sharp local measure of error when the quadrature and the Hilbert Transform do not agree. Motivation for this method is that straightforward application of the Hilbert Transform followed by taking the derivative of the phase-angle as the Instantaneous Frequency (IF) leads to a common mistake made up to this date. In order to make the Hilbert Transform method work, the data has to obey certain restrictions.

Huang, Norden E.↗
DOE OSTI2023

Amorphous Mn2SiO4: A potential manganese phase in the stagnant slab

Abstract Tephroite (Mn2SiO4), together with some manganese (Mn)-rich mineral inclusions, has been found in ophiolite-hosted diamonds, possibly originating from Mn-nodules and sediments that were once deposited on the oceanic floor and later subducted into the deep mantle, which provides evidence for oceanic crustal recycling. However, the state and behavior of tephroite under high-pressure and high-temperature conditions remain poorly understood. In this study, we conducted in situ synchrotron single-crystal X-ray diffraction (XRD) and Raman spectroscopy of synthetic tephroite up to ~30 GPa and ~900 K. The XRD and Raman spectroscopy experiments in this study first show that tephroite undergoes a pressure-induced, irreversible, amorphous transformation above ~20 GPa. Temperature (<900 K) is found to be an insignificant factor governing the process of amorphous transformation. Amorphous tephroite may be a potential phase in a rapidly cooling oceanic lithospheric subduction slab stagnating at the bottom of the mantle transition zone.

Geochemistry & Geophysics↗
DOE OSTI2021

A Canonical Transformation to Eliminate Resonant Perturbations. I

We study dynamical systems that admit action-angle variables at leading order, which are subject to nearly resonant perturbations. If the frequencies characterizing the unperturbed system are not in resonance, the long-term dynamical evolution may be integrated by orbit-averaging over the high-frequency angles, thereby evolving the orbit-averaged effect of the perturbations. It is well known that such integrators may be constructed via a canonical transformation, which eliminates the high-frequency variables from the orbit-averaged quantities. An example of this algorithm in celestial mechanics is the von Zeipel transformation. However, if the perturbations are inside or close to a resonance, i.e., the frequencies of the unperturbed system are commensurate; these canonical transformations are subject to divergences. We introduce a canonical transformation that eliminates the high-frequency phase variables in the Hamiltonian without encountering divergences. This leads to a well-behaved symplectic integrator. We demonstrate the algorithm through two examples: a resonantly perturbed harmonic oscillator and the gravitational three-body problem in mean motion resonance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

In-situ synchrotron X-ray diffraction of hydroxyapatite-zirconia composite during conventional and flash sintering

Here, we conducted in-situ X-ray diffraction to study the crystalline phase evolution in hydroxyapatite-zirconia composites during both conventional and flash sintering processes. Additionally, we examined the thermal history and microstructure of the composite under these sintering conditions. Despite both sintering methods reaching similar average temperatures, they yielded distinct results in terms of crystalline phase composition and microstructure. In the flash sintered samples, we observed a complete transformation of hydroxyapatite into α- tricalcium phosphate and a complete tetragonal to cubic phase transition in zirconia. Conversely, the conventionally sintered samples remained practically stable. Notably, the flash sintered samples exhibited needle-like microstructures, which were absent in their conventionally sintered counterparts. This divergence suggests that the application of an electric field plays a role in generating athermal effects during the sintering of hydroxyapatite-zirconia composites.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fast redox switches lead to rapid transformation of goethite in humid tropical soils: A Mössbauer spectroscopy study

Abstract Humid tropical forest soils experience frequent rainfall, which limits oxygen diffusion and creates redox heterogeneity in upland soils. In this study we gauged the effect of short‐term anoxic conditions on Fe mineralogy of relatively Fe‐ and C‐rich surface soils (C/Fe mole ratio ∼5) from a humid tropical forest in Puerto Rico. Soils subjected to 4‐d oxic/anoxic oscillation were characterized by selective chemical extractions, Mössbauer spectroscopy (MBS), and X‐ray diffraction. Chemical extraction data suggested that rapidly switching redox conditions had subtle effects on bulk Fe mineralogy. Mössbauer, on the other hand, indicated that (a) the soil Fe is a mixture of goethites of varying characteristics with minor contributions from ferrihydrite (<5%) and Fe(III)‐organic matter (OM) phases (∼10%), and (b) anoxic conditions rapidly transformed all forms of goethite to relatively stable Fe oxides. Such fast changes in goethite features could be due to rapid depletion and sorption of bio‐released structural Al or sorbed OM onto residual soil components. The rapid temporal changes in MBS parameters and corresponding pore water nominal oxidation state of C values suggest that Fe‐C transformations in these upland tropical soils are complex and intricately coupled. A comprehensive understanding of the fate of Fe, Al, and OM (Fe‐organic moieties) during redox switches and concurrent changes in pore water chemistry is critical for development of robust transport models in humid tropical soils, which are subject to episodic low‐redox events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Effect of magneto-mechanical synergism in the process-structure correlation in Fe–C alloys: A phase-field modeling approach

Applied magnetic fields can alter phase equilibria and kinetics in steels; however, quantitatively resolving how magnetic, chemical, and elastic driving forces jointly influence the microstructure remains challenging. We develop a quantitative magneto-mechanically coupled phase-field model for the Fe–C system that couples a CALPHAD-based chemical free energy with demagnetization-field magnetostatics and microelasticity. Here, the model reproduces single- and multi-particle evolution during the α → γ inverse transformation at 1023 K under external fields up to 20 T, including ellipsoidal morphologies observed experimentally at 8 T. Chemically driven growth is isotropic; a magnetic interaction introduces an anisotropic driving force that elongates γ precipitates along the field into ellipsoids, while elastic coherency promotes faceting, yielding elongated cuboidal or “brick-like” particles under combined magneto-elastic coupling. Growth kinetics increase with C content, and decrease with field strength and misfit strain. Multi-particle simulations reveal dipolar interaction-mediated coalescence for field-parallel neighbors and ripening for field-perpendicular neighbors. Incorporating field-dependent diffusivity from experiment slows kinetics as expected; a first-principles-motivated anisotropic diffusivity correction is estimated to be small (<2%). These results establish a process-structure link for magnetically assisted heat treatments of Fe–C alloys and provide guidance for microstructure control via chemo-magneto-mechanical synergism.

Magnetic field↗
NASA NTRS1987

Method and apparatus for measuring minority carrier lifetime in a direct band-gap semiconductor

A direct band-gap semiconductor is exposed to intensity-modulated photon radiation having a characteristic energy at least as great as the energy gap of the semiconductor. This produces a time dependent concentration of excess charge carriers through the material, producing a luminescence signal modulated at the same frequency as the incident radiation but shifted in phase by an amount related to the lifetime of minority carriers. In a preferred embodiment, the phase shift of the luminescence signal is determined by transforming it to a modulated electrical signal and mixing the electrical signal with a reference signal modulated at the same frequency and having a phase which is known relative to the incident radiation. Minority carrier lifetime is calculated by integrating a direct current component of the mixed signal (F sub dc) over a 2 pi range in phase of the reference signal.

Vonroos, Oldwig↗
NASA NTRS2017

Transformers for Lunar Extreme Environments: Ensuring Long-Term Operations in Regions of Darkness and Low Temperatures: II - Phase

This report shows how solar power could enable robotic operations in permanently shaded regions at lunar poles, to extract water ice and further produce liquid hydrogen and oxygen (LH2/LO2) propellant. The power needs are derived from an Architecture for Human Exploration of Mars based entirely on lunar propellant. The extraction of 10 metric tons of water per day (at 10% water in regolith) requires approx. 0.6 MW thermal power. Additional approx. 2 MW electric power are required to produce 7.5 metric tons of LH2/LO2 propellant per day, as needed by the architecture. To provide power to processing equipment inside Shackleton Crater, optimal locations are determined on the crater rim, from which several reflecting TransFormers (TFs) would redirect sunlight, achieving a combined period of illumination of approx. 99% of the year. A single 40-m diameter reflector could provide up to 1 MW solar power. Inflatable rigidizable tower support structures raise reflectors above ground for better solar exposure. There are trade-offs: e.g., two reflectors at ground level would provide the same combined total illumination as a single tower approx. 100-m tall. Such a TF based on a 100-m tower made with inflatable 2-m beams and 40-m diameter reflectors would be of similar dimensions as an MSL-class rover (approx. 1000 kg, 10 m(exp 3)). A TF-prospector rover combo could be designed and deployed in a Discovery-class mission searching for water. The TransFormers would be nodes of a Lunar Utilities Infrastructure that provides solar power year-round in the proximity of the pole, as well as local data transmission andintermittent direct to earth communications. This infrastructure would be instrumental infacilitating the development of a lunar economy.

fuel↗
NASA NTRS2024

Molecular Dynamics Simulations of Microstructural Effects on Austenite-Martensite Interfaces in NiTi

Formation and migration of austenite-martensite interfaces plays the key role in reversible martensitic transformations of shape memory alloys (SMAs). How these interfaces interact with the SMA microstructure is a primary determining factor in important functional properties such as hysteresis and transformation span. As such, successful microstructural engineering of SMAs requires in-depth knowledge of interface behavior. The rapid nature of martensitic transformations makes experimental observations of moving austenite-martensite interfaces challenging. Molecular dynamics (MD) simulation is a unique tool which can probe the atomic-scale details of austenite-martensite interfaces as they migrate through different microstructures. However, in focusing on the entire transformation process, including the nucleation of new phases, MD studies are usually performed so far from equilibrium that their relevance to experiment is questionable. Here, we demonstrate new MD techniques to generate energetically preferred austenite-martensite interfaces in NiTi under near-equilibrium conditions. The interfaces are semi-coherent, exhibiting a series of structural disconnections, and they can migrate rapidly through single crystals under only small thermodynamic driving forces. In contrast, when interfaces migrate in polycrystals, their motion is impeded by thermoelastic effects as well as changes in orientation relationships at grain boundaries. Microstructures which accumulate large amounts of elastic energy tend to release some fraction through irreversible, hysteresis-inducing mechanisms. We demonstrate that engineering microstructures with less constraints is a viable strategy to produce SMAs with reduced hysteresis and transformation span. Similar thermoelastic and hysteresis-inducing mechanisms also arise when austenite-martensite interfaces encounter precipitates and can be controlled by tuning characteristics of the precipitate distribution.

Gabriel Plummer↗