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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Using a multistate mapping approach to surface hopping to predict the ultrafast electron diffraction signal of gas-phase cyclobutanone

Using the recently developed multistate mapping approach to surface hopping (multistate MASH) method combined with SA(3)-CASSCF(12,12)/aug-cc-pVDZ electronic structure calculations, the gas-phase isotropic ultrafast electron diffraction (UED) of cyclobutanone is predicted and analyzed. After excitation into the n-3s Rydberg state (S2), cyclobutanone can relax through two S2/S1 conical intersections, one characterized by compression of the CO bond and the other by dissociation of the α–CC bond. Subsequent transfer into the ground state (S0) is then achieved via two additional S1/S0 conical intersections that lead to three reaction pathways: α ring-opening, ethene/ketene production, and CO liberation. The isotropic gas-phase UED signal is predicted from the multistate MASH simulations, allowing for a direct comparison to the experimental data. This work, which is a contribution to the cyclobutanone prediction challenge, facilitates the identification of the main photoproducts in the UED signal and thereby emphasizes the importance of dynamics simulations for the interpretation of ultrafast experiments.

Chemistry↗
DOE OSTI2025

Site-specific nanoscale characterization of zirconium hydrides in the hydride rim structure of hydrogen-charged zircaloy-4 cladding

Zircaloy-4 cladding tubes were hydrogen-charged using a static pressure hydrogen charging method to experimentally produce a zirconium-hydride rim structure similar to that observed in Zircaloy-4 cladding tubes after operation in commercial light-water nuclear reactors. Detailed characterization was performed using electron energy loss spectroscopy (EELS) and four-dimensional scanning transmission electron microscopy (4D-STEM). By mapping the position of the plasmon peak in the low-loss EELS spectrum, it was determined that the zirconium hydrides formed were predominantly solid δ-phase zirconium hydrides. 4D-STEM was used to generate phase and strain maps at nanoscale. The interactions between two zirconium hydride platelets less than 200 nm apart leads to the localized lattice rotations and possible phase change, revealing a potential hydride growth mechanism.

4D-STEM↗
NASA NTRS1987

Microgravity fluid management in two-phase thermal systems

Initial studies have indicated that in comparison to an all liquid single phase system, a two-phase liquid/vapor thermal control system requires significantly lower pumping power, demonstrates more isothermal control characteristics, and allows greater operational flexibility in heat load placement. As a function of JSC's Work Package responsibility for thermal management of space station equipment external to the pressurized modules, prototype development programs were initiated on the Two-Phase Thermal Bus System (TBS) and the Space Erectable Radiator System (SERS). JSC currently has several programs underway to enhance the understanding of two-phase fluid flow characteristics. The objective of one of these programs (sponsored by the Microgravity Science and Applications Division at NASA-Headquarters) is to design, fabricate, and fly a two-phase flow regime mapping experiment in the Shuttle vehicle mid-deck. Another program, sponsored by OAST, involves the testing of a two-phase thermal transport loop aboard the KC-135 reduced gravity aircraft to identify system implications of pressure drop variation as a function of the flow quality and flow regime present in a representative thermal system.

Parish, Richard C.↗
DOE OSTI2024

Anomalous Landau Level Gaps Near Magnetic Transitions in Monolayer WSe 2

First-order phase transitions produce abrupt changes to the character of both ground and excited electronic states. Here we conduct electronic compressibility measurements to map the spin phase diagram and Landau level (LL) energies of monolayer WSe 2 in a magnetic field. We resolve a sequence of first-order phase transitions between completely spin-polarized LLs and states with LLs of both spins. Unexpectedly, the LL gaps are roughly constant over a wide range of magnetic fields below the transitions, which we show reflects spin-polarized ground states with opposite spin excitations. These transitions also extend into compressible regimes, with a sawtooth boundary between full and partial spin polarization. We link these observations to the important influence of LL filling on the exchange energy beyond a smooth density-dependent contribution. Our results show that WSe 2 realizes a unique hierarchy of energy scales where such effects induce reentrant magnetic phase transitions tuned by density and magnetic field. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Facilitating the exploitation of ERTS imagery using snow enhancement techniques

The author has identified the following significant results. The procedure for conducting a regional geological mapping program utilizing snow-enhanced ERTS-1 imagery has been summarized. While it is recognized that mapping procedures in geological programs will vary from area to area and from geologist to geologist, it is believed that the procedure tested in this project is applicable over a wide range of mapping programs. The procedure is designed to maximize the utility and value of ERTS-1 imagery and aerial photography within the initial phase of geological mapping programs. Sample products which represent interim steps in the mapping formula (e.g. the ERTS Fracture-Lineament Map) have been prepared. A full account of these procedures and products will be included within the Snow Enhancement Users Manual.

Wobber, F. J.↗
NASA NTRS2004

A Deconvolution Approach for the Mapping of Acoustic Sources (DAMAS) Determined from Phased Microphone Arrays

Current processing of acoustic array data is burdened with considerable uncertainty. This study reports an original methodology that serves to demystify array results, reduce misinterpretation, and accurately quantify position and strength of acoustic sources. Traditional array results represent noise sources that are convolved with array beamform response functions, which depend on array geometry, size (with respect to source position and distributions), and frequency. The Deconvolution Approach for the Mapping of Acoustic Sources (DAMAS) method removes beamforming characteristics from output presentations. A unique linear system of equations accounts for reciprocal influence at different locations over the array survey region. It makes no assumption beyond the traditional processing assumption of statistically independent noise sources. The full rank equations are solved with a new robust iterative method. DAMAS is quantitatively validated using archival data from a variety of prior high-lift airframe component noise studies, including flap edge/cove, trailing edge, leading edge, slat, and calibration sources. Presentations are explicit and straightforward, as the noise radiated from a region of interest is determined by simply summing the mean-squared values over that region. DAMAS can fully replace existing array processing and presentations methodology in most applications. It appears to dramatically increase the value of arrays to the field of experimental acoustics.

Brooks, Thomas F.↗
NASA NTRS2006

A Deconvolution Approach for the Mapping of Acoustic Sources (DAMAS) Determined from Phased Microphone Arrays

Current processing of acoustic array data is burdened with considerable uncertainty. This study reports an original methodology that serves to demystify array results, reduce misinterpretation, and accurately quantify position and strength of acoustic sources. Traditional array results represent noise sources that are convolved with array beamform response functions, which depend on array geometry, size (with respect to source position and distributions), and frequency. The Deconvolution Approach for the Mapping of Acoustic Sources (DAMAS) method removes beamforming characteristics from output presentations. A unique linear system of equations accounts for reciprocal influence at different locations over the array survey region. It makes no assumption beyond the traditional processing assumption of statistically independent noise sources. The full rank equations are solved with a new robust iterative method. DAMAS is quantitatively validated using archival data from a variety of prior high-lift airframe component noise studies, including flap edge/cove, trailing edge, leading edge, slat, and calibration sources. Presentations are explicit and straightforward, as the noise radiated from a region of interest is determined by simply summing the mean-squared values over that region. DAMAS can fully replace existing array processing and presentations methodology in most applications. It appears to dramatically increase the value of arrays to the field of experimental acoustics.

Brooks, Thomas F.↗
NASA NTRS1978

Optimum receiver structures for phase-multiplexed modulations

A MAP (maximum a posteriori) estimation loop is derived for a QPSK signal and, by suitable approximation to the nonlinearity which arises as a consequence of the MAP theory, is reconfigured with practical realizations that are valid for high and low SNRs. In particular, it is shown that by approximating the hyperbolic tangent nonlinearity in the MAP estimation loop by the first two terms in its power series, an interesting practical realization of this loop results which applies at low SNRs. The error signal in this loop is formed by multiplying the error signal and lock detector output signal of a conventional biphase Costas loop. A generalized linear in-phase channel configuration is proposed which allows carrier reconstruction from an unbalanced QPSK signal at all ratios of data rates and powers in the two channels, even in the limit as these ratios simultaneously approach unity, i.e., balanced quadriphase.

Simon, M. K.↗
NASA NTRS1973

Evaluation of ERTS-1 imagery for mapping Quaternary deposits and landforms in the Great Plains and Midwest

The author has identified the following significant results. The main landform associations and larger landforms are readily identifiable on the better images and commonly the gross associations of surficial Quaternary deposits also can be determined primarily by information on landforms and soils (obtained by analysis of stream dissection and drainage and stream-divide patterns, land use patterns, etc.). Maps showing the Quaternary geologic-terrain units that can be distinguished on the ERTS-1 images are being prepared for study areas in Illinois, Iowa, Missouri, Kansas, Nebraska, and South Dakota. Preliminary maps of 1:1,000,000 scale are included for three of the study areas: the Grand Island and Fremont, Nebraska, and the Davenport, Iowa-Illinois, 1 deg x 2 deg quadrangles. These maps exemplify the first phase of investigations, which consists of identifying and mapping landform and land use characteristics and geologic-surficial materials directly from the ERTS-1 images alone, with no additional information. These maps show that commonly the boundaries of geologic-terrain units can be delineated more accurately on ERTS-1 images than on topographic maps at 1:250,000 scale.

Morrison, R. B.↗
NASA NTRS1973

Evaluation of ERTS-1 imagery for mapping Quaternary deposits and landforms in the Great Plains and Midwest

The author has identified the following significant results. The main landform associations and larger landforms are readily identifiable on the better images and commonly the gross associations of surficial Quaternary deposits also can be differentiated, primarily by information on landforms and soils. Maps showing the Quaternary geologic-terrain units that can be differentiated from the ERTS-1 images are being prepared for study areas in Illinois, Iowa, Missouri, Kansas, Nebraska, and South Dakota. Preliminary maps at 1:1 million scale are given of two of the study areas, the Peoria and Decatur, Illinois, 1 deg x 2 quadrangles. These maps exemplify the first phase of investigations, which consists of identifying and mapping landform and land use characteristics and geologic-surficial materials directly from ERTS-1 images alone, without input of additional data. These maps shown that commonly the boundaries of geologic-terrain units can be identified more accurately on ERTS-1 images than on topographic maps of 1:250,000 scale. From analysis of drainage patterns, stream-divide relations, and tone and textural variations on the ERTS-1 images, the trends of numerous moraines of Wisconsinan and possibly some of Illinoian age were mapped. In the Peoria study area the trend of a buried valley of the Mississippi River is revealed.

Morrison, R. B.↗
DOE OSTI2020

STAR Heavy-ion results

The exploration of the Quantum Chromodynamics (QCD) phase diagram has been one of the main drivers of contemporary nuclear physics. Heavy-ion collisions provide a powerful tool to explore phase structures of strongly interacting hot and dense nuclear matter called Quark–Gluon Plasma (QGP). The Relativistic Heavy Ion Collider (RHIC) is uniquely suited to map the QCD phase diagram by varying the energy of collisions, as well as nuclei species. These proceedings discuss the most recent results from the STAR experiment at RHIC and future plans.

Physics↗
DOE OSTI2025

Microstructurally Strained Pyrochlore–Perovskite Biphasic Electrocatalysts for the Oxygen Evolution Reaction

Efficiency of water splitting for hydrogen production is often limited by the sluggish kinetics of multiple electronic transfers required in the heterogeneous oxygen evolution reaction (OER). Catalyst design for reducing the high OER overpotential remains a major scientific challenge. Lattice-strain engineering, a method for tuning the electronic structure and surface geometric configuration of active sites, may greatly affect the interaction between adsorbates and catalytic surfaces for high activity and stability. Here, in this study, we present the synthesis of biphasic oxides of YPrSrRuMnO x , which consists of distinct phases of Y 2 Ru 2 O 7 pyrochlore and (Pr 0.7 Sr 0.3 )MnO 3 perovskite, and the development of a suitable analytical approach to study the strain–catalytic property relationship. Linear sweep voltammetry results reveal that the biphasic oxide exhibits approximately 3.1 times greater mass activity and 2.4 times larger turnover frequency (TOF) than single-phase Y 2 Ru 2 O 7 in the 0.1 M HClO 4 electrolyte. The biphasic catalyst is also about 3 times more stable than the single-phase oxide under acidic conditions. X-ray photoelectron spectroscopy, nitrogen isotherm, and electrochemical surface area analyses indicate that the oxidation state, specific surface area, and electrochemical surface area do not cause enough difference in the observed enhancement of OER performance. We examined the effects of microstrain on electrocatalysis, originating from lattice mismatch between different phases, using three different structural models. Specifically, we compared the Williamson–Hall method, standard stress–strain analysis, and Rietveld refinement in analyzing the structure–property relationship. Strain mapping using geometric phase analysis (GPA) further revealed significant microstrain and lattice dislocations localized near phase boundaries in the biphasic oxide, in contrast to the uniform strain in single-phase materials. The results reveal that the increased microstrain correlates well with the improved OER performance, as the biphasic oxide catalyst exhibits 2–3 times greater microstrain than Y 2 Ru 2 O 7 pyrochlore.

electrocatalysts↗
DOE OSTI2021

Future Physics Perspectives on the Equation of State from Heavy Ion Collisions to Neutron Stars

With the computational power and algorithmic improvements available today, the ongoing STAR/RHIC and HADES/GSI experiments, the future FAIR and NICA facilities becoming operational, and the new precise measurements from NICER and LIGO/VIRGO, the high-energy nuclear physics and astrophysics communities are in the unique position to set very stringent constraints on the equation of state of strongly interacting matter. Here, we review the state-of-the-art of different approaches used in the description of hot and ultradense baryonic matter in and out of equilibrium, and discuss the regions in the phase diagram where heavy-ion collisions and neutron star mergers can overlap. Future perspectives are discussed to help define a comprehensive, multi-disciplinary strategy to map out the phase diagram of strongly interacting matter from heavy ion collisions to neutron stars.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Emergent chirality in a polar meron to skyrmion phase transition

Polar skyrmions are predicted to emerge from the interplay of elastic, electrostatic and gradient energies, in contrast to the key role of the anti-symmetric Dzyalozhinskii-Moriya interaction in magnetic skyrmions. Here, we explore the reversible transition from a skyrmion state (topological charge of –1) to a two-dimensional, tetratic lattice of merons (with topological charge of –1/2) upon varying the temperature and elastic boundary conditions in [(PbTiO 3 ) 16 /(SrTiO 3 ) 16 ] 8 membranes. This topological phase transition is accompanied by a change in chirality, from zero-net chirality (in meronic phase) to net-handedness (in skyrmionic phase). We show how scanning electron diffraction provides a robust measure of the local polarization simultaneously with the strain state at sub-nm resolution, while also directly mapping the chirality of each skyrmion. Using this, we demonstrate strain as a crucial order parameter to drive isotropic-to-anisotropic structural transitions of chiral polar skyrmions to non-chiral merons, validated with X-ray reciprocal space mapping and phase-field simulations.

42 ENGINEERING↗
DOE OSTI2023

Fluctuation cepstral scanning transmission electron microscopy of mixed-phase amorphous materials

Four-dimensional scanning transmission electron microscopy (4D-STEM) is a versatile analytical tool for characterizing materials structural properties. However, extending such analysis to disordered materials is challenging, especially in technologically important samples with mixed ordered and disordered phases. Here, in this work, we present a new 4D-STEM method, called fluctuation cepstral STEM (FC-STEM), based on the fluctuation analysis of cepstral transform of diffraction patterns. The peaks in the associated transformation relate to inter-atomic distances in a thin sample. By varying the real-space range over which fluctuations are calculated, distinct ordered and disordered phases can be mapped in a diffractive image reconstruction. We demonstrate the principles of FC-STEM by characterizing a silicon anode, harvested from a cycled lithium-ion battery. A mixture of amorphous and nanocrystalline silicon, graphitic carbon, and electrolyte by-products is identified and mapped. Comparisons with conventional electron imaging and energy-dispersive X-ray spectroscopy show that FC-STEM is highly effective for the structure determination of mixed-phase amorphous materials.

36 MATERIALS SCIENCE↗
NASA NTRS1982

The origin of the Kirkwood gaps - A mapping for asteroidal motion near the 3/1 commensurability

A mapping of the phase space onto itself with the same low-order resonance structure as the 3/1 commensurability in the planar-elliptic restricted three-body problem is obtained. This mapping is about 1,000 times faster than the usual method of numerically integrating the averaged equations of motion. It exhibits some surprising behavior that might provide a key to the origin of the Kirkwood gaps. It is noted that a test asteroid placed in the gap may evolve for a million years with low eccentricity (less than 0.05) and then suddenly jump to large eccentricity (greater than 0.3), becoming a Mars crosser. The removal of the asteroid by a close encounter with Mars would then be possible. As a first test of this hypothesis, a distribution of 300 test asteroids in the area of the 3/1 commensurability was evolved for two million years. When the Mars crossers are removed, the distribution of initial conditions reveals a gap at the location of the 3/1 Kirkwood gap.

Wisdom, J.↗
DOE OSTI2020

Soluble limit and criticality of fermions in $\mathbb Z_2$ gauge theories

Quantum information theory and strongly correlated electron systems share a common theme of macroscopic quantum entanglement. In both topological error correction codes and theories of quantum materials (spin liquid, heavy fermion and high-$T_c$ systems), entanglement is implemented by means of an emergent gauge symmetry. Inspired by these connections, in this paper we introduce a simple model for fermions moving in the deconfined phase of a $\mathbb Z_2$ gauge theory by coupling Kitaev's toric code to mobile fermions. This permits us to exactly solve the ground state of this system and map out its phase diagram. Reversing the sign of the plaquette term in the toric code permits us to tune the ground state between an orthogonal metal and an orthogonal semimetal in which gapless quasiparticles survive despite a gap in the spectrum of original fermions. The small-to-large Fermi surface transition between these two states occurs in a stepwise fashion with multiple intermediate phases. By using a diagrammatic technique, we are able to explore physics beyond the integrable point to examine various instabilities of the deconfined phase and to derive the critical theory at the transition between deconfined and confined phases. We outline how the fermionic toric code can be implemented as a quantum circuit, thus providing an important link between quantum materials and quantum information theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗