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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

High-pressure phase transitions of clinoenstatite

Clinoenstatite (Mg 2 Si 2 O 6 ) undergoes a well-known phase transition from a low-pressure form (LPCEN, space group P2 1 /c ) to a high-pressure form (HPCEN, space group C2/c ) at similar to ~ 6 GPa. High-pressure structure refinements of HPCEN were carried out based on single-crystal X-ray diffraction experiments between 9.5 and 35.5 GPa to determine its P-V equation of state and structural evolution over an expanded pressure range relevant to pyroxene metastability. The best-fit isothermal equation of state to our data combined with the five data points between 5.34 and 7.93 GPa from Angel and Hugh-Jones (1994) yields a second-order Birch-Murnaghan equation with K T0 = 121(2) GPa and V 0 = 403.9(5) Å 3 (with $K^{'}_{T0}$ = 4 implied). Further reduction of misfit upon fitting a third-order Birch-Murnaghan equation is not significant at the 90% confidence level. At ~45 GPa, a transition from HPCEN to a P21/c -structured polymorph (HPCEN2) was observed in our study, which is isostructural to the P2 1 /c phase recently observed in diopside (CaMgSi 2 O 6 ) at 50 GPa (Plonka et al. 2012) and in clinoferrosilite (Fe 2 Si 2 O 6 ) at 30–36 GPa (Pakhomova et al. 2017). Observation of HPCEN2 in Mg 2 Si 2 O 6 completes the third apex of the pyroxene quadrilateral wherein HPCEN2 is found, facilitating a broader view of clinopyroxene crystal chemistry at conditions relevant to metastability in the Earth’s mantle along cold subduction geotherms.

58 GEOSCIENCES↗
DOE OSTI2021

Non-Hermitian topological states in 2D line-graph lattices: evolving triple exceptional points on reciprocal line graphs

Non-Hermitian (NH) topological states, such as the doubly-degenerate nodes dubbed as exceptional points (EPs) in Bloch band structure of 2D lattices driven by gain and loss, have attracted much recent interest. We demonstrate theoretically that in the three-site edge-centered lattices, i.e. the so-called line-graph lattices, such as kagome lattice which is a line graph of hexagonal lattice, there exist three types of triply-degenerate EPs evolving intriguingly on another set of line graphs in the reciprocal space. A single TEP (STEP) with ±1/3 topological charge moves faithfully along the edges of reciprocal line graphs with varying gain and loss, while two STEPs merge distinctively into one unconventional orthogonal double TEP (DTEP) with ±2/3 charge at the vertices, which is characterized with two ordinary self-orthogonal eigenfunctions but one surprising 'orthogonal' eigenfunction. Differently, in a modified line-graph lattice with an off-edge-center site, the ordinary coalesced state of DTEPs emerges with three identical self-orthogonal eigenfunctions. Such NH states and their evolution can be generally realized in various artificial systems, such as photonic and sonic crystals, where light and sonic vortex beams with different fractional twisting can be found. Our findings shed new light on fundamental understanding of gapless topological states in NH systems in terms of creation and evolution of high-order EPs, and open up new research directions to further link line graph and flow network theory coupled with topological physics, especially under non-equilibrium gain/loss conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Global perspectives of the bulk electronic structure of URu 2 Si 2 from angle-resolved photoemission

Previous high-resolution angle-resolved photoemission (ARPES) studies of URu 2 Si 2 have characterized the temperature-dependent behavior of narrow-band states close to the Fermi level ( E F ) at low photon energies near the zone center, with an emphasis on electronic reconstruction due to Brillouin zone folding. A substantial challenge to a proper description is that these states interact with other hole-band states that are generally absent from bulk-sensitive soft x-ray ARPES measurements. Here we provide a more global k -space context for the presence of such states and their relation to the bulk Fermi surface (FS) topology using synchrotron-based wide-angle and photon energy-dependent ARPES mapping of the electronic structure using photon energies intermediate between the low-energy regime and the high-energy soft x-ray regime. Small-spot spatial dependence, f -resonant photoemission, Si 2 p core-levels, x-ray polarization, surface-dosing modification, and theoretical surface slab calculations are employed to assist identification of bulk versus surface state character of the E F -crossing bands and their relation to specific U- or Si-terminations of the cleaved surface. The bulk FS topology is critically compared to density functional theory (DFT) and to dynamical mean field theory calculations. In addition to clarifying some aspects of the previously measured high symmetry Γ, Z and X points, incommensurate 0.6 a * nested Fermi-edge states located along Z – N – Z are found to be distinctly different from the DFT FS prediction. The temperature evolution of these states above T HO , combined with a more detailed theoretical investigation of this region, suggests a key role of the N -point in the hidden order transition.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Evolution of energy-containing turbulent eddies in the solar wind

Previous theoretical treatments of fluid-scale turbulence in the solar wind have concentrated on describing the state and dynamical evolution of fluctuations in the inertial range, which are characterized by power law energy spectra. In the present paper a model for the evolution of somewhat larger, more energetic magnetohydrodynamic (MHD) fluctuations is developed by analogy with classical hydrodynamic turbulence in the quasi-equilibrium range. The model is constructed by assembling and extending existing phenomenologies of homogeneous MHD turbulence, as well as simple two-length-scale models for transport of MHD turbulence in a weekly inhomogeneous medium. A set of equations is presented for the evolution of the turbulence, including the transport and nonlinear evolution of magnetic and kinetic energy, cross helicity, and their correlation scales. Two versions of the model are derived, depending on whether the fluctuations are distributed isotropically in three dimensions or restricted to the two-dimensional plane perpendicular to the mean magnetic field. This model includes a number of potentially important physical effects that have been neglected in previous discussions of transport of solar wind turbulence.

Matthaeus, William H.↗
DOE OSTI2019

Explicit time integration of the stiff chemical Langevin equations using computational singular perturbation

A stable explicit time-scale splitting algorithm for stiff chemical Langevin equations (CLEs) is developed, based on the concept of computational singular perturbation. The drift term of the CLE is projected onto basis vectors that span the fast and slow subdomains. The corresponding fast modes exhaust quickly, in the mean sense, and the system state then evolves, with a mean drift controlled by slow modes, on a random manifold. The drift-driven time evolution of the state due to fast exhausted modes is modeled algebraically as an exponential decay process, while that due to slow drift modes and diffusional processes is integrated explicitly. This enables time integration step sizes much larger than those required by typical explicit numerical methods for stiff stochastic differential equations. The algorithm is motivated and reported on, and extensive numerical experiments are conducted to illustrate its accuracy and stability with a number of model systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Overview: Exobiology in solar system exploration

In Aug. 1988, the NASA Ames Research Center held a three-day symposium in Sunnyvale, California, to discuss the subject of exobiology in the context of exploration of the solar system. Leading authorities in exobiology presented invited papers and assisted in setting future goals. The goals they set were as follows: (1) review relevant knowledge learned from planetary exploration programs; (2) detail some of the information that is yet to be obtained; (3) describe future missions and how exobiologists, as well as other scientists, can participate; and (4) recommend specific ways exobiology questions can be addressed on future exploration missions. These goals are in agreement with those of the Solar System Exploration Committee (SSEC) of the NASA Advisory Council. Formed in 1980 to respond to the planetary exploration strategies set forth by the Space Science Board of the National Academy of Sciences' Committee on Planetary and Lunar Exploration (COMPLEX), the SSEC's main function is to review the entire planetary program. The committee formulated a long-term plan (within a constrained budget) that would ensure a vital, exciting, and scientifically valuable effort through the turn of the century. The SSEC's goals include the following: determining the origin, evolution, and present state of the solar system; understanding Earth through comparative planetology studies; and revealing the relationship between the chemical and physical evolution of the solar system and the appearance of life. The SSEC's goals are consistent with the over-arching goal of NASA's Exobiology Program, which provides the critical framework and support for basic research. The research is divided into the following four elements: (1) cosmic evolution of the biogenic compounds; (2) prebiotic evolution; (3) origin and early evolution of life; and (4) evolution of advanced life.

Carle, Glenn C.↗
DOE OSTI2025

Phase-field modeling and experiments of dynamic fracture in single crystal quartz

Predicting the onset and characteristics of brittle fracture is important for a wide range of engineering and geological material applications. In this paper, we study important aspects of brittle fracture in α-quartz by phase-field modeling and experiments using a top-down approach. In the modeling framework, the work term in the Griffith energy balance is replaced with internal energy contributions that represent surface energy, thermal energy, and elastic strain energy stored in defects. This allows parametrization of individual energy contributions in terms of internal state variables and keeps track of energy partitioning after the onset of fracture. The path and history dependence of fracture is included in evolution laws for internal state variables, e.g., entropy evolution, while the energy remains a true potential. In the experimental part, dynamic compression experiments coupled with X-ray phase contrast imaging are performed on cube-like samples with a hole. In the top-down analysis, dynamic compression and three point bending experiments from the literature are simulated with the developed phase-field damage model. In conclusion, the fitted model highlights the strain rate, size, and stress state dependence of damage nucleation and evolution in single crystal α-quartz.

36 MATERIALS SCIENCE↗
NASA NTRS2005

Data Assimilation as a Tool for Developing a Mars International Reference Atmosphere

A new paradigm for a Mars International Reference Atmosphere is proposed. In general, as is certainly now the case for Mars, there are sufficient observational data to specify what the full atmospheric state was under a variety of circumstances (season, dustiness, etc.). There are also general circulation models capable of deter- mining the evolution of these states. If these capabilities are combined-using data assimilation techniques-the resulting analyzed states can be probed to answer a wide variety of questions, whether posed by scientists, mission planners, or others. This system would fulfill all the purposes of an international reference atmosphere and would make the scientific results of exploration missions readily available to the community. Preliminary work on a website that would incorporate this functionality has begun.

Houben, Howard↗
DOE OSTI2024

Aligning lithium metal battery research and development across academia and industry

Successful integration of metallic lithium anodes into secondary batteries could enhance energy density and enable new forms of electrified transportation. However, the outlook for widespread lithium metal adoption in energy storage devices remains mixed. This comes in part from existing gaps in our understanding of the relationships connecting the initial state of lithium, its evolution with cycling, and end-of-life state. It remains important to develop standardized protocols for material and cell characterization, cycling performance, safety, and recycling procedures for lithium metal-based batteries. In February 2023 a cohort of scientists and engineers from academia, national laboratories, and industry gathered to converge on a list of critical challenges and action items to provide better understanding of lithium metal evolution and to enhance academic, governmental, and industrial partnerships to address these challenges. Here, we highlight the major discussion topics revolving around the manufacturing of lithium metal, its related metrology and integration into battery form factors, and best practices testing its electrochemical performance relevant to automotive applications. We introduce a power-controlled discharge testing protocol for research and development cells, in alignment between major automotive stakeholders, that may reveal lithium metal battery dynamics closer to practical driving behavior.

25 ENERGY STORAGE↗
DOE OSTI2018

Multidimensional spectroscopy with attosecond extreme ultraviolet and shaped near-infrared pulses

Dynamics following excitation with attosecond extreme ultraviolet (XUV) pulses arise from enormous numbers of accessible excited states, complicating the retrieval of state-specific time evolutions. We develop attosecond XUV multidimensional spectroscopy here to separate interfering pathways on a near-infrared (NIR) energy axis, retrieving single state dynamics in argon atoms in a two-dimensional (2D) XUV-NIR spectrum. In this experiment, we measure four-wave mixing signal arising from the interaction of XUV attosecond pulses centered around 15 eV with two few-cycle NIR pulses. The 2D spectrum is created by measuring the emitted XUV signal field spectrum while applying narrowband amplitude and phase modulations to one of the NIR pulses. Application of such a technique to systems of high dimensionality will provide for the observation of state-resolved pure electronic dynamics, in direct analogy to phenomena unraveled by multidimensional spectroscopies at optical frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1997

Measuring the 511 keV emission in the direction of 1E1740.7-2942 with BATSE

Observations of the 511 keV emission in the direction of 1E 1740.7-2942 (1E) using the earth burst and transient source experiment (BATSE) onboard the Compton Gamma Ray Observatory (CGRO), are presented. The CGRO phase 1 average spectrum of 1E is calculated using a method which assumes that a given source spectrum is the sum of the flux coming directly from the object and the contribution from the surrounding diffuse emission. The 1E light curve is calculated in the 40 to 150 keV range. It presents a constant flux excess of 70 mCrab in comparison with observations from the SIGMA gamma ray telescope onboard the GRANAT observatory. By removing this contribution, the 1E spectral transition from the low state to the high standard state observed by SIGMA is confirmed, and it is shown that the 511 keV flux is independent of the 1E long term evolution from low state to high standard state. It is concluded that the 511 keV emission of (4.2 +/- 1.3) x 140(exp -4) photons/sq cm s observed in the direction of 1E is mainly diffuse and spatially extended.

Wallyn, P.↗
DOE OSTI2020

Evolution of noncollinear magnetism in magnetocaloric MnPtGa

MnPtGa crystallizes in the hexagonal Ni 2 In structure type in space group P6 3 /mmc and has been reported to display a ferromagnetic Curie temperature near 220K. Here we find a transition near T c = 236 K to a ferromagnetic state, albeit with a reduced moment from what is expected for collinear ordering. The peak magnetocaloric entropy change was determined to be ΔS M = –1.9 J kg –1 K –1 for an applied magnetic field of H = 5 T at the ferromagnetic ordering temperature. Magnetostructural coupling manifests as a change in the slope of the thermal expansion coefficients of the c lattice parameter near T c , with a negative spontaneous volume magnetostriction; ω = –300 ppm at 190K. In this work, neutron powder diffraction studies of the magnetic ground state reveal an evolution in complexity as temperature decreases: from a ferromagnet, to a canted antiferromagnet, to the eventual formation of a spin-density-wave state at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

QForte: An Efficient State-Vector Emulator and Quantum Algorithms Library for Molecular Electronic Structure

Here, we introduce a novel open-source software package QForte, a comprehensive development tool for new quantum simulation algorithms. QForte incorporates functionality for handling molecular Hamiltonians, fermionic encoding, ansatz construction, time evolution, and state-vector emulation, requiring only a classical electronic structure package as a dependency. QForte also contains black-box implementations of a wide variety of quantum algorithms, including variational and projective quantum eigensolvers, adaptive eigensolvers, quantum imaginary time evolution, and quantum Krylov methods. We highlight two features of QForte: (i) how the Python class structure of QForte enables the facile implementation of new algorithms, and (ii) how existing algorithms can be executed in just a few lines of code.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Obtaining phase-optimized states from superpositions of coherent states in phase-sensitive attenuating/amplifying reservoirs

In this paper we present new nonclassical states of a single mode of the electromagnetic field constructed by superpositions of coherent states distributed over a semi-straight line starting from the origin of the phase space. These states have highly concentrated phase distributions and can be useful as approximations of phase states. We propose feasible schemes to prepare such states in microwave high-Q cavities and as traveling modes. We investigate nonclassical properties and determine the Wigner functions of such pure states. Then we consider the system in contact with a reservoir, taking into account dissipation and gain processes in the Markovian approximation, and study the time-evolution of these states by solving the master equation in the Wigner representation. From explicit expressions of the time-dependent Wigner functions, we study the time-dependence of nonclassical properties and use the negativity of the Wigner function to analyze the disappearance of sub-Planck structures as time evolves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Exciton condensation in quantum Hall bilayers at total filling ν T = 5

We introduce the coupled quantum Hall bilayers each at half-filled first excited Landau levels with varying the layer distance. Based on numerical exact diagonalization on torus, we identify two distinct phases separated by a critical layer distance dc. From dc to infinite layer distance, the topological phase is smoothly connected to a direct tensor product of two Moore-Read states, while the interlayer coherence emerges at d < dc characterizedby the xy easy-plane ferromagnetic energy spectra, gapless pseudospin excitations and the finite exciton super-fluid stiffness, corresponding to the exciton superfluid state. More interestingly, the results of the ground state fidelity, the evolution of energy spectra, and the superfluid stiffness indicate a possible continuous transition.Theoretically it can be interpreted as a topological phase transition which simultaneously changes the topology of ground state and breaks symmetry, providing a fascinating example of transitions beyond Landau paradigm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2022

An Earth System Digital Twin for Flood Prediction and Analysis

An Earth System Digital Twin (ESDT) is a dynamic, interactive, digital replica of the state and temporal evolution of Earth systems. It integrates multiple models along with observation data, and connecting them with analysis, AI, and visualization tools. Together, these enable users to explore the current state of the Earth system, predict future conditions, and run hypothetical scenarios to understand how the system would evolve under various assumptions. The NASA’s Advanced Information Systems Technology (AIST)’s Integrated Digital Earth Analysis System (IDEAS) project is to establish an extensible architectural solution to develop digital twins of our physical environment for Earth Science. IDEAS delivers a formal system architecture with mechanisms for the outputs of one model to feed into others; for driving models with observation data; and for harmonizing observation data and model outputs for analysis. To validate and demonstrate the IDEAS architecture, this project collaborates with the Space Climate Observatory (SCO)’s FloodDAM project and the Centre National d’Etudes Spatiales (CNES) to focus on floods detection, prediction and their impacts.

Kettig, Peter↗
NASA NTRS2004

Development of a State Machine Sequencer for the Keck Interferometer: Evolution, Development and Lessons Learned using a CASE Tool Approach

This paper presents a discussion of the evolution of a sequencer from a simple EPICS (Experimental Physics and Industrial Control System) based sequencer into a complex implementation designed utilizing UML (Unified Modeling Language) methodologies and a CASE (Computer Aided Software Engineering) tool approach. The main purpose of the sequencer (called the IF Sequencer) is to provide overall control of the Keck Interferometer to enable science operations be carried out by a single operator (and/or observer). The interferometer links the two 10m telescopes of the W. M. Keck Observatory at Mauna Kea, Hawaii. The IF Sequencer is a high-level, multi-threaded, Hare1 finite state machine, software program designed to orchestrate several lower-level hardware and software hard real time subsystems that must perform their work in a specific and sequential order. The sequencing need not be done in hard real-time. Each state machine thread commands either a high-speed real-time multiple mode embedded controller via CORB A, or slower controllers via EPICS Channel Access interfaces. The overall operation of the system is simplified by the automation. The UML is discussed and our use of it to implement the sequencer is presented. The decision to use the Rhapsody product as our CASE tool is explained and reflected upon. Most importantly, a section on lessons learned is presented and the difficulty of integrating CASE tool automatically generated C++ code into a large control system consisting of multiple infrastructures is presented.

interferometer↗
NASA NTRS2017

Oxidative Alteration of Ferrous Smectites: A Formation Pathway for Martian Nontronite?

Ferric (Fe3+-bearing) smectites, including nontronite, constitute the majority of hydrous mineral exposures observed on Mars. These smectite exposures are commonly interpreted as weathering products of Martian basaltic crust. However, ferrous (Fe2+-dominated) smectites, not ferric, are the thermo-dynamically predicted products of weathering in anoxic conditions, as predicted for early Mars. Earth was anoxic until the Proterozoic Great Oxidation Event; Mars likely experienced an analogous oxidative evolution to its present oxidized state, but the timing of this evolution is unresolved. We hypothesize that Fe3+-smectites observed by orbital spectroscopy are not the initial products of Noachian-era chemical weathering, but are instead the oxidative products of primary Fe2+-smectites. To test this hypothesis experimentally, we synthesized ferrous smectites and exposed them to Mars-relevant oxidants.

Chemtob, S. M.↗