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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Organismic materials for beyond von Neumann machines

The elementary basis of intelligence in organisms with a central nervous system includes neurons and synapses and their complex interconnections forming neural circuits. In non-neural organisms such as slime mold with gel-like media, viscosity modulation enables adaptation to changing environments. At a larger scale, collective intelligence emerges via social interactions and feedback in animal colonies. Learning and memory are therefore multi-scale features that evolve as a result of constant interactions with the environment. There is growing interest in emulating such features of intelligence in computing machines and autonomous systems. Materials that can respond to their environment in a manner similar to organisms (referred to as "organismic materials") therefore may be of interest as hardware components in artificial intelligence machines. In this brief review, we present a class of semiconductors called correlated oxides as candidates for learning machines. The term "correlated" refers to the fact that electrons in such lattices strongly interact and the ground state is not what is predicted by classical band theory. Such materials can undergo insulator-metal transitions at near ambient conditions under external stimuli such as thermal or electrical fields, strain, and chemical doping. Depending on the mechanism driving the transition, intermediate states can be metastable with different volatilities, and the time scales of phase change can be controlled over many orders of magnitude. The change in electronic properties can be sharp or gradual, leading to digital or analog behavior. These properties enable the realization of artificial neurons and synapses and emulate the associative and non-associative learning characteristics found in various organisms. We examine microscopic properties concerning electronic and structural transitions leading to collective behavior and theoretical treatments of the ground state and dynamical response, showcasing VO 2 as a model system. Next, we briefly review algorithms designed from the plasticity demonstrated by phase changing systems. Finally, we conclude the brief review with suggestions for future research toward realizing non-von Neumann machines.

42 ENGINEERING↗
NASA NTRS2001

Tentative Identification of Interstellar CS by UV Absorption in the C-X Transition

Current chemical models of translucent clouds imply that sulfur is depleted with respect to its average abundance in diffuse clouds as determined by Morton (1975 ApJ,197, 85) by factors exceeding 10. Existing gigahertz emission observations yield sizable uncertainties in the column densities to background stars, and attempts to measure column densities of CS in the lines-of-sight to various stars through the absorption in the A-X (0,0) electronic transition near 257.6 nm have been unsuccessful. CS dissociates primarily through discrete absorptions into predissociating states. In analogy with CO the strongest of these is the C-X band found near 140.0 nm. We report the tentative identification of the C-X band of CS in the interstellar spectra of HD 24398 (zeta Per), HD 148184 (chi Oph), and HD 154368. The estimated column densities will be compared to the predictions of prevailing chemical models.

Smith, Andrew↗
NASA NTRS1979

Optimization of multiple flyby trajectories

A procedure has been developed which minimizes total delta-V (instantaneous velocity change) for a multiple flyby trajectory with constraints on flyby altitude and orientation. The solution is found by varying the locations of maneuver points between each flyby to minimize the delta-Vs at the maneuver points. Each trajectory segment connecting consecutive maneuver points is found by solving an N-body analog to Lambert's problem. Multiconic techniques are used for trajectory propagation and for computation of the state transition matrix. The constrained parameter optimization problem is converted to an unconstrained problem by means of penalty functions and then solved with a quasi-Newton algorithm utilizing analytic first derivatives. This procedure has been successfully applied to Galileo satellite tour trajectories.

Damario, L. A.↗
NASA NTRS2018

Climate Modeling of a Potential Exovenus

The planetary mass and radius sensitivity of exoplanet discovery capabilities has reached into the terrestrial regime. The focus of such investigations is to search within the Habitable Zone where a modern Earth-like atmosphere may be a viable comparison. However, the detection bias of the transit and radial velocity methods lies close to the host star where the received flux at the planet may push the atmosphere into a runaway greenhouse state. One such exoplanet discovery, Kepler-1649b, receives a similar flux from its star as modern Venus does from the Sun, and so was categorized as a possible exoVenus. Here we discuss the planetary parameters of Kepler-1649b in relation to Venus to establish its potential as a Venus analog. We utilize the general circulation model ROCKE-3D to simulate the evolution of the surface temperature of Kepler-1649b under various assumptions, including relative atmospheric abundances. We show that in all our simulations the atmospheric model rapidly diverges from temperate surface conditions toward a runaway greenhouse with rapidly escalating surface temperatures. We calculate transmission spectra for the evolved atmosphere and discuss these spectra within the context of the James Webb Space Telescope Near-Infrared Spectrograph capabilities. We thus demonstrate the detectability of the key atmospheric signatures of possible runaway greenhouse transition states and outline the future prospects of characterizing potential Venus analogs.

Astrobiology↗
DOE OSTI2022

On the prospects of optical cycling in diatomic cations: effects of transition metals, spin–orbit couplings, and multiple bonds

Molecules with optical cycling centers (OCCs) are highly desirable in the context of fundamental studies as well as applications (e.g., quantum computing) because they can be effectively cooled to very low temperatures by repeated absorption and emission (hence, cycling). Charged species offer additional advantages for experimental control and manipulation. Here, we present a systematic computational study of a series of diatomic radical-cations made of a d-block metal and a p-block ligand, that are isoelectronic (in their valence shell) to the successfully laser-cooled neutral molecules. Using high-level electronic structure methods, we characterize state and transition properties of low-lying electronic states and compute Franck-Condon factors. The computed branching ratios and radiative lifetimes reveal that the electronic transitions analogous to those successfully used in the laser cooling of neutral molecules are less than optimal in the cations. We propose alternative transitions suitable for optical cycling and highlight trends that could assist future designs of OCCs in charged or neutral molecules.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2018

Climate Modeling of a Potential ExoVenus

The planetary mass and radius sensitivity of exoplanet discovery capabilities has reached into the terrestrial regime. The focus of such investigations is to search within the Habitable Zone where a modern Earth-like atmosphere maybe a viable comparison. However, the detection bias of the transit and radial velocity methods lies close to the host star where the received flux at the planet may push the atmosphere into a runaway greenhouse state. One such exoplanet discovery, Kepler-1649b, receives a similar flux from its star as modern Venus does from the Sun, and so was categorized as a possible exoVenus. Here we discuss the planetary parameters of Kepler-1649b in relation to Venus to establish its potential as a Venus analog. We utilize the general circulation model ROCKE-3D (Resolving Orbital and Climate Keys of Earth and Extraterrestrial Environments with Dynamics) to simulate the evolution of the surface temperature of Kepler-1649b under various assumptions, including relative atmospheric abundances. We show that in all our simulations the atmospheric model rapidly diverges from temperate surface conditions toward a runaway greenhouse with rapidly escalating surface temperatures. We calculate transmission spectra for the evolved atmosphere and discuss these spectra within the context of the James Webb Space Telescope Near-Infrared Spectrograph capabilities. We thus demonstrate the detectability of the key atmospheric signatures of possible runaway greenhouse transition states and outline the future prospects of characterizing potential Venus analogs.

Astrobiology↗
DOE OSTI2026

Controlled Placement of Trivalent Heteroatoms in MFI Zeolite Frameworks Using Structure-Directing Agents

MFI zeolites contain distinct confining pore environments, either smaller (∼0.55 nm) channels or larger (∼0.70 nm) intersections. The substitution of trivalent heteroatoms generates Brønsted acid sites of varying acid strength, which, together with their location within different pore environments, dictates the stability of transition states via electrostatic (ion-pair) and van der Waals interactions. Here, we report that structure-directing agents (SDAs) that control Al 3+ substitutional patterns during MFI crystallization analogously position other trivalent heteroatoms (Ga 3+ , Fe 3+ , B 3+ ), altering the distribution of acid sites between channels and intersections, as probed by low-temperature (403 K) toluene methylation kinetics. Heteroatom-substituted MFI crystallized with tetrapropylammonium result in low selectivity toward p-xylene (<30%), while those crystallized using (co-)SDAs containing peripheral hydrogen-bonding groups (e.g., ethylenediamine) show high p-xylene selectivity (∼80%). These selectivities are consistent with DFT-calculated Gibbs free energy barriers for intersection-dominant and channel-dominant active site distributions, respectively. Transition states to form each xylene isomer are similar in size and charge; thus, their rate constants decrease with acid strength similarly, causing isomer selectivity to depend strongly on confinement but not on acid strength. These generalizable synthetic strategies enable independently controlling acid site strength and location in MFI zeolites and, in turn, catalytic rates and selectivities.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Extended Duration: The SIRIUS 21 Crew Perspective

The SIRIUS (Scientific International Research In a Unique terrestrial Station) missions represent a collaborative effort between NASA and Russia’s Institute for Biomedical Problems (IBMP) to conduct a series of long duration isolation and confinement spaceflight analog missions. Three missions of 17-day, 4-month, and 8-month duration (SIRIUS 17, 19, and 21) have been completed at IBMP’s Ground-Based Experimental Complex / Nazemnyy eksperimental'nyy kompleks (NEK) in Moscow, Russia. The international SIRIUS 21 crew comprising representatives from the United States, United Arab Emirates and Russia recently completed the 8-month analog lunar mission. The extended duration mission included simulated lunar transit, orbital, and surface operations with corresponding deep space communication delay, during which the crew participated in nearly 70 studies, eight of which were sponsored by NASA’s Human Research Program. The studies examined the effect of isolation and confinement on the behavioral health of research subjects, and investigated medical countermeasures, team performance, crew dynamics, crew autonomy, food system risks, consequences of confinement and associated physiological stressors. SIRIUS 21 crewmembers also participated in operational tasks such as Rover and CubeSat assembly, simulated lunar sample assessment, VR activities, robotic arm training, environmental systems monitoring, exercise, greenhouse maintenance and 3D printing. Communication with Mission Control was limited to 30-minute periods every two hours. Since access to the internet and email was restricted, simulated ground support provided the Crew’s primary source of daily news and mission information. This panel discussion will include presentations from the US SIRIUS 21 crewmembers – William Brown and Ashley Kowalski – about their experience participating in the mission and science. A facilitated question and answer session will follow with attendees encouraged to ask questions and join in discussion with the SIRIUS 21 crewmembers about their experiences. William Brown came to SIRIUS 21 with experience spread across multiple industries, including the military, defense contracting, healthcare consulting, software engineering, and logistics. He has lived in the Middle East, Central Asia, and Russia. A former Boren Scholar, Brown is fluent in Russian. He holds a Master of International Business degree from the University of South Carolina’s Darla Moore School of Business. Prior to that, he earned a bachelor’s degree in Russian language, literature, and culture from the University of South Carolina. There, he also completed additional undergraduate coursework in computer science. Ashley Kowalski is a Project Leader in The Aerospace Corporation’s International Partnerships Department, where she works with, represents, and provides technical support to the the U.S. Space Force Space Systems Command International Affairs (SSC/IA) office. Through her numerous national and international assignments (Russia, China, and Germany), she has worked on topics related to international space systems, national security space systems, civil systems (including human spaceflight and civil launch projects), space policy, satellite industry analysis, and satellite manufacturing start-ups. She is proficient in Russian and German, and fluent in Polish. Kowalski received her Bachelor of Science and Master of Science degrees in mechanical and aerospace engineering from George Washington University in 2011 and 2012, respectively.

S. E. Whiting↗
DOE OSTI2023

Resolving complex intralayer transition motifs in high-Ni-content layered cathode materials for lithium-ion batteries

High-Ni-content layered materials are promising cathodes for next-generation lithium-ion batteries. However, investigating the atomic configurations of the delithiation-induced complex phase boundaries and their transitions remains challenging. Here, in this study, by using deep-learning-aided super-resolution electron microscopy, we resolve the intralayer transition motifs at complex phase boundaries in high-Ni cathodes. We reveal that an O3 → O1 transformation driven by delithiation leads to the formation of two types of O1–O3 interface, the continuous- and abrupt-transition interfaces. The interfacial misfit is accommodated by a continuous shear-transition zone and an abrupt structural unit, respectively. Atomic-scale simulations show that uneven in-plane Li+ distribution contributes to the formation of both types of interface, and the abrupt transition is energetically more favourable in a delithiated state where O1 is dominant, or when there is an uneven in-plane Li + distribution in a delithiated O3 lattice. Moreover, a twin-like motif that introduces structural units analogous to the abrupt-type O1–O3 interface is also uncovered. The structural transition motifs resolved in this study provide further understanding of shear-induced phase transformations and phase boundaries in high-Ni layered cathodes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Polymorphic Control of CsGaE 2 (E = S, Se) Using Diorganyl Dichalcogenide Precursors

Diorganyl dichalcogenides (R–E–E–R; R = organyl, E = S, Se, Te) are widely employed for the polymorphic control of diamond-like crystal structures owing to their tunable C–E bond reactivity. In this work, we extend their application to non-close-packed alkali metal-based chalcogenides by demonstrating the selective synthesis of CsGaE 2 (E = S, Se) polymorphs. Weaker C–E bonds or higher temperatures promote the formation of the thermodynamically stable mC64 phases, while stronger C–E bonds or lower temperatures allow for the isolation of the metastable mC16 phases. Furthermore, heat-treatment studies reveal the pronounced metastability of CsGaSe 2 -mC16 particles and the irreversible phase transition of CsGaS 2 analogous to its bulk counterpart.

Cancer↗
DOE OSTI2026

Analog and symbolic computation through the Koopman framework

We develop a Koopman operator framework for studying the computational structure of dynamical systems. Specifically, we show that the resolvent of the Koopman operator provides a natural abstraction of halting, yielding a ‘Koopman halting problem’ that is recursively enumerable in general. For symbolic systems, such as those defined on Cantor space, this operator formulation captures reachability between clopen sets, while for equicontinuous systems we prove that the Koopman halting problem is decidable. Our framework demonstrates that absorbing (halting) states in coarse-grained finite automata correspond to Koopman eigenfunctions with eigenvalue one, while cycles in the transition graph impose spectral constraints associated with periodic dynamics. These results provide a unifying perspective on computation in symbolic and analog systems, showing how computational universality is reflected in operator spectra, invariant subspaces, and algebraic structures. Beyond symbolic dynamics, this operator-theoretic lens opens pathways to analyze the computational properties of a broader class of dynamical systems, including polynomial and analog models, and suggests that computational hardness may admit dynamical signatures in terms of Koopman spectral structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Fluctuating Ru trimer precursor to a two-stage electronic transition in RuP

Superconductivity in binary ruthenium pnictides occurs proximal to and upon suppression of a non-magnetic ground state, preceded by a pseudogap phase associated with Fermi surface instability, and its critical temperature, T c , is maximized around the pseudogap quantum critical point. By analogy with isoelectronic iron based counterparts, antiferromagnetic fluctuations became ''usual suspects" as putative mediators of superconducting pairing. Here we report on a high temperature local symmetry breaking in RuP, nonsuperconducting parent of the maximum- T c branch of these novel superconductors, revealed by combined nanostructure-sensitive powder and single crystal X-ray total scattering analyses. Large local distortions of Ru chains associated with orbital-charge trimerization, further assembled into hexamers, exist above the two-stage electronic transition in RuP. In the pseudogap regime the precursors order with distortions retaining their strength, whereas they acquire spin-singlet characteristics which dramatically enhances the distortion as the nonmagnetic ground state establishes. The precursors enable the nonmagnetic ground state and presumed complex oligomerization, and the relevance of pseudogap fluctuations for superconductivity emerges as a distinct prospect. As a transition metal system in which partial d-manifold filling combined with high crystal symmetry promotes electronic instabilities, this represents a further example of local electronic precursors underpinning the macroscopic collective behavior of quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Control of deviatoric stress in the diamond anvil cell through thermal expansion mismatch stress in thin films

Elastic and plastic properties of materials and phase transitions at extreme conditions vary with both hydrostatic pressure and deviatoric stress. To generate and measure controlled deviatoric stress at pressures beyond those accessible with large volume differential and rotational presses and optical access for spectroscopy, experiments tested the combination of diamond anvil cell and thin film technology. Thin films of polycrystalline Cr-doped Al 2 O 3 ruby were prepared using pulsed laser deposition on single-crystal substrates of either Al 2 O 3 sapphire or yttria-stabilized cubic zirconia for contrasting initial film stress, and loaded in diamond anvil cells for confining stress. The piezospectroscopic response of the ruby films demonstrates consistently higher deviatoric stress in the film on zirconia relative to the film on the control sapphire, and an increase in deviatoric stress with applied load. Complementary synchrotron X-ray diffraction of the zirconia substrate confirmed that no pressure-induced phase transitions impacted the stress state of the ruby film, but differences in compressibility of film and substrate result in changes in film stress analogous to thermal expansion mismatch. Furthermore, this technique may be applied to evaluate elastic and plastic response of thin films of a variety of materials under extreme stress.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Field-controlled dynamics of skyrmions and monopoles

Magnetic monopoles, despite their ongoing experimental search as elementary particles, have inspired the discovery of analogous excitations in condensed matter systems. In chiral condensed matter systems, emergent monopoles are responsible for the onset of transitions between topologically distinct states and phases, such as in the case of transitions from helical and conical phase to A-phase comprising periodic arrays of skyrmions. By combining numerical modeling and optical characterizations, we describe how different geometrical configurations of skyrmions terminating at monopoles can be realized in liquid crystals and liquid crystal ferromagnets. We demonstrate how these complex structures can be effectively manipulated by external magnetic and electric fields. Furthermore, we discuss how our findings may hint at similar dynamics in other physical systems and their potential applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Probing Excited-State Dynamics of Transmon Ionization

The fidelity and quantum nondemolition character of the dispersive readout in circuit QED are limited by unwanted transitions to highly excited states at specific photon numbers in the readout resonator. This observation can be explained by multiphoton resonances between computational states and highly excited states in strongly driven nonlinear systems, analogous to multiphoton ionization in atoms and molecules. In this work, we utilize the multilevel nature of high-𝐸 𝐽 /𝐸 𝐶 transmons to probe the excited-state dynamics induced by strong drives during readout. With up to ten resolvable states, we quantify the critical photon number of ionization, the resulting state after ionization, and the fraction of the population transferred to highly excited states. Moreover, using pulse shaping to control the photon number in the readout resonator in the high-power regime, we tune the adiabaticity of the transition and verify that transmon ionization is a Landau-Zener-type transition. We further extend these methods to a typical transmon with 𝐸 𝐽 /𝐸 𝐶 ≈ 55 and probe the offset-charge dependence of ionization dynamics in a timed-resolved manner. Our experimental results agree well with the theoretical prediction from a semiclassical driven transmon model and may guide future exploration of strongly driven nonlinear oscillators.

cavity quantum electrodynamics↗
DOE OSTI2022

Construction of Fractal Order and Phase Transition with Rydberg Atoms

We propose the construction of a many-body phase of matter with fractal structure using arrays of Rydberg atoms. The degenerate low energy excited states of this phase form a self-similar fractal structure. This phase is analogous to the so-called “type-II fracton topological states.” The main challenge in realizing fractonlike models in standard condensed matter platforms is the creation of multispin interactions, since realistic systems are typically dominated by two-body interactions. In this work, we demonstrate that the van der Waals interaction and experimental tunability of Rydberg-based platforms enable the simulation of exotic phases of matter with fractal structures, and the study of a quantum phase transition involving a fractal ordered phase.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1988

Theoretical spectrum of AlN

Theoretical spectroscopic constants and radiative lifetimes are presented for the low-lying electronic states of AlN and AlN(+). The ground state of AlN is predicted to be X 3Pi, in agreement with earlier theoretical calculations, but the A 3Pi- state is extremely low-lying. The near degeneracy of these states is analogous to the situation for Al2 and implies that sigma and pi bonds are of nearly equal strength. The 3Pi - 3Pi AlN band system observed in emission is assigned as the C 3Pi - X 3Pi transition. The C 3Pi radiative lifetime is estimated as 151, 163, and 175 ns for v-prime = 0, 1, 2 respectively. These lifetimes may be significantly shortened by dissociation by the (1) 5Pi stated. The calculated D(e) of 2.35 eV for the ground state is about half that of the isovalent BN molecule. Thus the bonding in AlN is significantly weaker than for BN owing to the smaller overlaps of the valence orbitals.

Langhoff, Stephen R.↗