Search NASA⌕ Search

SEARCH · Search NASA

Results for “state evolution”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,135 records · Page 63

Four ppm measurement of the antihydrogen ground-state hyperfine splitting

The hydrogen atom is a touchstone for the foundations, evolution and frontiers of quantum theory. Key spectral lines of this atom have been determined to remarkable precision. Our research focuses on the study of antihydrogen, the antimatter counterpart of hydrogen. We test fundamental symmetries of nature (such as simultaneous charge conjugation, parity inversion, and time reversal or CPT symmetry) through precision comparisons of these atomic systems. Recent 1S–2S spectroscopic measurements on trapped antihydrogen have achieved relative precisions of parts per trillion. However, the ground-state hyperfine splitting, which is sensitive to the internal structure of the antiproton, has only been measured to 400 parts per million (ppm). Here we report a 4 ppm measurement of the antihydrogen ground-state hyperfine splitting energy a 1S , advancing the state-of-the-art precision by two orders of magnitude. From microwave spectroscopy experiments with roughly 24,000 anti-atoms, we determine ${a}_{1{\rm{S}}}/h=\mathrm{1,420,404.8}\pm 1.1(\mathrm{stat.})\pm 5.6\,(\mathrm{sys.})\,\text{kHz}$ in a 1-T magnetic field, consistent with expectations for hydrogen. At this level, our measurement is sensitive to the internal structure of the antiproton, which contributes at about 40 ppm and is approaching the limit of existing theoretical analyses. The gains we report are the product of marked advances in magnetic trap field control, stabilization and characterization; anti-atom spin-state manipulation; and improved antihydrogen accumulation rate.

74 ATOMIC AND MOLECULAR PHYSICS↗

Synthesis of NiRu-Layered Double Hydroxide for Enhanced Oxygen Evolution Reaction

Nickel−ruthenium layered double hydroxide (NiRu-LDH) was synthesized by coprecipitation using formamide as both solvent and intercalant. The synthesis was performed at various temperatures to study the impact of temperature on electrochemical performance. Temperature plays a vital role in optimizing LDH synthesis to enhance oxygen evolution reaction (OER) efficiency. The optimal temperature yielded a well-defined morphology with balanced crystallinity, leading to more active sites and improved charge transfer. Electrochemical tests indicated that the NiRu-LDH sample prepared at 50 °C (NiRu-LDH-50) required only 280 mV overpotential versus the reversible hydrogen electrode to achieve 10 mA/cm 2 and exhibited a low Tafel slope of 52 mV/dec, demonstrating excellent catalytic kinetics. This study presents the synthesis of NiRu-LDH via coprecipitation and emphasizes how reaction temperature influences LDH structural properties and OER performance.

Catalysts↗

Multiple steady states for characteristic initial value problems

The time dependent, isentropic, quasi-one-dimensional equations of gas dynamics and other model equations are considered under the constraint of characteristic boundary conditions. Analysis of the time evolution shows how different initial data may lead to different steady states and how seemingly anamolous behavior of the solution may be resolved. Numerical experimentation using time consistent explicit algorithms verifies the conclusions of the analysis. The use of implicit schemes with very large time steps leads to erroneous results.

Salas, M. D.↗

The saturation mechanism of thermal instability

The literature on thermal instability (TI) reveals that even for a simple homogeneous plasma, the nonlinear outcome ranges from a gentle reconfiguration of the initial state to an explosive one, depending on whether the condensations that form evolve in an isobaric or nonisobaric manner. After summarizing the recent developments on the linear and nonlinear theory of TI, here we derive several general identities from the evolution equation for entropy that reveal the mechanism by which TI saturates; whenever the boundary of the instability region (the Balbus contour) is crossed, a dynamical change is triggered that causes the comoving time derivative of the pressure to change the sign. This event implies that the gas pressure force reverses direction, slowing the continued growth of condensation. For isobaric evolution, this “pressure reversal” occurs nearly simultaneously for every fluid element in condensation and a steady state is quickly reached. For nonisobaric evolution, the condensation is no longer in mechanical equilibrium and the contracting gas rebounds with greater force during the expansion phase that accompanies the gas reaching the equilibrium curve. The cloud then pulsates because the return to mechanical equilibrium becomes wave mediated. We show that both the contraction rebound event and subsequent pulsation behavior follow analytically from an analysis of the new identities. Our analysis also leads to the identification of an isochoric TI zone and makes it clear that unless this zone intersects the equilibrium curve, isochoric modes can only become unstable if the plasma is in a state of thermal non-equilibrium.

79 ASTRONOMY AND ASTROPHYSICS↗

The structure and evolution of Jupiter - The fluid contraction stage

The complete evolution of a contracting star of Jovian mass consisting of a convective adiabatic homogeneous fluid is determined using stellar structure methods, improved model atmosphere calculations, and substantially improved thermodynamic properties for hydrogen and hydrogen-helium fluids. The model atmospheres are calculated in the form of time-averaged vertical temperature structures, including all relevant sources of opacity and a solar energy deposition component, and the thermodynamic properties are modified to obtain better agreement with Monte Carlo results for metallic fluids. The resultant gravitationally contracting evolutionary models are found to have two phases: an early stellar phase similar to a typical low-mass pre-main-sequence body and a later phase constituting an approach to a degenerate-dwarf cooling curve. The first phase is shown to have high luminosities and internal temperatures, while the second gives excellent agreement with the observed radius and luminosity of Jupiter. Analysis indicates that the equation of state and superadiabaticity have the strongest influence on evolution over planetary time scales.

Graboske, H. C., Jr.↗

Mapping of Texture and Phase Fractions in Heterogeneous Stress States during Multiaxial Loading of Biomedical Superelastic NiTi

Thermoelastic deformation mechanisms in polycrystalline biomedical-grade superelastic NiTi are spatially mapped using in situ neutron diffraction during multiaxial loading and heating. The trigonal R-phase is formed from the cubic phase during cooling to room temperature and subsequently deforms in compression, tension, and torsion. The resulting R-phase variant microstructure from the variant reorientation and detwinning processes are equivalent for the corresponding strain in tension and compression, and the variant microstructure is reversible by isothermal loading. The R-phase variant microstructure is consistent between uniaxial and torsional loading when the principal stress directions of the stress state are considered (for the crystallographic directions observed here). The variant microstructure evolution is tracked and the similarity in general behavior between uniaxial and torsional loading, in spite of the implicit heterogeneous stress state associated with torsional loading, pointed to the ability of the reversible thermoelastic transformation in NiTi to accommodate stress and strain mismatch with deformation. This ability of the R-phase, despite its limited variants, to accommodate stress and strain and satisfy strain incompatibility in addition to the existing internal stresses has significance for reducing irrecoverable deformation mechanisms during loading and cycling through the phase transformation.

36 MATERIALS SCIENCE↗

Short-Range Order and Unusual Modes of Nickel Redox in a Fluorine-Substituted Disordered Rocksalt Oxide Lithium-Ion Cathode

Fluorine substitution for oxygen in cation-disordered lithium-excess transition metal oxides (Li 1+x TM 1-x O 2 ) used as lithium-ion cathodes was recently demonstrated to improve the reversibility of the processes taking place on charge and discharge by reducing the amount of oxygen loss on charge and preventing major structural rearrangements at high voltage. Yet, little is understood about how fluorine incorporates the oxide structure and impacts its electrochemical properties. We use a combination of experimental (solid-state nuclear magnetic resonance (NMR) spectroscopy) and theoretical techniques (density functional theory (DFT) calculations and Monte Carlo simulations) to investigate the evolution of the local structure around fluorine and lithium and the oxidation state of redox-active nickel during charge and discharge of the Li 1.15 Ni 0.45 Ti 0.3 Mo 0.1 O 1.85 F 0.15 (LNF15) cathode. We show that fluorine doping introduces short-range order in as-synthesized LNF15 by incorporating in lithium-rich sites with five or six lithium nearest neighbors. We observe the emergence of new signals in the ex situ 19 F NMR spectra taken at high states of charge, which we tentatively assign to undercoordinated, diamagnetic fluorine environments seen in our computed models. Our theoretical results also suggest that octahedral nickel ions directly bonded to fluorine follow a different oxidation mechanism than those surrounded by six oxygens, forming Ni 3+ intermediates instead of oxidizing from Ni 2+ directly to Ni 4+ . While the oxidation of Ni 2+ toward Ni 4+ is incomplete in oxides, due to overlap between the oxygen and the nickel valence states, this result suggests that fluorination may be an efficient strategy to utilize the Ni 2+ /Ni 4+ redox reservoir to a greater extent.

25 ENERGY STORAGE↗

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↗

Diverse Physical States of Amorphous Precursors in Zeolite Sol Gel Syntheses

The assembly and structural evolution of amorphous precursors during zeolite crystallization is an important area of interest owing to their putative roles in the nucleation and growth of aluminosilicate microporous materials. Precursors range in complexity from oligomeric molecules and colloidal particles to gels comprised of heterogeneous silica and alumina domains. The physical state of precursors in most zeolite syntheses is generally not well understood; however, it is evident that the physicochemical properties of precursors depend on a wide range of conditions that include (but are not limited to) the selection of reagents, the composition of growth mixtures, the methods of preparation, and the use of inorganic and/or organic structure-directing agents. The fact that precursors evolve in size, shape, and/or microstructure during the course of nucleation and potentially throughout crystallization leads to questions pertaining to their mode of action in the formation of zeolites. Finally, this also highlights the diversity of species that are present in growth media, thus rendering the topic of zeolite synthesis essentially a black box to those attempting to better understand the fundamental role(s) of precursors. Here in this Article, we discuss the wide variety of precursors encountered in the synthesis of various framework types, emphasizing their complex physical states and the thermodynamic and kinetic factors that govern their heterogeneity.

36 MATERIALS SCIENCE↗

Investigating the impact of higher-order phase transitions in binary neutron-star mergers

In this paper we investigate quark deconfinement in neutrons stars and their mergers, focusing on the effects of higher orders for the phase transition between hadronic and quark matter. The different descriptions we use to describe matter microscopically contain varying particle degrees of freedom, including nucleons, hyperons, Delta baryons, and light and strange quarks. We use tabulated equations of state from the CompOSE database in which the quark deconfinement phase transition is described as being first order, and then smooth it out by introducing a percolation, replacing the single first-order phase transition with two transitions of second or third order. We then perform binary neutron-star merger simulations using these new equations of state, focusing on groups of binaries with the same single-star mass, radius, and tidal deformability, but different equations of state. Here, we go on to discuss differences in their evolution, and the ramifications for interpreting future gravitational wave observations and the potential to learn about dense matter.

79 ASTRONOMY AND ASTROPHYSICS↗

MASS TRANSPORT AND TURBULENCE IN GRAVITATIONALLY UNSTABLE DISK GALAXIES. II. THE EFFECTS OF STAR FORMATION FEEDBACK

Self-gravity and stellar feedback are capable of driving turbulence and transporting mass and angular momentum in disk galaxies, but the balance between them is not well understood. In the previous paper in this series, we showed that gravity alone can drive turbulence in galactic disks, regulate their Toomre Q parameters to ∼1, and transport mass inwards at a rate sufficient to fuel star formation in the centers of present-day galaxies. In this paper we extend our models to include the effects of star formation feedback. We show that feedback suppresses galaxies’ star formation rates by a factor of ∼5 and leads to the formation of a multi-phase atomic and molecular interstellar medium. Both the star formation rate and the phase balance produced in our simulations agree well with observations of nearby spirals. After our galaxies reach steady state, we find that the inclusion of feedback actually lowers the gas velocity dispersion slightly compared to the case of pure self-gravity, and also slightly reduces the rate of inward mass transport. Nevertheless, we find that, even with feedback included, our galactic disks self-regulate to Q ∼ 1, and transport mass inwards at a rate sufficient to supply a substantial fraction of the inner disk star formation. We argue that gravitational instability is therefore likely to be the dominant source of turbulence and transport in galactic disks, and that it is responsible for fueling star formation in the inner parts of galactic disks over cosmological times.

79 ASTRONOMY AND ASTROPHYSICS↗

New excitations in Ba 142 and Ce 144 : Evolution of γ bands in the N = 86 isotones

New excited states in 142 Ba and 144 Ce are investigated by means of prompt γ-ray spectroscopy of the radiation following spontaneous fission of 252 Cf. Measurements of angular correlations and the observed branchings allowed the assignment of spins and parities with confidence. The new measurements are reinforced by shell-model calculations where energy levels, electric transitions, and magnetic moments are consistent with experimental data. Lastly, the presence of collectivity in the N = 86 isotones is confirmed by clear signatures of soft triaxial γ bands in both nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Simultaneous Measurements of Noncommuting Observables: Positive Transformations and Instrumental Lie Groups

We formulate a general program for describing and analyzing continuous, differential weak, simultaneous measurements of noncommuting observables, which focuses on describing the measuring instrument autonomously, without states. The Kraus operators of such measuring processes are time-ordered products of fundamental differential positive transformations, which generate nonunitary transformation groups that we call instrumental Lie groups. The temporal evolution of the instrument is equivalent to the diffusion of a Kraus-operator distribution function, defined relative to the invariant measure of the instrumental Lie group. This diffusion can be analyzed using Wiener path integration, stochastic differential equations, or a Fokker-Planck-Kolmogorov equation. This way of considering instrument evolution we call the Instrument Manifold Program. We relate the Instrument Manifold Program to state-based stochastic master equations. We then explain how the Instrument Manifold Program can be used to describe instrument evolution in terms of a universal cover that we call the universal instrumental Lie group, which is independent not just of states, but also of Hilbert space. The universal instrument is generically infinite dimensional, in which case the instrument’s evolution is chaotic. Special simultaneous measurements have a finite-dimensional universal instrument, in which case the instrument is considered principal, and it can be analyzed within the differential geometry of the universal instrumental Lie group. Principal instruments belong at the foundation of quantum mechanics. We consider the three most fundamental examples: measurement of a single observable, position and momentum, and the three components of angular momentum. As these measurements are performed continuously, they converge to strong simultaneous measurements. For a single observable, this results in the standard decay of coherence between inequivalent irreducible representations. For the latter two cases, it leads to a collapse within each irreducible representation onto the classical or spherical phase space, with the phase space located at the boundary of these instrumental Lie groups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Stereodivergent photobiocatalytic radical cyclization through the repurposing and directed evolution of fatty acid photodecarboxylases

Despite their intriguing photophysical and photochemical activities, naturally occurring photoenzymes have not yet been repurposed for new-to-nature activities. Here we engineered fatty acid photodecarboxylases (FAPs) to catalyse unnatural photoredox radical C–C bond formation by leveraging strongly oxidizing excited-state flavoquinone cofactor. Through genome mining, rational engineering and directed evolution, we developed a panel of radical photocyclases (RAPs) to facilitate decarboxylative radical cyclisation with excellent chemo-, enantio-, and diastereoselectivities. Our high-throughput experimental workflow allowed for the directed evolution of FAPs. An orthogonal set of RAPs was engineered to access all four possible stereoisomers of stereochemical dyad, affording fully diastereo- and enantiodivergent biotransformations in asymmetric radical biocatalysis. Molecular dynamics simulations show that our evolved RAPs allow near-attack conformations to be easily accessed, enabling chemoselective radical cyclisation. The development of stereoselective RAPs provides unnatural C–C bond forming activities in natural photoenzyme families, which can be used to tame the stereochemistry of free radical-mediated reactions.

Ju, Shuyun (ORCID:000000020322104X)↗

Scan‐Path‐ and Initial‐State‐Dependent Superdomain Switching in (111)‐Oriented PZT

Polarization switching in ferroelectric materials arises from the collective evolution of complex domain hierarchies, yet deterministic control over these processes remains challenging. Here, we investigate scan-path- and initial-state-dependent switching in epitaxial (111)-oriented PbZr 0.2 Ti 0.8 O 3 thin films using automated AFM-based writing combined with quantitative 3D piezoresponse force microscopy. We show that the scan trajectory acts as an experimentally accessible control parameter for superdomain formation. Box-in-box raster scans reproducibly stabilize ordered stripe superdomains with a reduced subset of symmetry-allowed variants, whereas spiral trajectories generate frustrated mixed-variant states with a broader distribution of final microstructures. Automated pulsing experiments further show that the local superdomain configuration at the nucleation site strongly influences the final written morphology. Phase-field modeling qualitatively reproduces the contrast between representative initial-state geometries and supports the role of compatibility constraints among competing ferroelastic pathways. These findings establish scan-path and initial-state engineering as practical handles to program ferroic order in hierarchical ferroelectric domain structures.

Vasudevan, Rama K. [Oak Ridge National Laboratory ↗

Dynamic STEM-EELS for single-atom and defect measurement during electron beam transformations

This study introduces the integration of dynamic computer vision–enabled imaging with electron energy loss spectroscopy (EELS) in scanning transmission electron microscopy (STEM). This approach involves real-time discovery and analysis of atomic structures as they form, allowing us to observe the evolution of material properties at the atomic level, capturing transient states traditional techniques often miss. Rapid object detection and action system enhances the efficiency and accuracy of STEM-EELS by autonomously identifying and targeting only areas of interest. This machine learning (ML)–based approach differs from classical ML in that it must be executed on the fly, not using static data. We apply this technology to V-doped MoS 2 , uncovering insights into defect formation and evolution under electron beam exposure. This approach opens uncharted avenues for exploring and characterizing materials in dynamic states, offering a pathway to increase our understanding of dynamic phenomena in materials under thermal, chemical, and beam stimuli.

47 OTHER INSTRUMENTATION↗

Dirhodium(II,II) Complexes as Panchromatic Single-Molecule Photocatalysts for Hydrogen Evolution

The growing global energy demand and climate change have prompted a shift from carbon-based fuels to sustainable energy sources. Hydrogen production by harnessing solar energy and using abundant proton sources represents an attractive approach to addressing this crisis. Single-molecule single-chromophore photocatalysts, capable of both absorbing the incident photon and catalyzing the chemical transformation, are able to circumvent energy losses present in multicomponent systems that require a photosensitizer and a catalyst, often employing additional redox relay molecules. Here, the series of complexes derived from cis-[Rh 2 (μ-DPhF) 2 (μ-bncn) 2 ] 2+ (1; DPhF = N,N′-diphenylformamidinate, bncn = benzo[c]cinnoline) discussed in this Account presents robust and air-stable single-molecule photocatalysts with panchromatic absorption from the ultraviolet spectral region to the near-infrared (NIR), with high turnover frequencies of ∼20 to 30 h –1 under red light irradiation. For comparison, other single-molecule hydrogen-evolving photocatalysts reported to date exhibit low photocatalytic efficiency, are not operable in the visible or NIR regions, and are unstable under an ambient atmosphere.

Absorption↗

Hydrodynamics of binary coalescence. 2: Polytropes with gamma = 5/3

We present a new numerical study of the equilibrium and stability properties of close binary systems. We use the smoothed-particle hydrodynamics (SPH) technique both to construct accurate equilibrium configurations in three dimensions and to follow their hydrodynamic evolution. We adopt a simple polytropic equation of state p = K(sub rho)(exp gamma) with gamma = 5/3 and K = constant within each star, applicable to low-mass degenerate dwarfs as well as low-mass main-sequence stars. For degenerate configurations, we set the two polytropic constants equal, K = K prime, independent of the mass ratio. For main-sequence stars, we adjust K and K prime so as to obtain a simple mass-radius relation of the form R/R prime = M/M prime, where R prime and M prime are the radius and mass of the secondary. Along a sequence of binary equilibrium configurations for two identical stars, we demonstrate the existence of both secular and dynamical instabilities, confirming directly the results of recent analytic work. We use the SPH method to calculate the nonlinear development of the dynamical instability and to determine the final fate of the system. We find that the two stars merge together into a single, rapidly rotating object in just a few orbital periods. Equilibrium sequences are also constructed for systems containing two nonidentical stars. These sequences terminate at a Roche limit, which we can determine very accurately using SPH. For two low-mass main-sequence stars with mass ratio q approximately less than 0.4 we find that the (synchronized) Roche limit configuration is secularly unstable. We discuss the implications of our results for the evolution of double white-dwarf systems and W Ursae Majoris binaries.

Rasio, Frederic A.↗