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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

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↗
DOE OSTI2016

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↗
DOE OSTI2017

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↗
DOE OSTI2023

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↗
DOE OSTI2024

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)↗
DOE OSTI2026

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 ↗
DOE OSTI2024

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↗
DOE OSTI2025

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↗
NASA NTRS1995

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.↗
NASA NTRS1987

An analysis of the crossover between local and massive separation on airfoils

Massive separation on airfoils operating at high Reynolds number is an important problem to the aerodynamicist, since its onset generally determines the limiting performance of an airfoil, and it can lead to serious problems related to aircraft control as well as turbomachinery operation. The phenomenon of crossover between local separation and massive separation on realistic airfoil geometries induced by airfoil thickness is investigated for low speed (incompressible) flow. The problem is studied both for the asymptotic limit of infinite Reynolds number using triple-deck theory, and for finite Reynolds number using interacting boundary-layer theory. Numerical results are presented which follow the evolution of the flow as it develops from a mildly separated state to one dominated by the massively separated flow structure as the thickness of the airfoil geometry is systematically increased. The effect of turbulence upon the evolution of the flow is considered, and the impact is significant, with the principal effect being the suppression of the onset of separation. Finally, the effect of surface suction and injection for boundary-layer control is considered. The approach which was developed provides a valuable tool for the analysis of boundary-layer separation up to and beyond stall. Another important conclusion is that interacting boundary-layer theory provides an efficient tool for the analysis of the effect of turbulence and boundary-layer control upon separated vicsous flow.

Barnett, M.↗
DOE OSTI2019

Deciphering the Stress State of Seismogenic Faults in Oklahoma and Southern Kansas Based on an Improved Stress Map

Fault location and geometry are prime considerations in the reactivation of preexisting faults. Here, we combine relocated earthquake catalogs and focal mechanisms to delineate seismogenic faults in Oklahoma and southern Kansas and analyze their stress state. Initially, we identify and map seismogenic faults based on earthquake clustering. We then obtain an improved stress map using 2,047 high-quality focal mechanisms. The regional stress map shows a gradual transition from oblique normal faulting in western Oklahoma to strike-slip faulting in central and eastern Oklahoma. Stress amplitude ratio shows a strong correlation with pore pressure from hydrogeologic models, suggesting that pore pressure exhibits a measurable influence on stress patterns. Finally, we assess fault stress state via 3-D Mohr circles; a parameter understress is used to quantify the level of fault criticality (with 0 meaning critically stressed faults and 1 meaning faults with no applied shear stress). Our findings suggest that most active faults have near vertical planes (planarity >0.8 and dip >70°), and there is a strong correlation between fault length and maximum magnitude on each fault. The fault trends show prominent conjugate sets that strike [55–75°] and [105–125°]. A comparison with mapped sedimentary faults and basement fractures reveals common tectonic control. Based on 3-D Mohr circles, we find that 78% of the faults are critically stressed (understress ≤0.2), while several seismogenic faults are misoriented with high understress (>0.4). Fault geometry and local stress fields may be used to evaluate potential seismic hazard, as the largest earthquakes tend to occur on long, critically stressed faults.

58 GEOSCIENCES↗
DOE OSTI2016

Fractional quantum Hall bilayers at half filling: Tunneling-driven non-Abelian phase

Multicomponent quantum Hall systems with internal degrees of freedom provide a fertile ground for the emergence of exotic quantum liquids. Here, we investigate the possibility of non-Abelian topological order in the half-filled fractional quantum Hall (FQH) bilayer system driven by the tunneling effect between two layers. By means of the state-of-the-art density-matrix renormalization group, we unveil “fingerprint” evidence of the non-Abelian Moore-Read Pfaffian state emerging in the intermediate-tunneling regime, including the ground-state degeneracy on the torus geometry and the topological entanglement spectroscopy (entanglement spectrum and topological entanglement entropy) on the spherical geometry, respectively. Remarkably, the phase transition from the previously identified Abelian (331) Halperin state to the non-Abelian Moore-Read Pfaffian state is determined to be continuous, which is signaled by the continuous evolution of the universal part of the entanglement spectrum, and discontinuities in the excitation gap and the derivative of the ground-state energy. Our results not only provide a “proof-of-principle” demonstration of realizing a non-Abelian state through coupling different degrees of freedom, but also open up a possibility in FQH bilayer systems for detecting different chiral p-wave pairing states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

Theory and modeling of atmospheric turbulence, part 1

The cascade transfer which is the only function to describe the mode coupling as the result of the nonlinear hydrodynamic state of turbulence is discussed. A kinetic theory combined with a scaling procedure was developed. The transfer function governs the non-linear mode coupling in strong turbulence. The master equation is consistent with the hydrodynamical system that describes the microdynamic state of turbulence and has the advantages to be homogeneous and have fewer nonlinear terms. The modes are scaled into groups to decipher the governing transport processes and statistical characteristics. An equation of vorticity transport describes the microdynamic state of two dimensional, isotropic and homogeneous, geostrophic turbulence. The equation of evolution of the macrovorticity is derived from group scaling in the form of the Fokker-Planck equation with memory. The microdynamic state of turbulence is transformed into the Liouville equation to derive the kinetic equation of the singlet distribution in turbulence. The collision integral contains a memory, which is analyzed with pair collision and the multiple collision. Two other kinetic equations are developed in parallel for the propagator and the transition probability for the interaction among the groups.

Source record↗
DOE OSTI2017

Meteorite constraints on Martian atmospheric loss and paleoclimate

The evolution of Mars' atmosphere to its currently thin state incapable of supporting liquid water remains poorly understood and has important implications for Martian climate history. Martian meteorites contain trapped atmospheric gases that can be used to constrain both the timing and effectiveness of atmospheric escape processes. Here in this article, measurements of xenon isotopes in two ancient Martian meteorites, ALH 84001 and NWA 7034, are reported. The data indicate an early episode of atmospheric escape that mass fractionated xenon isotopes culminated within a few hundred million years of planetary formation, and little change to the atmospheric xenon isotopic composition has occurred since this time. In contrast, on Earth atmospheric xenon fractionation continued for at least two billion years (Pujol et al., 2011). Such differences in atmospheric Xe fractionation between the two planets suggest that climate conditions on Mars may have differed significantly from those on Archean Earth. For example, the hydrogen escape flux may not have exceeded the threshold required for xenon escape on Mars after 4.2–4.3 Ga, which indicates that Mars may have been significantly drier than Earth after this time.

58 GEOSCIENCES↗
DOE OSTI2026

Spacetime quantum mechanics for bosonic and fermionic systems

We provide a Hilbert space approach to quantum mechanics where space and time are treated on an equal footing. Our approach replaces the standard dependence on an external classical time parameter with a spacetime-symmetric algebraic structure, thereby unifying the axioms that traditionally distinguish the treatment of spacelike and timelike separations. Standard quantum evolution can be recovered from timelike correlators, defined by means of a quantum action operator, a quantum version of the action of classical mechanics. The corresponding map also provides an alternative perspective on the path integral formulation that, in the case of fermions, does not require the use of Grassmann variables. In addition, the formalism can be interpreted in terms of generalized quantum states, codifying both the conventional information of a quantum system at a given time and its evolution. We show that these states are solutions to a quantum principle of stationary action grounded in timelike correlations and pseudo-entropies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Modeling and simulation framework for dynamic strain localization in elasto-viscoplastic metallic materials subject to large deformations

This study describes a theoretical and computational framework for the treatment of adiabatic shear band formation in rate-sensitive polycrystalline metallic materials. From a computational perspective, accurate representation of strain localization behavior has been a long-standing challenge. In addition, the underlying physical mechanisms leading to the localization of plastic deformation are still not fully understood. The proposed framework is built around an enhanced-strain finite element formulation, designed to alleviate numerical pathologies known to arise in localization problems, by allowing a localization band of given finite width (weak discontinuity) to be embedded within individual elements. The mechanical threshold strength (MTS) model is used to represent the temperature and strain rate-dependent viscoplastic response of the material. This classical flow stress model employs an internal state variable to quantify the effect of dislocation structure evolution (work hardening and recovery). In light of growing evidence suggesting that the softening effect of dynamic recrystallization may play a significant role, alongside thermal softening, in the process of shear band formation and growth, a simple dynamic recrystallization model is proposed and cast within the context of the MTS model with the aid of the aforementioned internal state variable. An initiation criterion for shear localization in rate and temperature-sensitive materials is introduced and used in the present context of high-rate loading, where material rate-dependence is pronounced and substantial temperature increases are achieved due to the dissipative nature of viscoplastic processes. In addition, explicit time integration is adopted to facilitate treatment of the dynamic problems under consideration, where strain rates in excess of 10 4 s –1 are typically attained. Two series of experiments are conducted on AISI 316L stainless steel, employing the commonly used top-hat sample geometry and the Split-Hopkinson Pressure Bar dynamic test system. Axi-symmetric finite element simulation results are compared to cross-sectional micrographs of recovered samples and experimental load–displacement results, in order to examine the performance of the proposed framework and demonstrate its effectiveness in treating the initiation and growth of adiabatic shear banding in dynamically loaded metallic materials. These comparisons demonstrate that thermal softening alone is insufficient to induce shear localization behaviors observed in some materials, such as stainless steel, and support the hypothesis that dynamic recrystallization and/or other softening mechanisms play an essential role in this process.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Time-resolved observation of transient precursor state of CO on Ru(0001) using carbon K-edge spectroscopy

The transient dynamics of carbon monoxide (CO) molecules on a Ru(0001) surface following femtosecond optical laser pump excitation has been studied by monitoring changes in the unoccupied electronic structure using an ultrafast X-ray free-electron laser (FEL) probe. The particular symmetry of perpendicularly chemisorbed CO on the surface is exploited to investigate how the molecular orientation changes with time by varying the polarization of the FEL pulses. The time evolution of spectral features corresponding to the desorption precursor state was well distinguished due to the narrow line-width of the C K-edge in the X-ray absorption (XA) spectrum, illustrating that CO molecules in the precursor state rotated freely and resided on the surface for several picoseconds. Most of the CO molecules trapped in the precursor state ultimately cooled back down to the chemisorbed state, while we estimate that ~14.5 ± 4.9% of the molecules in the precursor state desorbed into the gas phase. Finally, it was also observed that chemisorbed CO molecules diffused over the metal surface from on-top sites toward highly coordinated sites. In addition, a new “vibrationally hot precursor” state was identified in the polarization-dependent XA spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗