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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Sulfur isotopes from the Paleoproterozoic Francevillian Basin record multigenerational pyrite formation, not depositional conditions

Bulk-rock sulfur isotope data from pyrite in the ~2.1 billion-year sedimentary rocks of the Francevillian Basin, Gabon, have underpinned ideas about initial oxygenation of Earth’s surface environments and eukaryote evolution. In this paper, we show, using micro-scale analytical methods, that the bulk sulfur isotope record represents progressive diagenetic modification. Our findings indicate no significant change in microbial sulfur cycling processes and seawater sulfate composition throughout that initial phase of atmosphere-ocean oxygenation of Paleoproterozoic time. This offers an alternative view of Earth system evolution during the transition from an anoxic to an oxic state and highlights the need for a judicious reappraisal of conceptual models using sulfur isotope data as primary depositional signals linked to global-scale biogeochemical processes.

58 GEOSCIENCES↗
DOE OSTI2025

Beyond traditional diagnostics: Identifying active galactic nuclei using spectral energy distribution fitting in DESI data

Active galactic nuclei (AGN) are typically identified through their distinctive X-ray or radio emissions, mid-infrared (MIR) colors, or emission lines. However, each method captures different subsets of AGN due to signal-to-noise (S/N) limitations, redshift coverage, and extinction effects, underscoring the necessity for a multiwavelength approach for comprehensive AGN samples. This study explores the effectiveness of spectral energy distribution (SED) fitting as a robust method for AGN identification. Using CIGALE optical-MIR SED fits on DESI Early Data Release galaxies, we compare SED-based AGN selection (AGNFRAC ≥ 0.1) with traditional methods including BPT diagrams, WISE colors, X-ray, and radio diagnostics. The SED fitting identifies ∼70% of narrow- and broad-line AGN and 87% of WISE-selected AGN. Incorporating high S/N WISE photometry reduces star-forming galaxy contamination from 62% to 15%. Initially, ∼50% of SED-AGN candidates are undetected by standard methods, but additional diagnostics classify ∼85% of these sources, revealing low-ionization nuclear emission-line regions and retired galaxies potentially representing evolved systems with weak AGN activity. Further spectroscopic and multiwavelength analysis will be essential to determine the true AGN nature of these sources. SED fitting provides complementary AGN identification, unifying multiwavelength AGN selections. This approach enables more complete – albeit somewhat contaminated – AGN samples, which are essential for upcoming large-scale surveys where spectroscopic diagnostics may be limited.

Seyfert↗
DOE OSTI2016

Probing and exploiting the chaotic dynamics of a hydrodynamic photochemical oscillator to implement all the basic binary logic functions

The convective motions within a solution of a photochromic spiro-oxazine being irradiated by UV only on the bottom part of its volume, give rise to aperiodic spectrophotometric dynamics. In this paper, we study three nonlinear properties of the aperiodic time series: permutation entropy, short-term predictability and long-term unpredictability, and degree distribution of the visibility graph networks. After ascertaining the extracted chaotic features, we show how the aperiodic time series can be exploited to implement all the fundamental two-inputs binary logic functions (AND, OR, NAND, NOR, XOR, and XNOR) and some basic arithmetic operations (half-adder, full-adder, half-subtractor). This is possible due to the wide range of states a nonlinear system accesses in the course of its evolution. Therefore, the solution of the convective photochemical oscillator results in hardware for chaos-computing alternative to conventional complementary metal-oxide semiconductor-based integrated circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Combined effects of vertical and lateral confinement on the magnetic properties of MnAs micro and nano-ribbons

The micromagnetic domain structure of MnAs films gave place to an intense research activity in the last few years due to its potential application in magneto-electronic devices such as domain-wall track memories and logic circuits. These applications require a full knowledge of miniaturization effects on the magnetic properties of the material. In this work, X-ray photoemission electron microscopy has been used for imaging magnetic domains in lithographically fabricated MnAs ribbons, addressing the dependence of the domain configuration on film thickness and ribbon width. Our experiments show a transition from head-on to regular stripe domains below a critical width/thickness ratio w{sub c} ≈ 6. Micromagnetic simulations suggest that this transition is correlated to the magnetic structure of the surface plane. Depending on the ribbon width and thickness, the magnetic configuration is shown to evolve from flux-closure domain structure to a state of almost homogeneous magnetization, observed for narrower ribbons. The evolution of the domain structure, magnetic fraction, and magnetization with temperature has been studied across the ferromagnetic/paramagnetic transition. Our experiments show that the magnetic configuration in ribbons exhibits higher stability to temperature variations than in as-cast films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

A deep learning enabler for nonintrusive reduced order modeling of fluid flows

Here in this paper, we introduce a modular deep neural network (DNN) framework for data-driven reduced order modeling of dynamical systems relevant to fluid flows. We propose various DNN architectures which numerically predict evolution of dynamical systems by learning from either using discrete state or slope information of the system. Our approach has been demonstrated using both residual formula and backward difference scheme formulas. However, it can be easily generalized into many different numerical schemes as well. We give a demonstration of our framework for three examples: (i) Kraichnan-Orszag system, an illustrative coupled nonlinear ordinary differential equation, (ii) Lorenz system exhibiting chaotic behavior, and (iii) a nonintrusive model order reduction framework for the two-dimensional Boussinesq equations with a differentially heated cavity flow setup at various Rayleigh numbers. Using only snapshots of state variables at discrete time instances, our data-driven approach can be considered truly nonintrusive since any prior information about the underlying governing equations is not required for generating the reduced order model. Our a posteriori analysis shows that the proposed data-driven approach is remarkably accurate and can be used as a robust predictive tool for nonintrusive model order reduction of complex fluid flows.

42 ENGINEERING↗
DOE OSTI2026

Photoenzymatic Csp 3 –Csp 3 bond formation via enzyme-templated radical–radical coupling

Cross-couplings are essential reactions in modern chemical synthesis, enabling the rapid construction of complex molecules from simple precursors. Transition metal catalysts are prized for these transformations because their reactivity and selectivity can be tuned via judicious selection of the metal and ligand. Although enzymes offer analogous opportunities for tuning via protein engineering, their application to cross-coupling remains limited, as nature relies on alternative paradigms for building molecular complexity. Here, we report the cross-coupling of alkyl halides and benzylic carboxylic acids using an engineered flavin-dependent lactate monooxygenase—a photoenzyme. The enzyme achieves this feat by exploiting the redox versatility of the flavin cofactor. Stoichiometric experiments, ultrafast spectroscopy, and computational studies support a mechanism in which photoexcited flavin quinone initiates the reaction via oxidative decarboxylation to generate a benzylic radical. The resulting flavin semiquinone can reduce the alkyl halide to form a second organic radical within the protein active site, which rapidly engages in C(sp 3 )–C(sp 3 ) bond formation. A variant was engineered to control the stereochemical outcome of this radical–radical coupling event, highlighting the ability of the protein to alter the energetic barrier for a mechanistic step that is traditionally understood to be near barrierless. This work demonstrates that the scope for nonnative reaction mechanisms in biocatalysis far exceeds previously established bounds and has potential to solve a variety of reactivity challenges in cross-coupling chemistry.

biocatalysis↗
DOE OSTI2021

On the stability and stationarity of the Super H-mode combined with an ion transport barrier in the core

The Super H-mode, a regime with high pedestal pressure and stored energy, is explored on DIII-D and combined with an ion transport barrier in the plasma core to increase performance. A significant improvement of ion temperatures and confinement is facilitated by favorable conditions such as high rotational shear and high ion pedestal temperatures. As a result of a rise in density and simultaneous decrease in rotation, the ion transport barrier disappears during the discharge evolution, leading to a transition from a very high confinement state at early times, to a reduced but still high confinement phase. Additionally, in many discharges, a global MHD event consistent with the coupling of a destabilized internal mode to an edge localized mode (ELM) causes a large energy loss and leads to a reorganization of the plasma into a lower temperature, higher density state. Depending on the magnitude of the global MHD event, the plasma edge collisionality can increase significantly and shift the operational boundary from the peeling to the ballooning side, which can be understood as a drop out of the Super H-mode channel into standard H-mode. Hence, in Super H-mode discharges with ion transport barriers, both the improved pedestal height and rotational shear contribute to the high stored energy. Here, at very low levels of rotation, the confinement factor for SH modes is still expected to exceed standard H-mode by 20-30 %. With their overall stationarity and high-performance levels, Super H-mode discharges provide an attractive regime for ITER and may enable a more compact design of future fusion power plants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Imaging nuclei by smashing them at high energies: how are their shapes revealed after destruction?

High-energy nuclear collisions have recently emerged as a promising ‘imaging-by-smashing’ approach to reveal the intrinsic shapes of atomic nuclei. Here, I outline a conceptual framework for this technique, explaining how nuclear shapes are encoded during quark–gluon plasma (QGP) formation and evolution, and how they can be decoded from final-state particle distributions. Furthermore, I highlight the method’s potential to advance our understanding of both nuclear structure and QGP physics.

imaging by smashing↗
DOE OSTI2022

Measuring the mass of the black widow PSR J1555-2908

ABSTRACT Accurate measurements of the masses of neutron stars are necessary to test binary evolution models, and to constrain the neutron star equation of state. In pulsar binaries with no measurable post-Keplerian parameters, this requires an accurate estimate of the binary system’s inclination and the radial velocity of the companion star by other means than pulsar timing. In this paper, we present the results of a new method for measuring this radial velocity using the binary synthesis code Icarus. This method relies on constructing a model spectrum of a tidally distorted, irradiated star as viewed for a given binary configuration. This method is applied to optical spectra of the newly discovered black widow PSR J1555–2908. By modeling the optical spectroscopy alongside optical photometry, we find that the radial velocity of the companion star is 397 ± 4 km s−1 (errors quoted at 95 per cent confidence interval), as well as a binary inclination of >75°. Combined with γ-ray pulsation timing information, this gives a neutron star mass of 1.67$^{+0.15}_{-0.09}$ M⊙ and a companion mass of 0.060$^{+0.005}_{-0.003}$ M⊙, placing PSR J1555–2908 at the observed upper limit of what is considered a black widow system.

Kennedy, M. R.↗
DOE OSTI2023

More relaxed intracluster gas than galaxies in clusters in quasi-equilibrium

ABSTRACT During cluster mergers, the intracluster gas and member galaxies undergo dynamic evolution, but at different time-scales and reach different states. We collect 24 galaxy clusters in quasi-equilibrium state as indicated by the X-ray image, and calculate the cluster orientations and three kinds of dynamical parameters, i.e. the normalized centroid offset, the sphere index, and the ellipticity, for these clusters from the distributions of member galaxies and also the intracluster gas. We find consistent alignments for the orientations estimated from the two components. However, the three kinds of dynamical parameters indicated by member galaxies are systematically larger than those derived from the gas component, suggesting that the gas component is more relaxed than member galaxies. Differences of dynamical features between the intracluster gas and member galaxies are independent of cluster mass and concentration. We conclude that the intracluster gas reaches the dynamic equilibrium state earlier than the almost-collisionless member galaxies.

Astronomy & Astrophysics↗
DOE OSTI2025

Hybrid quantum simulations with qubits and qumodes on trapped-ion platforms

We explore the feasibility of gate-based hybrid quantum computing using both discrete (qubit) and continuous (qumode) variables on trapped-ion platforms. Trapped-ion systems have demonstrated record one- and two-qubit gate fidelities and long qubit coherence times, while qumodes, which can be represented by the collective vibrational modes of the ion chain, have remained relatively unex- plored for their use in computing. Using numerical simulations, we show that high-fidelity hybrid gates and measurement operations can be achieved for existing trapped-ion quantum platforms. As an exemplary application, we consider quantum simulations of the Jaynes-Cummings-Hubbard model, which is given by a one-dimensional chain of interacting spin and boson degrees of free- dom. Using classical simulations, we study its real-time evolution and develop a suitable variational quantum algorithm for ground state preparation. Furthermore, our results motivate further studies of hybrid quantum computing in this context, which may lead to direct applications in condensed matter and fundamental particle and nuclear physics.

Lower-dimensional field theories↗
DOE OSTI2019

Continuous-time quantum walks on dynamic graphs

Continuous-time quantum walks (CTQWs) on static graphs provide efficient methods for search and sampling as well as a model for universal quantum computation. We consider an extension of CTQWs to the case of dynamic graphs, in which an ordered sequence of graphs governs free evolution of the quantum walk. We then consider how perfect state transfer during the quantum walk can be used to design dynamic graphs that implement a universal set of quantum logic gates. We give explicit examples for a complete logical basis, and we validate implementations using numerical simulations for quantum teleportation and addition circuits. Lastly, we discuss the potential for realizing CTQWs on dynamic graphs using actively controlled quantum optical waveguides.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

Open-system spin transport and operator weight dissipation in spin chains

Here, we use nonequilibrium steady states to study the effect of dissipation-assisted operator evolution (DAOE) on the scaling behavior of transport in one-dimensional spin chains. We consider three models in the XXZ family: the XXZ model with staggered anisotropy, which is chaotic; XXZ model with no external field and tunable interaction, which is Bethe-ansatz integrable and (in the zero interaction limit) free-fermion integrable; and the disordered XY model, which is free-fermion integrable and Anderson localized. We find evidence that DAOE's effect on transport is controlled by its effect on the system's conserved quantities. To the extent that DAOE preserves those symmetries, it preserves the scaling of the system's transport properties; to the extent it breaks those conserved quantities, it pushes the system towards diffusive scaling of transport.

1-dimensional spin chains↗
DOE OSTI2023

Location and thermal evolution of the pseudogap due to spin fluctuations

We study pseudogap behavior in a metal near a spin density wave (SDW) instability due to thermal magnetic fluctuations. We consider the t–t' Hubbard model on a square lattice at a finite doping, at intermediate coupling strength, and analyze the thermal evolution of the electron spectral function between a SDW ordered state at low temperatures and a normal Fermi liquid at high temperatures. We argue that for proper description of the pseudogap one needs to sum up infinite series of diagrams for both the fermionic self-energy and the SDW order parameter in the SDW state or the magnetic correlation length in the paramagnetic state. We use the eikonal approach to sum up an infinite series of diagrammatic contributions from thermal fluctuations. Earlier studies found that in the SDW state the spectral function A k (ω) of a hot fermion at a finite T is exponentially small below the energy scale Δ(T), which scales with SDW order and vanishes at the ordering temperature T N , and has a hump at a larger frequency Δ PG , comparable to the zero-temperature SDW gap Δ(T = 0). We argue that the hump, which we associate with the pseudogap, survives in some T range above T N . We show that this range is split by regions of strong and weak pseudogap behavior. In the first region, Δ PG is weakly temperature dependent, despite the fact that it comes from thermal fluctuations. Such a behavior has been seen in numerical studies of the Hubbard model. We show that to obtain it one needs to go beyond the one-loop approximation and sum up the infinite series of diagrams. In the second regime, Δ PG decreases with increasing T and eventually vanishes. Here, we further argue that a magnetic pseudogap at a finite T emerges only if the ground state is magnetically ordered. We present the phase diagram and apply the results to high-T c cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Europium mixed-valence, long-range magnetic order, and dynamic magnetic response in EuCu 2 ( Si x Ge 1 - x ) 2

In mixed-valence or heavy-fermion systems, the hybridization between local f orbitals and conduction band states can cause the suppression of long-range magnetic order, which competes with strong spin uctuations. Ce- and Yb-based systems have been found to exhibit fascinating physical properties (heavy-fermion superconductivity, non-Fermi-liquid states, etc.) when tuned to the vicinity of magnetic quantum critical points by use of various external control parameters (temperature, magnetic eld, chemical composition). Recently, similar effects (mixed-valence, Kondo uctuations, heavy Fermi liquid) have been reported to exist in some Eu-based compounds. Unlike Ce (Yb), Eu has a multiple electron (hole) occupancy of its 4f shell, and the magnetic Eu 2+ state (4f 7 ) has no orbital component in the usual LS coupling scheme, which can lead to a quite different and interesting physics. In the EuCu 2 (Si x Ge 1-x ) 2 series, where the valence can be tuned by varying the Si/Ge ratio, it has been reported that a significant valence uctuation can exist even in the magnetic order regime. This paper presents a detailed study of the latter material using different microscopic probes (XANES, Mossbauer spectroscopy, elastic and inelastic neutron scattering), in which the composition dependence of the magnetic order and dynamics across the series is traced back to the change in the Eu valence state. In particular, the results support the persistence of valence uctuations into the antiferromagnetic state over a sizable composition range below the critical Si concentration x c ≈ 0:65. In conclusion, the sequence of magnetic ground states in the series is shown to re ect the evolution of the magnetic spectral response.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Quasi-two-dimensional spin correlations in the triangular lattice bilayer spin glass LuCoGaO 4

Here we present a single-crystal time-of-flight neutron scattering study of the static and dynamic spin correlations in LuCoGaO 4 , a quasi-two-dimensional dilute triangular lattice antiferromagnetic spin-glass material. This system is based on Co 2+ ions that are randomly distributed on triangular bilayers within the YbFe 2 O 4 type, hexagonal crystal structure. Antiferromagnetic short-range two-dimensional correlations at wave vectors Q = (1/3,1/3, L) develop within the bilayers at temperatures as high as |Θ CW | ~100 K and extend over roughly five unit cells at temperatures below T g = 19 K. These two-dimensional static correlations are observed as diffuse rods of neutron scattering intensity along c * and display a continuous spin freezing process in their energy dependence. Aside from exhibiting these typical spin-glass characteristics, this insulating material reveals a novel gapped magnetic resonant spin excitation at ΔE ~12 meV localized around Q = (1 / 3, 1 / 3,L) . The temperature dependence of the spin gap associated with this two-dimensional excitation correlates with the evolution of the static correlations into the spin-glass state ground state. Lastly, we associate it with the effect of the staggered exchange field acting on the S eff = 1/2 Ising-like doublet of the Co 2+ moments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electrical Tuning of Exciton Binding Energies in Monolayer WS 2

We demonstrate continuous tuning of the exciton binding energy in monolayer WS 2 by means of an externally applied voltage in a field-effect transistor device. Using optical spectroscopy, we monitor the ground and excited excitonic states as a function of gate voltage and track the evolution of the quasiparticle band gap. Here, the observed decrease of the exciton binding energy over the range of about 100 meV, accompanied by the renormalization of the quasiparticle band gap, is associated with screening of the Coulomb interaction by the electrically injected free charge carriers at densities up to 8 × 10 12 cm –2 . Complete ionization of the excitons due to the electrical doping is estimated to occur at a carrier density of several 10 13 cm –2 .

42 ENGINEERING↗