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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Radiative lifetimes and dipole moments of the A 2Sigma/+/, B 2Sigma /+/, and C 2Sigma/+/ states of OH

After describing independent theoretical studies of the eigenfunctions of the X 2Pi and excited A 2Sigma(+), B 2Sigma(+), and C 2Sigma(+) states of OH, results are presented for the transition dipole moments connecting each excited state to the others and to the ground state. The radiative lifetimes derived from calculation of the bound-bound and bound-free vibrational band transition probabilities are compared with measured values, confirming recent measurements of the A 2Sigma(+) and C 2Sigma(+) states but not the lifetimes measured for the B 2Sigma(+) state.

Langhoff, S. R.↗
NASA NTRS1999

Time course of myosin heavy chain transitions in neonatal rats: importance of innervation and thyroid state

During the postnatal period, rat limb muscles adapt to weight bearing via the replacement of embryonic (Emb) and neonatal (Neo) myosin heavy chains (MHCs) by the adult isoforms. Our aim was to characterize this transition in terms of the six MHC isoforms expressed in skeletal muscle and to determine the importance of innervation and thyroid hormone status on the attainment of the adult MHC phenotype. Neonatal rats were made hypothyroid via propylthiouracil (PTU) injection. In normal and PTU subgroups, leg muscles were unilaterally denervated at 15 days of age. The MHC profiles of plantaris (PLN) and soleus (Sol) muscles were determined at 7, 14, 23, and 30 days postpartum. At day 7, the Sol MHC profile was 55% type I, 30% Emb, and 10% Neo; in the PLN, the pattern was 60% Neo and 25% Emb. By day 30 the Sol and PLN had essentially attained an adult MHC profile in the controls. PTU augmented slow MHC expression in the Sol, whereas in the PLN it markedly repressed IIb MHC by retaining neonatal MHC expression. Denervation blunted the upregulation of IIb in the PLN and of Type I in the Sol and shifted the pattern to greater expression of IIa and IIx MHCs in both muscles. In contrast to previous observations, these findings collectively suggest that both an intact thyroid and innervation state are obligatory for the attainment of the adult MHC phenotype, particularly in fast-twitch muscles.

Non-NASA Center↗
DOE OSTI2021

Electron–Phonon and Spin–Lattice Coupling in Atomically Thin Layers of MnBi 2 Te 4

MnBi 2 Te 4 represents a new class of magnetic topological insulators in which novel quantum phases emerge at temperatures higher than those found in magnetically doped thin films. Here in this paper, we investigate how couplings between electron, spin, and lattice are manifested in the phonon spectra of few-septuple-layer thick MnBi 2 Te 4 . After categorizing phonon modes by their symmetries, we study the systematic changes in frequency, line width, and line shape of a spectrally isolated A1g mode. The electron–phonon coupling increases in thinner flakes as manifested in a broader phonon line width, which is likely due to changes of the electron density of states. In 4- and 5-septuple thick samples, the onset of magnetic order below the Néel temperature is concurrent with a transition to an insulating state. We observe signatures of a reduced electron–phonon scattering across this transition as reflected in the reduced Fano parameter. Finally, spin–lattice coupling is measured and modeled from temperature-dependent phonon frequency.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Coherent correlation imaging for resolving fluctuating states of matter

Fluctuations and stochastic transitions are ubiquitous in nanometre-scale systems, especially in the presence of disorder. However, their direct observation has so far been impeded by a seemingly fundamental, signal-limited compromise between spatial and temporal resolution. Here we develop coherent correlation imaging (CCI) to overcome this dilemma. Our method begins by classifying recorded camera frames in Fourier space. Contrast and spatial resolution emerge by averaging selectively over same-state frames. Temporal resolution down to the acquisition time of a single frame arises independently from an exceptionally low misclassification rate, which we achieve by combining a correlation-based similarity metric with a modified, iterative hierarchical clustering algorithm. We apply CCI to study previously inaccessible magnetic fluctuations in a highly degenerate magnetic stripe domain state with nanometre-scale resolution. We uncover an intricate network of transitions between more than 30 discrete states. Our spatiotemporal data enable us to reconstruct the pinning energy landscape and to thereby explain the dynamics observed on a microscopic level. CCI massively expands the potential of emerging high-coherence X-ray sources and paves the way for addressing large fundamental questions such as the contribution of pinning and topology in phase transitions and the role of spin and charge order fluctuations in high-temperature superconductivity.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Data Automata in Scala

The field of runtime verification has during the last decade seen a multitude of systems for monitoring event sequences (traces) emitted by a running system. The objective is to ensure correctness of a system by checking its execution traces against formal specifications representing requirements. A special challenge is data parameterized events, where monitors have to keep track of the combination of control states as well as data constraints, relating events and the data they carry across time points. This poses a challenge wrt. efficiency of monitors, as well as expressiveness of logics. Data automata is a form of automata where states are parameterized with data, supporting monitoring of data parameterized events. We describe the full details of a very simple API in the Scala programming language, an internal DSL (Domain-Specific Language), implementing data automata. The small implementation suggests a design pattern. Data automata allow transition conditions to refer to other states than the source state, and allow target states of transitions to be inlined, offering a temporal logic flavored notation. An embedding of a logic in a high-level language like Scala in addition allows monitors to be programmed using all of Scala's language constructs, offering the full flexibility of a programming language. The framework is demonstrated on an XML processing scenario previously addressed in related work.

runtime verification↗
NASA NTRS1989

Theoretical study of metal noble-gas positive ions

Theoretical calculations have been performed to determine the spectroscopic constant for the ground and selected low-lying electronic states of the transition-metal noble-gas ions Var(+), FeAr(+), CoAr(+), CuHe(+), CuAr(+), and CuKr(+). Analogous calculations have been performed for the ground states of the alkali noble-gas ions LiAr(+), LiKr(+), NaAr(+), and KAr(+) and the alkaline-earth noble-gas ion MgAr(+) to contrast the difference in binding energies between the simple and transition-metal noble-gas ions. The binding energies increase with increasing polarizability of the noble-gas ions, as expected for a charge-induced dipole bonding mechanism. It is found that the spectroscopic constants of the X 1Sigma(+) states of the alkali noble-gas ions are well described at the self-consistent field level. In contrast, the binding energies of the transition-metal noble-gas ions are substantially increased by electron correlation.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2018

Numerical Investigation of Roughness Effects on Transition on Spherical Capsules

The state of the boundary layer on space re-entry vehicles significantly affects the design of the thermal protection system. However, the physical mechanism that leads to the laminar-turbulent boundary-layer transition on blunt spherical capsules remains an open question in literature. This work numerically assesses the potential of roughness-induced non-modal disturbance growth on re-entry capsules with a spherical-section forebody by optimal transient-growth theory and direct numerical simulation. Two different sets of wind-tunnel experiments are considered. Optimal transient-growth studies have been performed for the blunt capsule experiments at Mach 5.9 in the Hypersonic Ludwieg tube Braunschweig (HLB) of the Technische Universitat Braunschweig. In some of these measurements, the capsule model was equipped with a specifically designed patch of distributed micron-sized surface roughness. The transient-growth results for the HLB capsule are compared to corresponding numerical data for a Mach 6 blunt capsule experiment in the Adjustable Contour Expansion (ACE) facility of the Texas A&M University (TAMU) at lower Reynolds number. Similar trends are observed for both configurations. In particular, a rather low maximum energy gain is noted for the surface temperature conditions of the experiments. It is shown that the surface temperature dependence of the optimal transient-growth results is very similar for both capsule configurations. Moreover, the generation of stationary disturbances by well-defined roughness patches on the capsule surface is studied for the conditions of the HLB experiment using direct numerical simulations (DNS). To help explain the observed laminar-turbulent transition downstream of the roughness patch in some of the HLB capsule experiments, additional simulations were carried out to study the evolution of unsteady perturbations within the steady disturbance flow field due to the roughness patch. However, the DNS did not provide any indication of modal or non-modal disturbance growth in the wake of the roughness patch, and hence, the physical mechanism underlying the observed onset of transition remains unknown.

Hein, Stefan↗
NASA NTRSDate not supplied

Some Effects of Tunnel Noise on Cylinder-Induced Mach 6 Transitional Shock Wave Boundary Layer Interactions

Experiments were conducted on a cylinder-induced shock wave boundary layer interaction (SBLI)as its state was brought through transition using a combination of boundary layer trips and Reynolds number sweep. A baseline case with no trips was also examined. The measurements were made in a Mach 6 freestream in the well-characterized Actively Controlled Expansion tunnel, which demonstrated a near tripling in fluctuation levels with unit Reynolds number increase from 3.0 to 3.5 million per meter. Surface oil flow and schlieren images suggested the jump in freestream noise served as the impetus for SBLI transition since the flow separation distance began to decrease as the Reynolds number progressed through those conditions. Likewise, surface mounted Kulite® pressure transducers indicated a rise in surface pressure fluctuations as well as initial growth in the instability responsible for transitioning the boundary layer within the interaction. Finally, heat transfer rates within the tripped SBLI were shown to be affected by the jump in freestream disturbance levels.

Andrew N Leidy↗
DOE OSTI2023

Quantum criticality and topology in non-equilibrium systems

A key goal of condensed matter physics research is to identify new phases of matter, and to understand the universal features of the phase transitions between them. In the past decade, physicists have uncovered a wealth of new phases with interesting surface properties, exemplified by the theoretical prediction and subsequent experimental discovery of topological insulators and superconductors. Traditional condensed matter systems are usually in a thermal equilibrium state and typically at very low temperature. Very recently, experimental advances have sparked interest in the non-equilibrium setting. Non-equilibrium systems can host new phases and phenomena with no equilibrium counterpart, and could also enable robust ways to build quantum memory devices to store and manipulate quantum information in a coherent manner. These phases and phenomena are inherently “dynamical”: they are described not by changes in the arrangement or structure of the constituent particles, but instead marked by sharp distinctions in how the particles move and exchange energy or quantum information. The discovery of robust non-equilibrium phases raises many fundamental questions: Can we develop a systematic theory of states of matter and of dynamical transitions between such states? How can such states be realized and probed experimentally? The main goal of this project was to explore the emergence of topological phases and quantum criticality (two cornerstones of modern condensed matter physics in equilibrium) in such non-equilibrium quantum systems. Specific goals included (1) using tensor networks to efficiently represent non-equilibrium states of matter and their phase transitions; (2) studying and designing new probes for periodically driven systems; and (3) developing analytic and numerical tools to analyze non-equilibrium topological phase transitions. Advances in these directions were achieved using novel techniques appropriate to study the non-equilibrium dynamics in many-body quantum systems combining strong interactions and randomness. Taken together, these results provide a new conceptual framework for understanding the emergence of quantum critical and topological properties in quantum systems far from thermal equilibrium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Intrinsic topological Weyl phase transition induced by a magnetostructural transformation in a kagome magnet

Topological phase transitions provide a unique window into the interplay between structure, magnetism, and Weyl physics in magnetic Weyl semimetals. However, realizing an intrinsic Weyl phase transition between two distinct Weyl states near room temperature remains challenging. Here, we demonstrate that a magnetostructural transition effectively induces such a transition in the kagome magnet Mn3Ga. High-resolution neutron diffraction, magnetization characterizations and first-principles calculations reveal that Mn3Ga undergoes a chiral antiferromagnetic transition below 485 K, followed by a magnetostructural transition to a monoclinic structure with highly canted antiferromagnetic order near room temperature. These cooperative changes in lattice and magnetic symmetries reorganize Weyl nodes, driving a transition from a primary type-II Weyl state to a distinct Weyl state, accompanied by dramatic variations in the anomalous Hall effect and appearance of topological Hall effect. Our findings open a new pathway for discovering novel topological Weyl states and advancing potential spintronic applications.

Yang, Tsung-Han [ORNL] (ORCID:000000030186302X)↗
DOE OSTI2025

Stabilizing Non-Abelian Topological Order Against Heralded Noise via Local Lindbladian Dynamics

An important open question for the current generation of highly controllable quantum devices is understanding which phases can be realized as stable steady states under local quantum dynamics. In this work, we show how robust steady-state phases with both Abelian and non-Abelian mixed-state topological order can be stabilized, in two spatial dimensions, against generic “heralded” noise using active dynamics that incorporate measurement and feedback, modeled as a fully local Lindblad master equation. These topologically ordered steady states are two-way connected to pure topologically ordered ground states using local quantum channels, and preserve quantum information for a time that is exponentially large in the system size. Specifically, we present explicit constructions of families of local Lindbladians for both Abelian (ℤ 2 ) and non-Abelian (𝐷 4 ) topological order whose steady states host mixed-state topological order when the noise is below a threshold strength. As the noise strength is increased, these models exhibit first-order transitions to intermediate mixed-state phases where they encode robust classical memories, followed by (first-order) transitions to a trivial steady state at high noise rates. When the noise is imperfectly heralded, steady-state order disappears but our active dynamics significantly enhances the lifetime of the encoded logical information. To carry out the numerical simulations for the non-Abelian 𝐷 4 case, we introduce a generalized stabilizer tableau formalism that permits efficient simulation of the non-Abelian Lindbladian dynamics.

Monte Carlo methods↗
DOE OSTI2021

Phase-Transition Interlayer Enables High-Performance Solid-State Sodium Batteries with Sulfide Solid Electrolyte

All-solid-state sodium (Na) batteries (ASSSBs) using sulfide-based solid electrolytes (SEs) have attracted intensive attention due to their superior safety, high energy density and low cost. However, interfacial issue is one of the biggest challenges to achieve high-performance sulfide-based ASSSBs due to the serious reactions between active Na metal and sulfide SEs at the interface. To address the interfacial challenges, we propose in this paper a simple and efficient approach by introducing a polymer electrolyte as an interlayer to stabilize the interface. Na 3 SbS 4 as a model sulfide SE is used to demonstrate the interlayer strategy to stabilize the interface by preventing the detrimental reactions and inhibiting Na dendrites. As a result, stable Na plating/stripping was observed in Na symmetric cells under the current density of 0.1 mA cm –2 . Moreover, ASSSBs with Na metal and TiS 2 electrode delivered long-term stability over 300 cycles remaining a specific capacity above 100 mAh g –1 , and FeS 2 ||Na cells exhibited an impressive specific capacity of up to 200 mAh g –1 after the 20th cycles. This work demonstrates an efficient strategy to address interfacial challenges between sulfide SEs and Na metal, which contributes to the development of ASSSBs in next-generation energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2025

Metallicity, Atomic Disorder, and Li-Ion Storage in Fast-Charging Anodes

Oxides of Nb with Wadsley-Roth shear structures comprise a family of stable, high-rate anode materials for Li-ion batteries. A particular pair of them offers the unusual opportunity to test how important metallic conduction of the starting electrode is for electrode performance. The selected pair of compounds with similar 4 × 3 Wadsley-Roth block structures are insulating Ti 2 Nb 10 O 29 and metallic Nb 12 O 29 . A combination of diffraction, electrochemistry, magnetic measurements, and entropic potential measurements is employed to establish key findings for these two anode materials. We find that starting with a metallic oxide is not especially advantageous over a comparable material that readily transitions into a metallic state upon lithiation. Second, the rate performance appears to be dictated by ion mobility, and atomic Ti/Nb disorder in Ti 2 Nb 10 O 29 contributes to improved capacity retention at high rates by suppressing Li-ion ordering. However, subtle details in the nature of redox processes make Nb 12 O 29 a slightly better electrode material for long-term cycling at slower rates.

crystal structure↗
DOE OSTI2020

Integrated Data Analysis to Improve Te and Zeff Measurement on NSTX-U

The multi-energy soft x-ray (ME-SXR) camera is a new concept for a fusion plasma diagnostic based on a pixelated detector with adjustable photon cutoff thresholds. It is a single, compact, solid-state detector which combines spatial and spectral sensitivity and can be configured remotely at run time, making it ideal for a fusion environment. The detector can be configured for application to a wide range of physics problems including impurity transport, electron temperature profiles, and non-thermal effects. The detector has been installed on the Madison Symmetric Torus (MST) as part of a collaboration between Princeton Plasma Physics Laboratory and the University of Wisconsin–Madison to develop the technology and analysis techniques. A full diagnostic forward model of the ME-SXR diagnostic has been developed to enable analysis of the raw photon count data. This model incorporates the atomic physics underlying the plasma emission, diagnostic geometry, and detector response characteristics. Employing this model, a Bayesian analysis approach is used to extract electron temperature from the raw data. This analysis approach uses all available information, clearly quantifies prior information, and handles uncertainties transparently. The ME-SXR camera is being used to study the 3D (helical, stellarator-like) state that forms in the MST device. This helical core structure has improved energy confinement. The transition to the helical state is accompanied by a rise in electron temperature in the central part of the helical structure, but then this enhancement fluctuates. The characteristics of this fluctuation are being compared to a magneto-hydrodynamics model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1982

Studies of clusters in the gas phase and application to an understanding of transitions from gaseous to the surface and condensed state

Studies of the structure, stability, electronic properties, and formation kinetics of small clusters were reviewed which provide information useful in furthering understanding of nucleation processes, liquid state properties, and the nature of surfaces. Using mass spectrometric coupled with various high pressure ion clustering and Stark effect-molecular beam techniques, the details of the primary clustering steps leading to the nucleation of bulk liquid from the vapor were and obtained by direct observation results are presented.

Castleman, A. W., Jr.↗
NASA NTRS1983

First detection of the ground-state J(K) = 1(0)-0(0) submillimeter transition of interstellar ammonia

The JK = 1 sub 0 approaching 0 sub 0 transition of ammonia at 572.5 GHz was detected in OMC-1 from NASA's Kuiper Airborne Observatory. The central velocity of the line (VLSR approximately = 9 km/s) indicates that it originates in the molecular cloud material, not the hot core. The derived filling factor of approximately 0.09 in a 2' beam implies a source diameter of approximately 35' if it is a single clump. This clump area is much larger than that derived from observations of the sub 1 inversion transition. The larger optical depth in the 1 sub 0 approaching 0 sub 0 transition (75-350) can account for the increased source area and linewidth as compared with those seen in the 1 sub 0 inversion transition. Previously announced in STAR as N83-25630

Keene, J.↗
DOE OSTI2021

Second Linear Response Theory and the Analytic Calculation of Excited-State Properties

We present a method based on second linear response time-dependent density func- tional theory (TDDFT) to calculate permanent and transition multipoles of excited states, which are required to compute excited-state absorption/emission spectra, multi- photon optical processes, among others. In previous work, we examined computations based on second linear response theory in which linear response TDDFT was employed twice. In contrast, the present methodology only requires information from a single linear response calculation to compute the excited-state properties. These are eval- uated analytically through various algebraic operations involving electron repulsion integrals and excitation vectors. The present derivation focuses on full many-body wave functions instead of single orbitals, as in our previous approach. Here, we test the proposed method by applying it to several diatomic and triatomic molecules. This shows that the computed excited-state dipoles are consistent with respect to reference equation-of-motion coupled cluster calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗