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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Preliminary results of measurements of hadronic cross sections with the CMD-3 detector at the VEPP-2000 electron–positron collider

Experiments with the CMD-3 detector at the VEPP-2000 electron–positron collider in the range of center of mass collision energies from 0.32 to 2 GeV have been performed since December 2010. The amount of accumulated data corresponds to an integrated luminosity of about 60 pb{sup -1}. The resultsof a preliminary analysis are presented for the following annihilation channels: e{sup +}e{sup -} → 3(π{sup +}π{sup -}), 2(π{sup +}π{sup -}π{sup 0}), K{sup +}K{sup -}π{sup +}π{sup -}, K{sup +}K{sup -}, pp̄, and π{sup +}π{sup -}. Since processes of electron–positron annihilation that involve the production of multihadron states proceed through several intermediate states, their analysis is necessary for the correct description of the emission-angle and invariant-mass distributions of product particles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D

Localized dynamics of RAS, including regions distal to the nucleotide-binding site, is of high interest for elucidating the mechanisms by which RAS proteins interact with effectors and regulators and for designing inhibitors. Among several oncogenic mutants, methyl relaxation dispersion experiments reveal highly synchronized conformational dynamics in the active (GMPPNP-bound) KRAS G13D , which suggests an exchange between two conformational states in solution. Methyl and 31 P NMR spectra of active KRAS G13D in solution confirm a two-state ensemble interconverting on the millisecond timescale, with a major Pγ atom peak corresponding to the dominant State 1 conformation and a secondary peak indicating an intermediate state different from the known State 2 conformation recognized by RAS effectors. High-resolution crystal structures of active KRAS G13D and KRAS G13D -RAF1 RBD complex provide snapshots of the State 1 and 2 conformations, respectively. We use residual dipolar couplings to solve and cross-validate the structure of the intermediate state of active KRAS G13D , showing a conformation distinct from those of States 1 and 2 outside the known flexible switch regions. The dynamic coupling between the conformational exchange in the effector lobe and the breathing motion in the allosteric lobe is further validated by a secondary mutation in the allosteric lobe, which affects the conformational population equilibrium.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Structure Function Studies of Photosystem II Using X-Ray Free Electron Lasers

The structure and mechanism of the water-oxidation chemistry that occurs in photosystem II have been subjects of great interest. The advent of X-ray free electron lasers allowed the determination of structures of the stable intermediate states and of steps in the transitions between these intermediate states, bringing a new perspective to this field. The room-temperature structures collected as the photosynthetic water oxidation reaction proceeds in real time have provided important novel insights into the structural changes and the mechanism of the water oxidation reaction. The time-resolved measurements have also given us a view of how this reaction—which involves multielectron, multiproton processes—is facilitated by the interaction of the ligands and the protein residues in the oxygen-evolving complex. These structures have also provided a picture of the dynamics occurring in the channels within photosystem II that are involved in the transport of the substrate water to the catalytic center and protons to the bulk.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Evidence of Intermediate Hydrogen States in the Formation of a Complex Hydride

A complex hydride (LaMg 2 NiH 7 ) composed of La 3+ , two Mg 2+ , [NiH 4 ] 4– with a covalently bonded hydrogen, and three H – was formed from an intermetallic LaMg 2 Ni via an intermediate phase (LaMg 2 NiH 4.6 ) composed of La, Mg, NiH 2 , NiH 3 units, and H atoms at tetrahedral sites. The NiH 2 and NiH 3 units in LaMg 2 NiH 4.6 were reported as precursors for [NiH 4 ] 4– in LaMg 2 NiH 7 [Miwa et al. J. Phys. Chem. C 2016, 120, 5926–5931]. To further understand the hydrogen states in the precursors (the NiH 2 and NiH 3 units) and H atoms at the tetrahedral sites in the intermediate phase, LaMg 2 NiH 4.6 , we observed the hydrogen vibrations in LaMg 2 NiH 4.6 and LaMg 2 NiH 7 by using inelastic neutron scattering. A comparison of the hydrogen vibrations of the NiH 2 and NiH 3 units with that of [NiH 4 ] 4– shows that the librational modes of the NiH 2 and NiH 3 units were nonexistent; librational modes are characteristic modes for complex anions, such as [NiH 4 ] 4– . Furthermore, the hydrogen vibrations for the H atoms in the tetrahedral sites showed a narrower wavenumber range than that for H – and a wider range than that for typical interstitial hydrogen. The results indicated the presence of intermediate hydrogen states before the formation of [NiH 4 ] 4– and H – .

36 MATERIALS SCIENCE↗
DOE OSTI2024

Chemically tuned intermediate band states in atomically thin Cu x GeSe/SnS quantum material for photovoltaic applications

A new generation of quantum material derived from intercalating zerovalent atoms such as Cu into the intrinsic van der Waals gap at the interface of atomically thin two-dimensional GeSe/SnS heterostructure is designed, and their optoelectronic features are explored for next-generation photovoltaic applications. Advanced ab initio modeling reveals that many-body effects induce intermediate band (IB) states, with subband gaps (~0.78 and 1.26 electron volts) ideal for next-generation solar devices, which promise efficiency greater than the Shockley-Queisser limit of ~32%. The charge carriers across the heterojunction are both energetically and spontaneously spatially confined, reducing nonradiative recombination and boosting quantum efficiency. Using this IB material in a solar cell prototype enhances absorption and carrier generation in the near-infrared to visible light range. Tuning the active layer’s thickness increases optical activity at wavelengths greater than 600 nm, achieving ~190% external quantum efficiency over a broad solar wavelength range, underscoring its potential in advanced photovoltaic technology.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Final state interaction effects in B{sup 0} → J/ψπ{sup 0} decay

In this research the exclusive decay of B{sup 0} → J/ψπ{sup 0} is calculated by QCD factorization (QCDF) method and final-state interaction (FSI). First, the B{sup 0} → J/ψπ{sup 0} decay is calculated via QCDF method. The result that is found by using the QCDF method is less than the experimental result. So FSI is considered to solve the B{sup 0} → J/ψπ{sup 0} decay. For this decay, the D{sup +}D{sup −}* and D{sup 0}<##> } } D }&#x00AF;<!-- ?? --> } 0 &#x2217;<!-- ??? --> $ /bar D^{0*} $ D-bar {sup 0∗} </##> via the exchange of D{sup −}, D{sup −}* and <##> } } D }&#x00AF;<!-- ?? --> 0 $ /bar D^0 $ D-bar {sup 0} </##>, <##> } } D }&#x00AF;<!-- ?? --> } 0 &#x2217;<!-- ??? --> $ /bar D^{0*} $ D-bar {sup 0∗} </##> mesons are chosen for the intermediate states. The above intermediate states are calculated by using the QCDF method. The experimental branching ratio of B{sup 0} → J/ψπ{sup 0} decay is (1.76 ± 0.16) × 10{sup −5} and our results calculated by QCDF and FSI are (0.56 ± 0.11) × 10{sup −5} and (1.3 ± 0.09) × 10{sup −5}, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Study of Υ(10753) decays to π+π−Υ(nS) final states at Belle II

Abstract We present an analysis of the processe + e − →π + π − Υ(nS) (wheren= 1, 2, or 3) reconstructed in 19.6 fb −1 of Belle II data during a special run of the SuperKEKB collider at four energy points near the peak of the Υ(10753) resonance. By analyzing the mass distribution of theπ + π − Υ(nS) system and the Born cross sections of thee + e − →π + π − Υ(nS) process, we report the first observation of Υ(10753) decays to theπ + π − Υ(1S) andπ + π − Υ(2S) final states, and find no evidence for decays toπ + π − Υ(3S). Possible intermediate states in theπ + π − Υ(1S,2S) transitions are also investigated, and no evidence for decays proceeding via the$$ {\pi}^{\mp }{Z}_b^{\pm } $$ π ∓ Z b ± orf 0 (980)Υ(nS) intermediate states is found. We measure Born cross sections for thee + e − →π + π − Υ(nS) process that, combined with results from Belle, obtain the mass and width of Υ(10753) to be (10756.6 ± 2.7 ± 0.9) MeV/c 2 and (29.0 ± 8.8 ± 1.2) MeV, respectively. The relative ratios of the Born cross sections at the Υ(10753) resonance peak are also reported for the first time.

Physics↗
DOE OSTI2018

Equilibrium Properties of the Mixed State in Superconducting Niobium in a Transverse Magnetic Field: Experiment and Theoretical Model

Equilibrium magnetic properties of the mixed state in type II superconductors were studied on high-purity film and single-crystal niobium samples with different Ginzburg-Landau parameters in perpendicular and parallel magnetic fields using dc magnetometry and scanning Hall-probe microscopy. The magnetization curve for samples with unity demagnetizing factor (slabs in perpendicular field) was obtained for the first time. It was found that none of the existing theories is consistent with these new data. To address this problem, a theoretical model is developed and comprehensively validated. The new model describes the mixed state in an averaged limit, i.e., without detailing the samples’ magnetic structure and therefore ignoring the surface current and interactions between the structural units (vortices). At low values of the Ginzburg-Landau parameter, it converts to the model of Peierls and London for the intermediate state in type I superconductors. The model quantitatively describes the magnetization curve for the perpendicular field and provides new insights into the properties of the mixed state, including properties of individual vortices. In particular, it suggests that description of the vortex matter in superconductors of the transverse geometry as a “gas-like” system of non-interacting vortices is more appropriate than the frequently used solid-like scenarios.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Definitive Management of Oligometastatic Melanoma in a Murine Model Using Combined Ablative Radiation Therapy and Viral Immunotherapy

Purpose: The oligometastatic state is an intermediate state between a malignancy that can be completely eradicated with conventional modalities and one in which a palliative approach is undertaken. Clinically, high rates of local tumor control are possible with stereotactic ablative radiation therapy (SABR), using precisely targeted, high-dose, low-fraction radiation therapy. However, in oligometastatic melanoma, virtually all patients develop progression systemically at sites not initially treated with ablative radiation therapy that cannot be managed with conventional chemotherapy and immunotherapy. We have demonstrated in mice that intravenous administration of vesicular stomatitis virus (VSV) expressing defined tumor-associated antigens (TAAs) generates systemic immune responses capable of clearing established tumors. Therefore, in the present preclinical study, we tested whether the combination of systemic VSV-mediated antigen delivery and SABR would be effective against oligometastatic disease. Methods and Materials: We generated a model of oligometastatic melanoma in C57BL/6 immunocompetent mice and then used a combination of SABR and systemically administered VSV-TAA viral immunotherapy to treat both local and systemic disease. Results: Our data showed that SABR generates excellent control or cure of local, clinically detectable, and accessible tumor through direct cell ablation. Also, the immunotherapeutic activity of systemically administered VSV-TAA generated T-cell responses that cleared subclinical metastatic tumors. We also showed that SABR induced weak T-cell-mediated tumor responses, which, particularly if boosted by VSV-TAA, might contribute to control of local and systemic disease. In addition, VSV-TAA therapy alone had significant effects on control of both local and metastatic tumors. Conclusions: We have shown in the present preliminary murine study using a single tumor model that this approach represents an effective, complementary combination therapy model that addresses the need for both systemic and local control in oligometastatic melanoma.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Time-resolved photoelectron imaging of complex resonances in molecular nitrogen

We have used the FERMI free-electron laser to perform time-resolved photoelectron imaging experiments on a complex group of resonances near 15.38 eV in the absorption spectrum of molecular nitrogen, N-2, under jet-cooled conditions. The new data complement and extend the earlier work of Fushitani et al. [Opt. Express 27, 19702-19711 (2019)], who recorded time-resolved photoelectron spectra for this same group of resonances. Time-dependent oscillations are observed in both the photoelectron yields and the photoelectron angular distributions, providing insight into the interactions among the resonant intermediate states. In addition, for most states, we observe an exponential decay of the photoelectron yield that depends on the ionic final state. This observation can be rationalized by the different lifetimes for the intermediate states contributing to a particular ionization channel. Finally, although there are nine resonances within the group, we show that by detecting individual photoelectron final states and their angular dependence, we can identify and differentiate quantum pathways within this complex system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

The Evolving Polarized Jet of Black Hole Candidate Swift J1745-26

Swift J1745−26 is an X-ray binary towards the Galactic Centre that was detected when it went into outburst in September 2012. This source is thought to be one of a growing number of sources that display "failed outbursts", in which the self-absorbed radio jets of the transient source are never fully quenched and the thermal emission from the geometrically-thin inner accretion disk never fully dominates the X-ray flux. We present multifrequency data from the Very Large Array, Australia Telescope Compact Array and Karoo Array Telescope (KAT- 7) radio arrays, spanning the entire period of the outburst. Our rich data set exposes radio emission that displays a high level of large scale variability compared to the X-ray emission and deviations from the standard radio-X-ray correlation that are indicative of an unstable jet and confirm the outburst's transition from the canonical hard state to an intermediate state. We also observe steepening of the spectral index and an increase of the linear polarization to a large fraction (is approx. equal to 50%) of the total flux, as well as a rotation of the electric vector position angle. These are consistent with a transformation from a self-absorbed compact jet to optically-thin ejecta - the first time such a discrete ejection has been observed in a failed outburst - and may imply a complex magnetic field geometry.

black↗
DOE OSTI2015

Reapproaching the spin estimate of GX 339-4

We systematically reanalyze two previous observations of the black hole (BH) GX 339-4 in the very high and intermediate state taken with XMM-Newton and Suzaku. We utilize up-to-date data reduction procedures and implement the recently developed, self-consistent model for X-ray reflection and relativistic ray tracing, relxill. In the very high and intermediate state, the rate of accretion is high and thus the disk remains close to the innermost stable circular orbit. We require a common spin parameter and inclination when fitting the two observations since these parameters should remain constant across all states. This allows for the most accurate determination of the spin parameter of this galactic BH binary from fitting the Fe Kα emission line and provides a chance to test previous estimates. We find GX 339-4 to be consistent with a near maximally spinning BH with a spin parameter a{sub ∗}>0.97 with an inclination of 36° ± 4°. This spin value is consistent with previous high estimates for this object. Further, if the inner disk is aligned with the binary inclination, this modest inclination returns a high BH mass, but they need not be aligned. Additionally, we explore how the spin is correlated with the power of the jet emitted but find no correlation between the two.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The Evolution of the Phase Lags Associated with the Type-C Quasi-periodic Oscillation in GX 339–4 during the 2006/2007 Outburst

We present the evolution of the phase lags associated with the type-C QPO in GX 339–4 during the rising phase of the 2006/2007 outburst. We find that the phase lags at the QPO frequency are always positive (hard) and show very different behavior between QPOs with frequencies below and above ∼1.7 Hz: when the QPO frequency is below ∼1.7 Hz, the phase lags increase both with QPO frequency and energy, while when the QPO frequency is above ∼1.7 Hz, the phase lags remain more or less constant. When the QPO frequency is higher than ∼1.7 Hz, a broad feature is always present in the lag–energy spectra at around 6.5 keV, suggesting that the reflection component may have a significant contribution to the phase lags. Below ∼1.7 Hz, the QPO rms first decreases with energy and then turns to almost flat, while above ∼1.7 Hz, the QPO rms increases with energy. During the transition from the low-hard state to the hard-intermediate state, the second harmonic and subharmonic of this QPO appear in the power density spectra. The second-harmonic and subharmonic phase lags show very similar evolutions for their centroid frequencies. However, the energy dependence of the second-harmonic and subharmonic phase lags are quite different. Our results suggest that, at different phases of the outburst, different mechanisms may be responsible for the phase lags of the QPO. We briefly discuss the possible scenarios for producing the lags.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Ab initio electron-two-phonon scattering in GaAs from next-to-leading order perturbation theory

Electron-phonon (e–ph) interactions are usually treated in the lowest order of perturbation theory. Here we derive next-to-leading order e–ph interactions, and compute from first principles the associated electron-two-phonon (2ph) scattering rates. The derivations involve Matsubara sums of two-loop Feynman diagrams, and the numerical calculations are challenging as they involve Brillouin zone integrals over two crystal momenta and depend critically on the intermediate state lifetimes. Using Monte Carlo integration together with a self-consistent update of the intermediate state lifetimes, we compute and converge the 2ph scattering rates, and analyze their energy and temperature dependence. We apply our method to GaAs, a weakly polar semiconductor with dominant optical-mode long-range e–ph interactions. We find that the 2ph scattering rates are as large as nearly half the value of the one-phonon rates, and that including the 2ph processes is necessary to accurately predict the electron mobility in GaAs from first principles.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An Electron-scattering Time Delay in Black Hole Accretion Disks

Abstract Universal to black hole X-ray binaries, the high-frequency soft lag gets longer during the hard-to-intermediate state transition, evolving from ≲1 to ∼10 ms. The soft lag production mechanism is thermal disk reprocessing of nonthermal coronal irradiation. X-ray reverberation models account for the light-travel time delay external to the disk, but assume instantaneous reprocessing of the irradiation inside the electron-scattering-dominated disk atmosphere. We model this neglected scattering time delay as a random walk within an α -disk atmosphere, with approximate opacities. To explain soft lag trends, we consider a limiting case of the scattering time delay that we dub the thermalization time delay, t th ; this is the time for irradiation to scatter its way down to the effective photosphere, where it gets thermalized, and then scatter its way back out. We demonstrate that t th plausibly evolves from being inconsequential for low mass accretion rates m ̇ characteristic of the hard state, to rivaling or exceeding the light-travel time delay for m ̇ characteristic of the intermediate state. However, our crude model confines t th to a narrow annulus near peak accretion power dissipation, so cannot yet explain in detail the anomalously long-duration soft lags associated with larger disk radii. We call for time-dependent models with accurate opacities to assess the potential relevance of a scattering delay.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

The TANAMI Multiwavelength Program: Dynamic spectral energy distributions of southern blazars

Simultaneous broadband spectral and temporal studies of blazars are an important tool for investigating active galactic nuclei (AGN) jet physics. Aims. Here, we study the spectral evolution between quiescent and flaring periods of 22 radio-loud AGN through multiepoch, quasi-simultaneous broadband spectra. For many of these sources these are the first broadband studies. We also use a Bayesian block analysis of Fermi/LAT light curves to determine time ranges of constant flux for constructing quasi-simultaneous spectral energy distributions (SEDs). The shapes of the resulting 81 SEDs are described by two logarithmic parabolas and a blackbody spectrum where needed. The peak frequencies and luminosities agree well with the blazar sequence for low states with higher luminosity implying lower peak frequencies. This is not true for sources in high states. The γ-ray photon index in Fermi/LAT correlates with the synchrotron peak frequency in low and intermediate states. No correlation is present in high states. The black hole mass cannot be determined from the SEDs. Surprisingly, the thermal excess often found in FSRQs at optical/UV wavelengths can be described by blackbody emission and not an accretion disk spectrum. The so-called harder-when-brighter trend, typically seen in X-ray spectra of flaring blazars, is visible in the blazar sequence. Furthermore, our results for low and intermediate states, as well as the Compton dominance, are in agreement with previous results. Black hole mass estimates using recently published parameters are in agreement with some of the more direct measurements. For two sources, estimates disagree by more than four orders of magnitude, possibly owing to boosting effects. The shapes of the thermal excess seen predominantly in flat spectrum radio quasars are inconsistent with a direct accretion disk origin.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Magnetic phase transitions and monopole excitations in spin ice under uniaxial pressure: A Monte Carlo simulation

In this work, we explore the spin ice model under uniaxial pressure using the Monte Carlo simulation method. For the known spin ices, the interaction correction (δ) introduced by the uniaxial pressure varies in quite a wide range from positive to negative. When δ is positive, the ground state characterized by the ferromagnetic spin chains is quite unstable, and in real materials it serves as intermediate state connecting the ice state and the long range ordered dipolar spin ice ground state. In the case of negative δ, the system relaxes from highly degenerate ice state to ordered ferromagnetic state via a first order phase transition. Furthermore, the domain walls in such ferromagnetic state are the hotbed of the excitations of magnetic monopoles, thus indicating that the uniaxial pressure can greatly increase the monopole density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗