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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

90° Rotation of orbital stripes in bilayer manganite PrCa{sub 2}Mn{sub 2}O{sub 7} studied by in situ transmission electron microscopy

We present an in situ transmission electron microscopy study on the half-doped bilayer manganite PrCa{sub 2}Mn{sub 2}O{sub 7} to reveal the rotation process of the orbital stripes. Between the reported initial and final ordering phases, we identified an intermediate state with two sets of satellite spots to bridge the 90° rotation of the orbital stripes. Furthermore, we determined that the rotation of the orbital stripes does not always occur. Some restricted conditions for the orbital rotation to occur were found and reasons are discussed. - Graphical abstract: The intermediate state of the thermally induced 90° rotation of orbital stripes between two charge/orbital ordering CO1 and CO2 phase in the bilayer manganite PrCa{sub 2}Mn{sub 2}O{sub 7} is revealed by in situ TEM. A new state with two sets of satellite spots in the [001] electron diffraction patterns is found to bridge this transition. The reasons to this transition are explained. Highlights: ► Intermediate states to bridge the 90° rotation of the orbital stripes in bilayer manganite PrCa{sub 2}Mn{sub 2}O{sub 7} were identified. ► Some restricted conditions for the orbital rotation to occur were found and reasons were discussed. ► The reported CO2 phase at high temperatures in PrCa{sub 2}Mn{sub 2}O{sub 7} can also exist at room temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

ENERGY-DEPENDENT POWER SPECTRAL STATES AND ORIGIN OF APERIODIC VARIABILITY IN BLACK HOLE BINARIES

We found that the black hole candidate MAXI J1659-152 showed distinct power spectra, i.e., power-law noise (PLN) versus band-limited noise (BLN) plus quasi-periodic oscillations (QPOs) below and above about 2 keV, respectively, in observations with Swift and the Rossi X-ray Timing Explorer during the 2010 outburst, indicating a high energy cutoff of the PLN and a low energy cutoff of the BLN and QPOs around 2 keV. The emergence of the PLN and the fading of the BLN and QPOs initially took place below 2 keV when the source entered the hard intermediate state and settled in the soft state three weeks later. The evolution was accompanied by the emergence of the disk spectral component and decreases in the amplitudes of variability in the soft and hard X-ray bands. Our results indicate that the PLN is associated with an optically thick disk in both hard and intermediate states, and the power spectral state is independent of the X-ray energy spectral state in a broadband view. We suggest that in the hard or intermediate state, the BLN and QPOs emerge from the innermost hot flow subjected to Comptonization, while the PLN originates from the optically thick disk farther out. The energy cutoffs of the PLN and the BLN or QPOs then follow the temperature of the seed photons from the inner edge of the optically thick disk, while the high frequency cutoff of the PLN follows the orbital frequency of the inner edge of the optically thick disk as well.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1979

Z1/3/ contribution to the energy loss of heavy charged particles

The Z1(3) contribution of distant collisions to the average energy loss of heavy charged particles is obtained by extending Bethe's quantum-mechanical calculation to the next highest order in Z1. The second-order Born approximation for the inelastic-collision cross section is simplified by using two major approximations. The infinite summation over terms arising from the coupling to intermediate states of the target atom is approximated with the aid of a parameter and the closure relation. This parameter is proportional to the average excitation energy of the intermediate states as described in the literature. The atomic form factors are simplified through a dipole expansion. Results are obtained in terms of an average excitation energy of the medium. Exemplary results for stopping in Al are presented for estimated values of the average excitation energy of the intermediate states. These results approach the classical and experimental values as the velocity of the penetrating particle increases, agreeing within 20% at beta = 0.3.

Morgan, S. H., Jr.↗
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 OSTI2010

Cavity quantum electrodynamics with a Rydberg-blocked atomic ensemble

The realization of a Jaynes-Cummings model in the optical domain is proposed for an atomic ensemble. The scheme exploits the collective coupling of the atoms to a quantized cavity mode and the nonlinearity introduced by coupling to high-lying Rydberg states. A two-photon transition resonantly couples the single-atom ground state |g> to a Rydberg state |e> via a nonresonant intermediate state |i>, but due to the interaction between Rydberg atoms only a single atom can be resonantly excited in the ensemble. This restricts the state space of the ensemble to the collective ground state |G> and the collectively excited state |E> with a single Rydberg excitation distributed evenly on all atoms. The collectively enhanced coupling of all atoms to the cavity field with coherent coupling strengths which are much larger than the decay rates in the system leads to the strong coupling regime of the resulting effective Jaynes-Cummings model. We use numerical simulations to show that the cavity transmission can be used to reveal detailed properties of the Jaynes-Cummings ladder of excited states and that the atomic nonlinearity gives rise to highly nontrivial photon emission from the cavity. Finally, we suggest that the absence of interactions between remote Rydberg atoms may, due to a combinatorial effect, induce a cavity-assisted excitation blockade whose range is larger than the typical Rydberg dipole-dipole interaction length.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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 OSTI2012

Effective shell-model hamiltonians from realistic nucleon-nucleon potentials within a perturbative approach

This paper discusses the derivation of an effective shell-model hamiltonian starting from a realistic nucleon-nucleon potential by way of perturbation theory. More precisely, we present the state of the art of this approach when the starting point is the perturbative expansion of the Q{sup -hat-}box vertex function. Questions arising from diagrammatics, intermediate-states and order-by-order convergences, and their dependence on the chosen nucleon-nucleon potential, are discussed in detail, and the results of numerical applications for the p-shell model space starting from chiral next-to-next-to-next-to-leading order potentials are shown. Moreover, an alternative graphical method to derive the effective hamiltonian, based on the Z{sup -hat-}box vertex function recently introduced by Suzuki et al., is applied to the case of a non-degenerate (0+2)h{omega} model space. Finally, our shell-model results are compared with the exact ones obtained from no-core shell-model calculations. - Highlights: Black-Right-Pointing-Pointer The derivation of nuclear realistic shell-model effective hamiltonians is studied. Black-Right-Pointing-Pointer Perturbation theory. Black-Right-Pointing-Pointer Diagrammatics, intermediate-states and order-by-order convergences are investigated. Black-Right-Pointing-Pointer Shell-model calculations in degenerate and non-degenerate model spaces are presented. Black-Right-Pointing-Pointer Shell-model results are compared with the exact ones.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
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↗
DOE OSTI2010

ON THE NATURE OF THE COMPACT OBJECT IN SS 433: OBSERVATIONAL EVIDENCE OF X-RAY PHOTON INDEX SATURATION

We present an analysis of the X-ray spectral properties observed from the black hole candidate (BHC) binary SS 433. We have analyzed Rossi X-ray Timing Explorer data from this source, coordinated with Green Bank Interferometer/RATAN-600. We show that SS 433 undergoes an X-ray spectral transition from the low hard state to the intermediate state (IS). We show that the X-ray broadband energy spectra during all spectral states are well fitted by a sum of the so-called bulk motion Comptonization (BMC) component and by two (broad and narrow) Gaussians for the continuum and line emissions, respectively. In addition to these spectral model components, we also find a strong feature that we identify as a 'blackbody-like (BB)' component in which the color temperature is in the range of 4-5 keV in 24 IS spectra during the radio outburst decay in SS 433. Our observational results on the 'high-temperature BB' bump lead us to suggest the presence of gravitationally redshifted annihilation line emission in this source. In fact, this spectral feature has been recently reproduced in Monte Carlo simulations by Laurent and Titarchuk. We have also established the photon index saturation at about 2.3 in index versus mass accretion correlation. This index-mass accretion correlation allows us to evaluate the low limit of the black hole (BH) mass of the compact object in SS 433, M{sub bh{approx}}>2 solar masses, using the scaling method using BHC GX 339 - 4 as a reference source. Our estimate of the BH mass in SS 433 is consistent with the recent BH mass measurement using the radial velocity measurements of the binary system by Hillwig and Gies, who find that M{sub x} = (4.3 {+-} 0.8) solar masses. This is the smallest BH mass found up to now among all BH sources. Moreover, the index saturation effect versus mass accretion rate revealed in SS 433, as in a number of other BH candidates, is strong observational evidence for the presence of a BH in SS 433.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

IMPLICATION OF THE OBSERVED SPECTRAL CUTOFF ENERGY EVOLUTION IN XTE J1550-564

The physical mechanisms responsible for the production of non-thermal emission in accreting black holes (BHs) should be imprinted in the observational appearances of the power-law tails in the X-ray spectra from these objects. Phenomenology of different spectral states exhibited by galactic BH binaries allows us to establish the physics of the photon upscattering under different accretion regimes. We revisit the data collected by the Rossi X-ray Timing Explorer from the BH X-ray binary XTE J1550-564 during two periods of X-ray activity in 1998 and 2000 focusing on the behavior of the high-energy cutoff of the power-law part of the spectrum. For the 1998 outburst, the transition from the low-hard state to the intermediate state was accompanied by a gradual decrease in the cutoff energy. This was followed by an extended minimum which then showed an abrupt reversal to a clear increasing trend as the source evolved to the very high and high-soft states. The 2000 outburst showed only the decreasing and extended minimum portions of this pattern. We attribute this difference in the cutoff energy behavior to the different partial contributions of the thermal and non-thermal (bulk motion) Comptonization. Namely, during the 1998 event the higher accretion rate presumably provided more cooling to the Comptonizing media and thus reducing the effectiveness of the thermal upscattering process. Under these conditions, the bulk motion takes a leading role in boosting the input soft photons. Recent Monte Carlo simulations by Laurent and Titarchuk strongly support this scenario.

79 ASTRONOMY AND ASTROPHYSICS↗