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At least 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Differential Ligation Alters Electronic State and Coupling Signals of Iron-Sulfur Clusters in Flavin-Based Electron Bifurcation

Flavin-based electron bifurcation (FBEB) is employed by microorganisms for controlling pools of redox equivalents by reversibly splitting electron pairs into high- and low-energy levels from an initial midpoint potential. Our ability to harness this phenomenon is crucial for biocatalytic design which is limited by our understanding of energy coupling in the bifurcation system. In Pyrococcus furiosus, FBEB is carried out by the NADH-dependent ferredoxin:NADP+-oxidoreductase (NfnSL), coupling the uphill reduction of ferredoxin in NfnL to the downhill reduction of NAD+ in NfnS from oxidation of NADPH. Flanking the bifurcating flavin are two site-differentiated iron-sulfur clusters; the nearest is a glutamate-ligated [4Fe-4S] cluster in NfnL. Recent biochemical experiments substituting the native glutamate with cysteine led to loss of coupling between the uphill and downhill pathways, in contrast to the tight thermodynamic coupling in the native system. To understand how this decoupling is biochemically manifested by the cysteine-substituted [4Fe-4S] in NfnL, we employed electron paramagnetic resonance (EPR) spectroscopy to identify changes in electronic architecture and square wave voltammetry (SWV) to probe thermodynamic shifts produced by the substitution. We observed notable g-value shifts in the EPR for the cysteine-substituted iron-sulfur cluster in addition to significant downward shifts in the redox potential, as well as the disappearance of several low-field signals observed in the native NfnSL complex. These results suggest the site-differentiated glutamate residue facilitates higher spin states in the [4Fesingle bond4S] cluster to bridge energetic gaps in electron transfer to the bifurcating flavin in the native complex, preventing unwanted short-circuiting seen in the cysteine-substituted complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Growth of accretion driven scalar hair around Kerr black holes

We report that Scalar fields around compact objects are of interest for scalar-tensor theories of gravity and dark matter models consisting of a massive scalar, e.g., axions. We study the behavior of a scalar field around a Kerr black hole with nontrivial asymptotic boundary conditions - both nonzero density and nonzero angular momentum. Starting from an initial radially homogeneous configuration, a scalar cloud is accreted, which asymptotes to known stationary configurations over time. We study the cloud growth for different parameters including black hole spin, scalar field mass, and the scalar field density and angular momentum far from the black hole. We characterize the transient growth of the mass and angular momentum in the cloud, and the spatial profile of the scalar around the black hole, and relate the results of fully nonlinear simulations to an analytic perturbative expansion. We also highlight the potential for these accreted clouds to create monochromatic gravitational wave signals - similar to the signals from superradiant clouds, although significantly weaker in amplitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Modulation of intensity emerging from zero effort (MIEZE) with extended Fourier time at large scattering angle

Modulation of Intensity Emerging from Zero Effort (MIEZE) is a neutron resonant spin echo technique that allows one to measure time correlation scattering functions in materials by implementing radio-frequency (RF) intensity modulation at the sample and the detector. The technique avoids neutron spin manipulation between the sample and the detector and, thus, could find applications in cases where the sample depolarizes the neutron beam. However, the finite sample size creates a variance in the path length between the locations where scattering and detection happen, which limits the contrast in intensity modulation that one can detect, in particular, toward long correlation times or large scattering angles. We propose a modification to the MIEZE setup that will enable one to extend those detection limits to longer times and larger angles. Furthermore, we use Monte Carlo simulations of a neutron scattering beamline to show that by tilting the RF flippers in the primary spectrometer with respect to the beam direction, one can shape the wave front of the intensity modulation at the sample to compensate for the path variance from the sample and the detector. The simulation results indicate that this change enables one to operate a MIEZE instrument at much increased RF frequencies, thus improving the effective energy resolution of the technique. For the MIEZE instrument simulated, it shows that for an incident beam with the maximum divergence of 0.33°, the maximum Fourier time can be increased by a factor of 3.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Power-Law Entanglement and Hilbert Space Fragmentation in Nonreciprocal Quantum Circuits

Quantum circuits utilizing measurement to evolve a quantum wave function offer a new and rich playground to engineer unconventional entanglement dynamics. Here, in this work, we introduce a hybrid, nonreciprocal setup featuring a quantum circuit, whose updates are conditioned on the state of a classical dynamical agent. In our example the circuit is represented by a Majorana quantum chain controlled by a classical N-state Potts chain undergoing pair flips. The local orientation of the classical spins controls whether randomly drawn local measurements on the quantum chain are allowed or not. This imposes a dynamical kinetic constraint on the entanglement growth, described by the transfer matrix of an N-colored loop model. It yields an equivalent description of the circuit by an SU(N)-symmetric Temperley-Lieb Hamiltonian or by a kinetically constrained surface growth model for an N-component height field. For N = 2, we find a diffusive growth of the half-chain entanglement toward a stationary profile S(L) ~ L 1/2 for L sites. For N ≥ 3, the kinetic constraints impose Hilbert space fragmentation, yielding subdiffusive growth toward S(L) ~ L 0.57 . This showcases how the control by a classical dynamical agent can enrich the entanglement dynamics in quantum circuits, paving a route toward novel entanglement dynamics in nonreciprocal hybrid circuit architectures.

1-dimensional spin chains↗
NASA NTRS1994

Hydrodynamic instability and coalescence of binary neutron stars

We study the importance of hydrodynamic effects on the evolution of coalescing binary neutron stars. Using an approximate energy functional constructed from equilibrium solutions for polytropic binary configuration, we incorporate hydrodynamic effects into the calculation of the orbital decay driven by gravitational wave emission. In particular, we follow the transition between the quasi-static, secular decay of the orbit at large separation and the rapid dynamical evolution of confirgurations approaching contact. We show that a purely Newtonian hydrodynamic instability can significantly accelerate the coalescence at small separation. Such an instability occurs in all close binary configurations containing sufficiently incompressible stars. Calculations are performed for various neutron star masses, radii, and spins. The influence of the stiffness of the equation of state is also explored by varying the effective polytopic index. Typically, we find that the radial infall velocity just prior to contact is about 10% of the tangential orbital velocity. Once the stability limit is reached, the final evolution only takes another orbit. Post-Newtonian effects can move the stability limit to a larger binary separation, and may induce an even larger radial velocity. We also consider the possibiltiy of mass transfer form one neutron star to the other. We show that stable mass transfer is unlikely except when the mass of one of the components is very small (M is less than or approximately 0.4 solar mass) and the viscosity is high enough to maintain corotation. Otherwise, either the two stars come into contact or the dynamical instability sets in before a Roche limit can be reached.

Lai, Dong↗
DOE OSTI2020

Attosecond XUV probing of vibronic quantum superpositions in Br 2 +

Ultrafast laser excitation can create coherent superpositions of electronic states in molecules and trigger ultrafast flow of electron density on a few femtosecond timescale. While recent attosecond experiments have addressed real-time observation of these primary photochemical processes, the underlying roles of simultaneous nuclear motions and how they modify and disturb the valence electronic motion remain uncertain. In this work, we investigate coherent electronic-vibrational dynamics induced among multiple vibronic levels of ionic bromine (Br 2 + ), including both spin-orbit (X 2 Π 3/2,g – X 2 Π 1/2,g ) and valence (A 2 Π 3/2,u – 4 Σ 3/2,u ) electronic superpositions, using attosecond transient absorption spectroscopy. Decay, revival, and apparent frequency shifts of electronic coherences are measured via characteristic quantum beats on the Br-3d core-level absorption signals. Quantum-mechanical simulations attribute the observed electronic decoherence to broadened phase distributions of nuclear wave packets on anharmonic potentials. Molecular vibronic structure is further revealed to be imprinted as discrete progressions in electronic beat frequencies. These results provide a future basis to interpret complex charge-migration dynamics in polyatomic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Photoinduced anomalous Hall effect in two-dimensional transition metal dichalcogenides

A circularly polarized ac pump field illuminated near resonance on two-dimensional transition metal dichalcogenides (TMDs) produces an anomalous Hall effect in response to a dc bias field. In this work, we develop a theory for this photoinduced anomalous Hall effect in undoped TMDs irradiated by a strong coherent laser field. The strong field renormalizes the equilibrium bands and opens up a dynamical energy gap where single-photon resonance occurs. The resulting photon dressed states, or Floquet states, are treated within the rotating-wave approximation. A quantum kinetic equation approach is developed to study the nonequilibrium density matrix and time-averaged transport currents under the simultaneous influence of the strong ac pump field and the weak dc probe field. Dissipative effects are taken into account in the kinetic equation that captures relaxation and dephasing. The photoinduced longitudinal and Hall conductivities display notable resonant signatures when the pump field frequency reaches the spin-split interband transition energies. Rather than valley polarization, we find that the anomalous Hall current is mainly driven by the intraband response of photon-dressed electron populations near the dynamical gap at both valleys, accompanied by a smaller contribution due to the interband response. In conclusion, these findings highlight the importance of photon-dressed bands and nonequilibrium distribution functions in achieving a proper understanding of the photoinduced anomalous Hall effect in a strong pump field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1986

Magnetic configurations of planetary obstacles

The interaction between planetary magnetospheres and solar wind flow is discussed. A proper planetary magnetosphere results from the interaction of a flowing plasma with a planet having an intrinsic, global, magnetic field of sufficient strength to stand off the impinging plasma. Upstream of such an obstacle a bow shock usually exists. The known magnetospheres have severely asymmetric shapes, being elongated approximately along the solar wind flow direction. Conditions which fundamentally determine the structure of a proper planetary magnetosphere are the state of the externally flowing plasma, the planet's magnetic moment, its vector spin, and the presence and nature of internal plasma sources and any plasma sinks. Planets known to have proper magnetospheres are Earth, Mercury, Jupiter, and Saturn. Uranus and Neptune may also have magnetospheres, with that of Uranus promising to have an exotic field configuration, because the planet's magnetic moment is expected to be nearly aligned with the solar wind flow direction. Venus and Mars are also discussed. Magnetopause surface waves are mentioned.

Lepping, R. P.↗
NASA NTRS1990

Search for lightning-induced electron precipitation with rocket-borne photometers

Photometers at 3914 A and 5577 A and an optical imager were part of an experimental package launched on a sounding rocket in the 1987 Wave Induced Particle Precipitation campaign at Wallops Island, Virginia. The objective was to measure lightning-induced electron precipitation (LEP) by means of its optical signature. This was the first attempt to measure LEP using rocket-borne optical instrumentation. Launch criteria included nearby thunderstorm activity and ground-based observations of Trimpi events. Lightning flashes are clearly discernible in the data. The photometer data was also characterized by large spin and precession modulations in the photon count rate, consistent with elevated steady particle fluxes in the northern portion of the instrument field of view. No evidence of LEP was observed by the photometers or onboard particle detectors (Arnoldy and Kintner, 1989). Analysis of the data has made it possible to place an upper limit of 0.0008 ergs/sq cm per sec on any burst precipitation energy flux that may have occurred during the rocket flight in the regions explored by the photometers.

Massey, R. D.↗
DOE OSTI2023

Invariant-mass spectroscopy of 10 B, 11 C, 14 F, 16 F, and 18 Na

The invariant-mass method is used to study the structure of a number of light proton-rich isotopes utilizing fast beams. Reactions where the projectile picks up a proton have been used to study d-wave resonances in 14 F, 16 F, and 18 Na. While the 16 F and 18 Na results are consistent with previous studies, the 14 F results are not consistent with the only previous work. Here, we have tentatively identified the 4 + member of a rotational band in 10 B, which is the analog of well-known states with strong α-cluster structure in 10 Be and 10 C. Finally, spin and parities of newly observed states in 11 C which decay sequentially into three-body exit channels have been determined or restricted.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Quantum field theory, worldline theory, and spin magnitude change in orbital evolution

A previous paper [Z. Bern et al., Binary dynamics through the fifth power of spin at 𝑂⁡(𝐺 2 ), Phys. Rev. Lett. 130, 201402 (2023)] identified a puzzle stemming from the amplitudes-based approach to spinning bodies in general relativity: additional Wilson coefficients appear compared to current worldline approaches to conservative dynamics of generic astrophysical objects, including neutron stars. In this paper we clarify the nature of analogous Wilson coefficients in the simpler theory of electrodynamics. We analyze the original field-theory construction, identifying definite-spin states some of which have negative norms, and relating the additional Wilson coefficients in the classical theory to transitions between different quantum spin states. We produce a new version of the theory which also has additional Wilson coefficients, but no negative-norm states. We match, through 𝒪⁡(𝛼 2 ) and 𝒪⁡(𝑆 2 ), the Compton amplitudes of these field theories with those of a modified worldline theory with extra degrees of freedom introduced by releasing the spin supplementary condition. We build an effective two-body Hamiltonian that matches the impulse and spin kick of the modified field theory and of the worldline theory, displaying additional Wilson coefficients compared to standard worldline approaches. The results are then compactly expressed in terms of an eikonal formula. Our key conclusion is that, contrary to standard approaches, while the magnitude of the spin tensor is still conserved, the magnitude of the spin vector can change under conserved Hamiltonian dynamics and this change is governed by the additional Wilson coefficients. For specific values of Wilson coefficients the results are equivalent to those from a definite spin obeying the spin supplementary condition, but for generic values they are physically inequivalent. These results warrant detailed studies of the corresponding issues in general relativity.

classical black holes↗
DOE OSTI2021

Phonon-Assisted Intervalley Scattering Determines Ultrafast Exciton Dynamics in MoSe 2 Bilayers

While valleys (energy extrema) are present in all band structures of solids, their preeminent role in determining exciton resonances and dynamics in atomically thin transition metal dichalcogenides (TMDC) is unique. Using two-dimensional coherent electronic spectroscopy, we find that exciton decoherence occurs on a much faster timescale in MoSe 2 bilayers than that in the monolayers. We further identify two population relaxation channels in the bilayer, a coherent and an incoherent one. Our microscopic model reveals that phonon-emission processes facilitate scattering events from the K valley to other lower-energy Γ and Λ valleys in the bilayer. Our combined experimental and theoretical studies unequivocally establish different microscopic mechanisms that determine exciton quantum dynamics in TMDC monolayers and bilayers. Understanding exciton quantum dynamics provides critical guidance to the manipulation of spin-valley degrees of freedom in TMDC bilayers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Optimization of an electron injector for operating high-intensity polarized electron beam

In this work, the simulation and optimization of an electron injector that operates a high-intensity polarized electron beam are presented. The electron injector would provide a single-bunch electron beam at a repetition rate of 1 Hz with a bunch charge of 10 nC, kinetic energy of 400 MeV and an electron spin polarization of 85%. A direct current (DC) high-voltage photogun was employed to produce the 10 nC polarized electron beam with a kinetic energy of 350 keV, beam diameter of 1.44 cm (Gaussian distribution with σ of 0.36 cm) and full bunch length of 1.3 ns (Gaussian distribution with σ of 0.325 ns). The beam was compressed to 6 ps of RMS bunch length using one 114.24 MHz standing-wave sub-harmonic buncher, two 571.2 MHz standing-wave sub-harmonic bunchers and one 2.856 GHz traveling-wave buncher. The beam was accelerated finally to 400 MeV via eight 2.856 GHz traveling-wave Linacs. We performed the beam simulation, and the simulated results showed that the optimized RMS bunch length was 4.65 ps, RMS relative energy spread was 0.48% and normalized RMS transverse emittance was 30.13 mm · mrad at a beam energy of 400 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1981

The International Solar Polar Mission - United States and Europe plan for a new look at the sun

A three-dimensional polar orbit exploration of the sun and solar-related phenomena in the heliosphere through the International Solar Polar Mission (ISPM) is discussed. The characteristics of the out-of-the-ecliptic mission are mentioned and a detailed list of the scientific objectives is given: properties of the solar corona, the solar wind, the structure of the sun-wind interface, the heliospheric magnetic field, solar and non-solar cosmic rays, solar radio bursts and plasma waves, and the interstellar/interplanetary neutral gas and dust. Measurements of the Jovian magnetosphere during the Jupiter flyby phase and interplanetary physics investigations during the initial earth-Jupiter phase are pointed out as secondary objectives. The Nasa spacecraft with a sun-pointing despun platform on which the White Light Coronagraph/X-Ray and Extreme Ultraviolet Telescope (CXX), and the Mass Separating Ion Instrument are mounted, is detailed. The operational configuration of EASA, a spin stabilized spacecraft, is given and characteristics of special features such as the large paraboloidal high gain antenna, the radio-isotope thermoelectric generator, the radial boom and the central equipment compartment are described and shown in a diagram. The mission design and launch parameters block diagrams are given.

Purdy, W. I., Jr.↗
NASA NTRS1994

Analysis of DE-1 PWI electric field data

The measurement of low frequency electric field oscillations may be accomplished with the Plasma Wave Instrument (PWI) on DE 1. Oscillations at a frequency around 1 Hz are below the range of the conventional plasma wave receivers, but they can be detected by using a special processing of the quasi-static electric field data. With this processing it is also possible to determine if the electric field oscillations are predominately parallel or perpendicular to the ambient magnetic field. The quasi-static electric field in the DE 1 spin/orbit plane is measured with a long-wire 'double probe'. This antenna is perpendicular to the satellite spin axis, which in turn is approximately perpendicular to the geomagnetic field in the polar magnetosphere. The electric field data are digitally sampled at a frequency of 16 Hz. The measured electric field signal, which has had phase reversals introduced by the rotating antenna, is multiplied by the sine of the rotation angle between the antenna and the magnetic field. This is called the 'perpendicular' signal. The measured time series is also multiplied with the cosine of the angle to produce a separate 'parallel' signal. These two separate time series are then processed to determine the frequency power spectrum.

Weimer, Daniel↗
NASA NTRS1996

The Submillimeter Wave Spectrum of Isotopic Methyl Cyanide

The laboratory submillimeter wave rotational spectrum of the 13CH3CN, CH3C13CN, and CH3C15N isotopomers of methyl cyanide has been observed in natural abundance in the 294 to 607 GHz region. The maximum J and K values are 34 and 14, respectively. Fifteen additional CH3CN transitions up to K = 21 were also measured. The transitions of all four species are fitted to a symmetric top Hamiltonian, and the rotation and distortion constants are determined. The 14N quadrupole and spin rotation coupling constants are also calculated and presented. Suggested values for many other parameters, which could not be directly determined from the isotope spectra, are calculated from the normal species values and isotope relationships. The determined and calculated constants should predict the spectrum of the three isotopomers to well over 1 THz accurately enough for astronomical assignments.

Pearson, J. C.↗
NASA NTRS1979

Pulsar magnetospheres

The structure of both the interior and exterior pulsar magnetosphere depends upon the strength of its plasma source near the surface of the star. We review magnetospheric models in the light of a vacuum pair-production source model proposed by Sturrock, and Ruderman and Sutherland. This model predicts the existence of a cutoff, determined by the neutron star's spin rate and magnetic field strength, beyond which coherent radio emission is no longer possible. The observed distribution of pulsar spin periods and period derivatives, and the distribution of pulsars with missing radio pulses, is quantitatively consistent with the pair production threshold, when its variation of neutron star radius and moment of inertia with mass is taken into account. All neutron stars observed as pulsars can have relativistic magnetohydrodynamic wind exterior magnetospheres. The properties of the wind can be directly related to those of the pair production source. Radio pulsars cannot have relativistic plasma wave exterior magnetospheres. On the other hand, most erstwhile pulsars in the galaxy are probably halo objects that emit weak fluxes of energetic photons that can have relativistic wave exterior magnetospheres. Extinct pulsars have not been yet observed.

Kennel, C. F.↗
DOE OSTI2020

First-principles calculation of spin and orbital contributions to magnetically ordered moments in Sr 2 IrO 4

Here, we show how an accurate first-principles treatment of the canted-anti-ferromagnetic ground state of Sr 2 IrO 4 , a prototypical 5d correlated spin-orbit coupled material, can be obtained without invoking any free parameters, such as the Hubbard $\textit{U}$ or tuning the spin-orbit coupling strength. Our theoretically predicted iridium magnetic moment of 0.250$μ_B$, canted by 12.6° off the $\textit{a}$ axis, is in accord with experimental results. By resolving the magnetic moments into their spin and orbital components, we show that our theoretically obtained variation of the magnetic scattering amplitude $\langle M_m \rangle$ as a function of the polarization angle is consistent with recent nonresonant magnetic x-ray scattering measurements. The computed value of the band gap (55 meV) is also in line with the corresponding experimental values. A comparison of the band structure to that of the cuprates suggests the presence of incommensurate charge-density wave phases in Sr 2 IrO 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗