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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Spin-State and Reorganization Energy Considerations for Metal-Centered Photoredox Catalysis

Transition-metal complexes featuring metal-centered excited states have recently emerged as mechanistically distinct platforms for selective photochemistry, including photoredox catalysis. Among these, Co(III) complexes have demonstrated productive photoinduced electron transfer via the 3 T 1 metal-centered state. In contrast, photoreactivity from the 5 T 2 metal-centered state in Fe(II) polypyridyl complexes remains limited. Building on our prior report concerning reactivity associated with the 5 T 2 state in [Fe(tren(py) 3 )] 2+ (tren(py) 3 = tris(2-pyridylmethyliminoethyl)-amine), we introduced stronger-field ligands in an effort to increase excited-state energies of Fe(II) polypyridyl complexes and enhance reactivity. Despite achieving nanosecond-scale excited-state lifetimes and favorable thermodynamic driving forces, no photoreactivity was observed. Reinvestigation of the observations previously reported for [Fe(tren(py) 3 )] 2+ revealed interactions between the metal complex and the substrate in their respective ground states that mimicked dynamic quenching of the chromophore, prompting a reassessment of mechanistic considerations inherent in leveraging reductive chemistry from the 5 T 2 excited state of Fe(II). Our analysis indicates that electron transfer from the 5 T 2 excited state of a low-spin d6 metal is subject to significant barriers both in terms of reorganization energies and spin conservation that undermines its ability to act as an electron donor for photoredox catalysis. In contrast, ligand fields that are sufficient to stabilize the 3 T 1 excited state have available to them numerous spin-allowed and, in certain cases, near-barrierless pathways to engage in excited-state electron transfer (both oxidative and reductive depending on the identity of the metal). These results highlight the critical role of spin-state changes and their associated reorganization energy requirements in metal-centered photoredox catalysis.

charge transfer↗
DOE OSTI2021

Measurement of the Generalized Spin Polarizabilities of the Neutron in the Low-Q{sup 2} Region

Understanding the nucleon spin structure in the regime where the strong interaction becomes truly strong poses a challenge to both experiment and theory. At energy scales below the nucleon mass of about 1 GeV, the intense interaction among the quarks and gluons inside the nucleon makes them highly correlated. Their coherent behaviour causes the emergence of effective degrees of freedom, requiring the application of non-perturbative techniques such as chiral effective field theory1. Here we present measurements of the neutron’s generalized spin polarizabilities that quantify the neutron’s spin precession under electromagnetic fields at very low energy-momentum transfer squared down to 0.035 GeV2. In this regime, chiral effective field theory calculations2–4 are expected to be applicable. Our data, however, show a strong discrepancy with these predictions, presenting a challenge to the current description of the neutron’s spin properties.

Sulkosky, Vincent↗
DOE OSTI2020

Proton form factor ratio μ p G E p / G M p from double spin asymmetry

We report the ratio of the electric and magnetic form factor of the proton, $\mu_p G_E^p/G_M^p$, has been measured for elastic electron-proton scattering with polarized beam and target up to four-momentum transfer squared, $Q^2=5.66$ (GeV/c)$^2$ using the double spin asymmetry for target spin orientation aligned nearly perpendicular to the beam momentum direction. This measurement of $\mu_p G_E^p/G_M^p$ agrees with the $Q^2$ dependence of previous recoil polarization data and reconfirms the discrepancy at high $Q^2$ between the Rosenbluth and the polarization-transfer method with a different measurement technique and systematic uncertainties uncorrelated to those of the recoil-polarization measurements. The form factor ratio at $Q^2$=2.06 (GeV/c)$^2$ has been measured as $\mu_p G_E^p/G_M^p = 0.720 \pm 0.176_{stat} \pm 0.039_{sys}$, which is in agreement with an earlier measurement with the polarized target technique at similar kinematics. The form factor ratio at $Q^2$=5.66 (GeV/c)$^2$ has been determined as $\mu_p G_E^p/G_M^p=0.244\pm0.353_{stat}\pm0.013_{sys}$, which represents the highest $Q^2$ reach with the double spin asymmetry with polarized target to date.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1993

Laser ranging application to time transfer using geodetic satellite and to other Japanese space programs

Communications Research Laboratory (CRL) has been developing a laser time transfer system using a satellite laser ranging (SLR) system. We propose Japanese geodetic satellite 'AJISAI', launched in 1986 as a target satellite. The surface is covered not only with corner cube reflectors but also with mirrors. The mirrors are originally designed for observation of flushing solar light reflected by the separate mirrors while the satellite is spinning. In the experiment, synchronized laser pulses are transferred via specified mirror from one station to another while the satellite is up on the horizon to both stations. The system is based on the epoch timing ranging system with 40 ps ranging precision, connected together with UTC(CRL). Simulation study indicates that two stations at thousands of km distance from each other can be linked with signal strength of more than 10 photons and the distributed images of laser beam from AJISAI mirrors give many chances for two stations to link each other during a single AJISAI pass. Retro-reflector In Space for Advanced Earth Observation Satellite (ADEOS) and RendDezVous docking mission of Experimental Technology Satellite-7 (ETS-7) are briefly presented.

Kunimori, Hiroo↗
NASA NTRS1995

Microgravity and Charge Transfer in the Neuronal Membrane: Implications for Computational Neurobiology

Evidence from natural and artificial membranes indicates that the neural membrane is a liquid crystal. A liquid-to-gel phase transition caused by the application of superposed electromagnetic fields to the outer membrane surface releases spin-correlated electron pairs which propagate through a charge transfer complex. The propagation generates Rydberg atoms in the lipid bilayer lattice. In the present model, charge density configurations in promoted orbitals interact as cellular automata and perform computations in Hilbert space. Due to the small binding energies of promoted orbitals, their automata are highly sensitive to microgravitational perturbations. It is proposed that spacetime is classical on the Rydberg scale, but formed of contiguous moving segments, each of which displays topological equivalence. This stochasticity is reflected in randomized Riemannian tensor values. Spacetime segments interact with charge automata as components of a computational process. At the termination of the algorithm, an orbital of high probability density is embedded in a more stabilized microscopic spacetime. This state permits the opening of an ion channel and the conversion of a quantum algorithm into a macroscopic frequency code.

Wallace, Ron↗
DOE OSTI2022

Application of wideband pulsed high-frequency EPR to molecular quantum spin science

This presentation provides an overview of a range of new applications in the area of molecular quantum spin science that are now possible at the US National High Magnetic Field Laboratory as a result of the development of a wideband, high-power 94 GHz pulsed EPR spectrometer. Here, this instrument allows true Fourier-transform detected experiments spanning a 1 GHz instantaneous bandwidth, akin to what has been possible in NMR for several decades. The presentation will begin by describing experiments on a nitroxide radical using chirped pulses, enabling acquisition of the full spectrum in a single sequence, thus providing a very efficient and convenient means to measure the field orientation dependence of the spin-lattice relaxation time, T 1 . This will be followed by a discussion of a coherent population transfer protocol involving the 2S + 1 = 8 Zeeman levels associated with the spin S = 7/2 Gd 3+ ion, potentially paving the way towards implementation of well-known quantum search algorithms. It will also be shown how the use of chirped pulses provides a route to achieving highly non-thermal spin populations, suggesting novel initialization schemes.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Engineered chirality of one-dimensional nanowires

The origin and function of chirality in DNA, proteins, and other building blocks of life represent a central question in biology. Observations of spin polarization and magnetization associated with electron transport through chiral molecules, known collectively as the chiral induced spin selectivity effect, suggest that chirality improves electron transfer. Using reconfigurable nanoscale control over conductivity at the LaAlO 3 /SrTiO 3 interface, we create chiral electron potentials that explicitly lack mirror symmetry. Quantum transport measurements on these chiral nanowires reveal enhanced electron pairing persisting to high magnetic fields (up to 18 tesla) and oscillatory transmission resonances as functions of both magnetic field and chemical potential. We interpret these resonances as arising from an engineered axial spin-orbit interaction within the chiral region. The ability to create one-dimensional electron waveguides with this specificity creates opportunities to test, via analog quantum simulation, theories about chirality and spin-polarized electron transport in one-dimensional geometries.

Science & Technology - Other Topics↗
DOE OSTI2025

Hyperfine-to-rotational energy transfer in ultracold atom–molecule collisions of Rb and KRb

Energy transfer between different mechanical degrees of freedom in atom–molecule collisions has been studied and largely understood. However, systems involving spins remain less explored. Here, in this study, we directly observed energy transfer from atomic hyperfine to molecular rotation in the 87 Rb ($| {F}_{a},{M}_{{F}_{a}}\rangle =| 2,2\rangle$) + 40 K 87 Rb (X 1 Σ + , rotational state N = 0) ⟶ Rb ($| 1,1\rangle$) + KRb ( N = 0, 1, 2) collision with state-to-state precision. We also performed quantum scattering calculations that rigorously included the coupling between spin and rotational degrees of freedom at short range under the assumption of rigid-rotor KRb monomers moving along a single potential energy surface. The calculated product rotational state distribution deviates from the observations even after extensive tuning of the atom–molecule potential energy surface. In addition, our ab initio calculations indicate that spin–rotation coupling is enhanced close to a conical intersection that is energetically accessible at short range. This, together with the deviation, suggests that vibrational degrees of freedom and conical intersections play an important part in the coupling. Our observations confirm that spin is coupled to mechanical rotation at short range and establish a benchmark for future theoretical studies.

chemical physics↗
NASA NTRS1992

Random-anisotropy Blume-Emery-Griffiths model

The results are described of studies of a random-anisotropy Blume-Emery-Griffiths spin-1 Ising model using mean-field theory, transfer-matrix calculations, and position-space renormalization-group calculations. The interplay between the quenched randomness of the anisotropy and the annealed disorder introduced by the spin-1 model leads to a rich phase diagram with a variety of phase transitions and reentrant behavior. The results may be relevant to the study of the phase separation of He-3 - He-4 mixtures in porous media in the vicinity of the superfluid transition.

Maritan, Amos↗
DOE OSTI2021

Three-state harmonic models for photoinduced charge transfer

A widely used strategy for simulating the charge transfer between donor and acceptor electronic states in an all-atom anharmonic condensedphase system is based on invoking linear response theory to describe the system in terms of an effective spin-boson model Hamiltonian. Extending this strategy to photoinduced charge transfer processes requires also taking into consideration the ground electronic state in addition to the excited donor and acceptor electronic states. In this paper, we revisit the problem of describing such nonequilibrium processes in terms of an effective three-state harmonic model. We do so within the framework of nonequilibrium Fermi’s golden rule (NE-FGR) in the context of photoinduced charge transfer in the carotenoid–porphyrin–C 60 (CPC 60 ) molecular triad dissolved in explicit tetrahydrofuran (THF). To this end, we consider different ways for obtaining a three-state harmonic model from the equilibrium autocorrelation functions of the donor–acceptor, donor–ground, and acceptor–ground energy gaps, as obtained from all-atom molecular dynamics simulations of the CPC 60 /THF system. The quantum-mechanically exact time-dependent NE-FGR rate coefficients for two different charge transfer processes in two different triad conformations are then calculated using the effective three-state model Hamiltonians as well as a hierarchy of more approximate expressions that lead to the instantaneous Marcus theory limit. Our results show that the photoinduced charge transfer in CPC 60 /THF can be described accurately by the effective harmonic three-state models and that nuclear quantum effects are small in this system.

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

Nanosecond isomers and the evolution of collectivity in stable, even- A Hg isotopes

Isomeric states and associated collective structures have been studied up to high spin in 198,200,202 Hg using multinucleon transfer reactions and the Gammasphere array. A coupled rotational band, with possible four-quasiparticle character, is established in 198 Hg. Sequences built on two-quasiparticle, positive- and negative-parity levels are assigned to 202 Hg. New isomers in 202 Hg with I π = (7 – ) and (9 – ), and T 1/2 = 10.4(4) ns and 1.4(3) ns, respectively, have been identified. A half-life of 1.0(3) ns is established for the I π = 12 + state in 200 Hg. B(E2) values deduced from isomeric transitions in Hg isotopes indicate that, while collectivity near the ground state gradually diminishes from N = 112 to N = 124, it is found to increase for the 12 + and 9 – states up to N = 118, followed by a reduction for higher neutron numbers. Calculations using the ultimate cranker code provide insight into the variation of deformation with spin and allow for an understanding of observed band crossings. As a result, the evolution of collectivity with spin, and along the isotopic chain, is described.

190 ≤ A ≤ 219↗
DOE OSTI2024

Fluctuating charge-density-wave correlations in the three-band Hubbard model

The high-temperature superconducting cuprates host unidirectional spin- and charge-density-wave orders that can intertwine with superconductivity in nontrivial ways. While the charge components of these stripes have now been observed in nearly all cuprate families, their detailed evolution with doping varies across different materials and at high and low temperatures. We address this problem using nonperturbative determinant quantum Monte Carlo calculations for the three-band Hubbard model. Using an efficient implementation, we can resolve the model’s fluctuating spin and charge modulations and map their evolution as a function of the charge transfer energy and doping. We find that the incommensurability of the charge modulations is decoupled from the spin modulations and decreases with hole doping, consistent with experimental measurements at high temperatures. These findings support the proposal that the high-temperature charge correlations are distinct from the intertwined stripe order observed at low-temperature and in the single-band Hubbard model.

42 ENGINEERING↗
DOE OSTI2024

Data Files for P. Mai et al., "Fluctuating charge-density-wave correlations in the three-band Hubbard model" (2024)

The high-temperature superconducting cuprates host unidirectional spin- and charge-density-wave orders that can intertwine with superconductivity in nontrivial ways. While the charge components of these stripes have now been observed in nearly all cuprate families, their detailed evolution with doping varies across different materials and at high and low temperatures. We address this problem using nonperturbative determinant quantum Monte Carlo calculations for the three-band Hubbard model. Using an efficient implementation, we can resolve the model’s fluctuating spin and charge modulations and map their evolution as a function of the charge transfer energy and doping. We find that the incommensurability of the charge modulations is decoupled from the spin modulations and decreases with hole doping, consistent with experimental measurements at high temperatures. These findings support the proposal that the high-temperature charge correlations are distinct from the intertwined stripe order observed at low-temperature and in the single-band Hubbard model.

cuprates↗
DOE OSTI2026

Angular momentum of vacuum bubbles in a first-order phase transition

The formation of primordial black holes (PBHs) during a first-order phase transition (FOPT) in a dark sector has been of recent interest. A quantity that characterizes a black hole is its spin. We carry out the first step towards determining the spin of such PBHs, by calculating the spin of spherical false vacuum bubbles induced by cosmological perturbations. The angular momentum is given by the product of density and velocity perturbations. We carefully track the evolution of background quantities and calculate the transfer functions during the FOPT. We find that the dimensionless spin parameter s = J /(G N M 2 ) of false vacuum bubbles of mass M and angular momentum J , take a wide range of values from 𝒪(10 -5 ) to 𝒪(10) for FOPTs between 10 keV and 100 GeV and a dark sector that is 0.1 to 0.4 times cooler than the visible sector. We also find a scaling relation between the root-mean-square value of the spin, the FOPT time scale, the bubble wall velocity, and the dark sector-to-visible sector temperature ratio.

cosmological phase transitions↗
DOE OSTI2020

Chiral topologically ordered insulating phases in arrays of interacting integer quantum Hall islands

Here, we study networks of Coulomb-blockaded integer quantum Hall islands with even fillings ν = 2 k ( k being an integer), including cases with 2 k layers each of ν = 1 fillings. Allowing only spin-current interactions between the islands (i.e., without any charge transfer), we obtain solvable models leading to a rich set of insulating S U ( 2 ) k topologically ordered phases. The case with k = 1 is dual to the Kalmeyer-Laughlin phase, k = 2 to Kitaev's chiral spin liquid and the Moore-Read state, and k = 3 contains a Fibonacci anyon that may be utilized for universal topological quantum computation. Additionally, we show how the S U ( 2 ) k topological phases may be obtained also in an array of islands with ν = 2 k integer quantum Hall states and critical spin chains in a checkerboard pattern. The array and checkerboard constructions gap out the charge mode and additional “flavor” modes by virtue of their geometry. Furthermore, we find that a fine tuning of the system parameter is not needed in the checkerboard configuration and the ν = 2 case. We also discuss their bulk excitations, and show that their thermal Hall conductance is universal, reflecting the central charge c = 3 k / ( k + 2 ) of the chiral edge modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Hyperfine spectroscopy using transverse modulated optical pumping

Population inversion is observed between the field-independent ground hyperfine states of Rb-87 when using an optical pumping technique which is applicable to a large number of species of atoms and ions. Inversion occurs upon a coherent transfer of angular momentum to the Rb-87 spin system from circularly polarized light propagating in a transverse direction to a magnetic field. Coherence is established by modulating, at certain frequencies, the light intensity or magnetic-field strength.

Hughes, W. M.↗
NASA NTRS2019

Anti-Glitches in the Ultraluminous Accreting Pulsar NGC 300 ULX-1 Observed with NICER

We present evidence for three spin-down glitches (or “anti-glitches”) in the ultraluminous accreting X-ray pulsar NGC 300 ULX-1, in timing observations made with the Neutron Star Interior Composition Explorer. Our timing analysis reveals three sudden spin-down events of magnitudes Δν=−23, −30, and −43 μHz (fractional amplitudes Δν/ν=−4.4, −5.5, and −7.7×10−4). We determined fully phase-coherent timing solutions through the first two glitches, giving us high confidence in their detection, while the third candidate glitch is somewhat less secure. These are larger in magnitude (and opposite in sign) than any known radio pulsar glitch. This may be caused by the prolonged rapid spin up of the pulsar, causing a sudden transfer of angular momentum between the superfluid and non-superfluid components of the star. We find no evidence for profile or spectral changes at the epochs of the glitches, supporting the conclusion that these are due to the same process as in normal pulsar glitches, but in reverse.

Paul S Ray↗