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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Carrier dynamics of intermediate sub-bandgap transitions in ZnTeO

The incorporation of electronic states in the bandgap, with high radiative efficiency, provides a means for optical up/down conversion and for tuning the carrier lifetime of a material. Such intermediate states in highly mismatched alloys have recently received much attention due to their potential for an efficient solar energy conversion. Understanding the carrier dynamics and pathways for the charge transfer of sub-bandgap transitions is critical for understanding energy conversion processes. In this work, time-resolved photoluminescence of ZnTeO is reported, revealing electron relaxation from the conduction band to the intermediate band and the carrier transfer between intermediate states and the conduction band utilizing two time-delayed optical excitations. Furthermore, this work demonstrates the utility of time-resolved techniques for characterizing energy conversion mechanisms in intermediate band materials, and the ability to use intermediate states to intentionally alter carrier lifetimes in materials for applications such as ultrafast scintillation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Quantum parity Hall effect in Bernal-stacked trilayer graphene

The quantum Hall effect has recently been generalized from transport of conserved charges to include transport of other approximately conserved-state variables, including spin and valley, via spin- or valley-polarized boundary states with different chiralities. In this paper, we report a class of quantum Hall effect in Bernal- or ABA-stacked trilayer graphene (TLG), the quantum parity Hall (QPH) effect, in which boundary channels are distinguished by even or odd parity under the system’s mirror reflection symmetry. At the charge neutrality point, the longitudinal conductance σ x x is first quantized to 4 e 2 / h at a small perpendicular magnetic field B ⊥ , establishing the presence of four edge channels. As B ⊥ increases, σ x x first decreases to 2 e 2 / h , indicating spin-polarized counterpropagating edge states, and then, to approximately zero. These behaviors arise from level crossings between even- and odd-parity bulk Landau levels driven by exchange interactions with the underlying Fermi sea, which favor an ordinary insulator ground state in the strong B ⊥ limit and a spin-polarized state at intermediate fields. The transitions between spin-polarized and -unpolarized states can be tuned by varying Zeeman energy. Our findings demonstrate a topological phase that is protected by a gate-controllable symmetry and sensitive to Coulomb interactions.

2D materials↗
DOE OSTI2011

Electronic Structure of CeFeAsO1-xFx (x=0, 0.11/x=0.12) compounds

We report an extensive study on the intrinsic bulk electronic structure of the high-temperature superconductor CeFeAsO{sub 0.89}F{sub 0.11} and its parent compound CeFeAsO by soft and hard x-ray photoemission, x-ray absorption and soft-x-ray emission spectroscopies. The complementary surface/bulk probing depth, and the elemental and chemical sensitivity of these techniques allows resolving the intrinsic electronic structure of each element and correlating it with the local structure, which has been probed by extended-x-ray absorption fine structure spectroscopy. The measurements indicate a predominant 4f{sup 1} (i.e. Ce{sup 3+}) initial state configuration for Cerium and an effective valence-band-to-4f charge-transfer screening of the core hole. The spectra also reveal the presence of a small Ce f{sup 0} initial state configuration, which we assign to the occurrence of an intermediate valence state. The data reveal a reasonably good agreement with the partial density of states as obtained in standard density functional calculations over a large energy range. Implications for the electronic structure of these materials are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Multipolariton control in attosecond transient absorption of autoionizing states

Tunable attosecond transient absorption spectroscopy is an ideal tool for studying and manipulating autoionization dynamics in the continuum. We investigate near-resonant two-photon couplings between the bright 3s –1 4p and dark 3s –1 4f autoionizing states of argon that lead to Autler-Townes-like interactions, forming entangled light-matter states or polaritons. We observe that one-photon couplings with intermediate dark states play an important role in this interaction, leading to the formation of multiple polaritonic branches whose energies exhibit avoided crossings as a function of the dressing-laser frequency. Our experimental measurements and theoretical essential-state simulations show good agreement and reveal how the delay, frequency, and intensity of the dressing pulse govern the properties of autoionizing polariton multiplets. Furthermore, these results demonstrate new pathways for quantum control of autoionizing states with optical fields.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2010

Two-photon-induced x-ray emission in neon atoms

We investigated the resonant x-ray emission from a neon atom induced by the two-photon population of a double-core-hole excited state. Two qualitatively different schemes of this process are studied: The first one involves an off-resonant intermediate single-core-hole state; the second scheme passes through a resonant core-ionized intermediate state. The numerical simulations of the resonant x-ray emission performed for different peak intensities and pulse durations show significant population of the double-core-hole final states. Therefore, rather strong two-photon absorption-induced x-ray emission is predicted for both studied schemes. Thus, high counting rates in experimental measurements are expected.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Synthesis, structural and electronic properties of monodispersed self-organized single crystalline nanobricks of isocubanite CuFe{sub 2}S{sub 3}

The nanoparticles with a pure cubic phase of isocubanite CuFe{sub 2}S{sub 3} are successfully synthesized for the first time. The particles are self-organized into the single crystalline nanocomposites with a shape of “bricks” which are well ordered in a certain anisotropic orientation. All bricks have nearly the same shape and dimensions and may be considered as monodispersed nanobricks. Magnetic measurements show paramagnetic behavior of the compound down to 4.2 K with the antiferromagnetic correlation between iron ions. An average magnetic moment is about 2.8–3.0 μ{sub B} per formula unit CuFe{sub 2}S{sub 3}. Mössbauer spectroscopy data reveal that the ferric ions in isocubanite are in the high-spin state (spin S=5/2) whereas the ferrous ions are in the intermediate-spin state (S=1). The Fe{sup 3+} and Fe{sup 2+} ions are distributed randomly over tetrahedral sites and the electron exchange between these ions is absent. This can explain nonmagnetic behavior of isocubanite. In the suggested method, the combined nanocomposites containing the magnetic chalcopyrite CuFeS{sub 2} and the nonmagnetic isocubanite CuFe{sub 2}S{sub 3} can be synthesized in a certain sequence. Such composites could be useful for the applied nanotechnology. - Graphical abstract: Self-organized single crystalline “nanobricks” of isocubanite CuFe{sub 2}S{sub 3} synthesized by a thermal pyrolysis method. - Highlights: • Self-organized single crystalline “nanobricks” of CuFe{sub 2}S{sub 3} were synthesized. • All bricks are nearly monodispersed and well-ordered in a certain anisotropic orientation. • XRD, HRTEM, magnetic measurements and Mössbauer spectroscopy were used for characterization. • Nanobricks are paramagnetic down to 4.2 K with effective magnetic moment about 3.0 μ{sub B} per f.u. • Mössbauer spectroscopy data indicate different spin states of Fe{sup 2+} and Fe{sup 3+} ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Evidence for a glassy state in strongly driven carbon

Here, we report results of an experiment creating a transient, highly correlated carbon state using a combination of optical and x-ray lasers. Scattered x-rays reveal a highly ordered state with an electrostatic energy significantly exceeding the thermal energy of the ions. Strong Coulomb forces are predicted to induce nucleation into a crystalline ion structure within a few picoseconds. However, we observe no evidence of such phase transition after several tens of picoseconds but strong indications for an over-correlated fluid state. The experiment suggests a much slower nucleation and points to an intermediate glassy state where the ions are frozen close to their original positions in the fluid.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1999

Quasi-Periodic Oscillations in Black Hole Candidates as an Indicator of Transition Between Low and High States

By comparing positions on a spectral color-color diagram from 10 black hole candidates (BHCS) observed with Ginga (1354-64, 1826-24, 1630-47, LMC X-1, LMC X-3, GS 2000+25, GS 2023+33, GS 1124-68, Cyg X-1, and GX 339-4) with the observed broadband noise (BBN) (0.001-64 Hz) and quasi-periodic oscillation (QPO) variability, we find that the "very high state" is spectrally intermediate to the soft/high state and hard/low state. We find a transition point in spectral hardness where the dependence of the BHC QPO centroid frequency (of GS 1124-68 and GX 339-4) on spectral hardness switches from a correlation to an anticorrelation; where the BBN variability switches from high state to low state; and where the spectral hardness of the QPO relative to that of the BBN variability is a maximum. This coincidence of changing behavior in both the QPO and the broadband variability leads us to hypothesize that the QPO is due to interaction between the physical components which dominate the behaviors of BHCs when they occupy the hard/low and soft/high states. We conclude that these QPOs should be observed from BHCs during transition between these two states. Comparison with QPO and BBN behavior observed during the 1996 transition of Cyg X-1 supports this hypothesis. We also report 1-3 Hz QPOs observed in GS 2000+25 and Cyg X-1 in the hard/low state, and we compare these to the QPOs observed in GS 1124-68 and GX 339-4.

Rutledge, Robert E.↗
DOE OSTI2021

Challenges to detection: Humidity as a spur to chemical agent change

Detecting chemical agents in outdoor environments such as a battlefield is made challenging by not only the spurious signatures from background chemicals and surfaces (e.g. asphalt, dirt, concrete), but also by the chemical transformation of the actual agents. The change of CW agents to other species can be catalyzed by other chemicals present in the scene, by different substrates, as well as by local weather conditions. Some of the final environmental transformation products are known (e.g. for the G agents methylphosphonic acid), but many of the intermediate chemical states are not, nor are the rates of transformation to the other intermediates or the end products. In this study we have made preliminary optical investigations into the degradation products of a G-agent intermediate, namely methylphosphonic anhydride and its rate of conversion to the more stable methylphosphonic acid. Using infrared and Raman spectroscopies, we have found that the relative humidity (RH) greatly affects the rate of change and we report first results from these studies.

: chemical warfare agent detection, Methylphosphon↗
DOE OSTI2022

Drastic enhancement of magnetic critical temperature and amorphization in topological magnet EuSn 2 P 2 under pressure

High pressure is an effective tool to induce exotic quantum phenomena in magnetic topological insulators by controlling the interplay of magnetic order and topological state. This work presents a comprehensive high-pressure study of the crystal structure and magnetic ground state up to 62 GPa in an intrinsic topological magnet EuSn 2 P 2 . With a combination of high resolution X-ray diffraction, 151 Eu synchrotron Mössbauer spectroscopy, X-ray absorption spectroscopy, molecular orbital calculations, and electronic band structure calculations, it has been revealed that pressure drives EuSn 2 P 2 from a rhombohedral crystal to an amorphous phase at 36 GPa accompanied by a fourfold enhancement of magnetic ordering temperature. In the pressure-induced amorphous phase, Eu ions take an intermediate valence state. The drastic enhancement of magnetic ordering temperature from 30 K at ambient pressure to 130 K at 41.2 GPa resulting from Ruderman–Kittel–Kasuya–Yosida (RKKY) interactions likely attributes to the stronger Eu–Sn interaction at high pressure. These rich results demonstrate that EuSn 2 P 2 is an ideal platform to study the correlation of the enhanced RKKY interactions, disordered lattice, intermediate valence, and topological state.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Optical-optical double resonance, laser induced fluorescence, and revision of the signs of the spin-spin constants of the boron carbide (BC) free radical

The cold boron carbide free radical (BC X {sup 4}Σ{sup −}) has been produced in a pulsed discharge free jet expansion using a precursor mixture of trimethylborane in high pressure argon. High resolution laser induced fluorescence spectra have been obtained for the B {sup 4}Σ{sup −}–X {sup 4}Σ{sup −} and E {sup 4}Π–X {sup 4}Σ{sup −} band systems of both {sup 11}BC and {sup 10}BC. An optical-optical double resonance (OODR) scheme was implemented to study the finer details of both band systems. This involved pumping a single rotational level of the B state with one laser and then recording the various allowed transitions from the intermediate B state to the final E state with a second laser by monitoring the subsequent E–X ultraviolet fluorescence. In this fashion, we were able to prove unambiguously that, contrary to previous studies, the spin-spin constant λ is negative in the ground state and positive in the B {sup 4}Σ{sup −} excited state. It has been shown that λ″ < 0 is in fact expected based on a semiempirical second order perturbation theory calculation of the magnitude of the spin-spin constant. The OODR spectra have also been used to validate our assignments of the complex and badly overlapped E {sup 4}Π–X {sup 4}Σ{sup −} 0-0 and 1-0 bands of {sup 11}BC. The E–X 0-0 band of {sup 10}BC was found to be severely perturbed. The ground state main electron configuration is …3σ{sup 2}4σ{sup 2}5σ{sup 1}1π{sup 2}2π{sup 0} and the derived bond lengths show that there is a 0.03 Å contraction in the B state, due to the promotion of an electron from the 4σ antibonding orbital to the 5σ bonding orbital. In contrast, the bond length elongates by 0.15 Å in the E state, a result of promoting an electron from the 5σ bonding orbital to the 2π antibonding orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

X-RAY, OPTICAL, AND INFRARED OBSERVATIONS OF GX 339-4 DURING ITS 2011 DECAY

We report multiwavelength observations of the black hole transient GX 339-4 during its outburst decay in 2011 using the data from RXTE, Swift, and SMARTS. Based on the X-ray spectral, temporal, and optical and infrared (OIR) properties, the source evolved from the soft intermediate to the hard state. Twelve days after the start of the transition toward the hard state, a rebrightening was observed simultaneously in the optical and the infrared bands. Spectral energy distributions (SEDs) were created from observations at the start, and close to the peak of the rebrightening. The excess OIR emission above the smooth exponential decay yields flat spectral slopes for these SEDs. Assuming that the excess is from a compact jet, we discuss the possible locations of the spectral break that mark the transition from optically thick to optically thin synchrotron components. Only during the rising part of the rebrightening, we detected fluctuations with the binary period of the system. We discuss a scenario that includes irradiation of the disk in the intermediate state, irradiation of the secondary star during OIR rise, and jet emission dominating during the peak to explain the entire evolution of the OIR light curve.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Reversible, irreversible, and mixed regimes for periodically driven disks in random obstacle arrays

We examine an assembly of repulsive disks interacting with a random obstacle array under a periodic drive and find a transition from reversible to irreversible dynamics as a function of drive amplitude or disk density. At low densities and drives, the system rapidly forms a reversible state where the disks return to their exact positions at the end of each cycle. In contrast, at high amplitudes or high densities, the system enters an irreversible state where the disks exhibit normal diffusion. Between these two regimes, there can be an intermediate irreversible state where most of the system is reversible, but localized irreversible regions are present that are prevented from spreading through the system due to a screening effect from the obstacles. Here, we also find states that we term “combinatorial reversible states” in which the disks return to their original positions after multiple driving cycles. In these states, individual disks exchange positions but form the same configurations during the subcycles of the larger reversible cycle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Microscopic study of the Fulde-Ferrell-Larkin-Ovchinnikov state in an all-organic superconductor.

Quasi-two-dimensional superconductors with a sufficiently weak interlayer coupling allow magnetic flux to penetrate in the form of Josephson vortices for in-plane applied magnetic fields. A consequence is the dominance of the Zeeman interaction over orbital effects. In the clean limit, the normal state is favored over superconductivity for fields greater than the paramagnetic limiting field, unless an intermediate, inhomogeneous state is stabilized. Presented here are nuclear magnetic resonance (NMR) studies of the inhomogeneous Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state for beta ''-(ET)(2)SF5CH2CF2SO3. The uniform superconductivity-FFLO transition is identified at an applied field value of 9.3(0.1) T at low temperature (T = 130 mK), and evidence for a possible second transition between inhomogeneous states at similar to 11 T is presented. The spin polarization distribution inferred from the NMR absorption spectrum compares favorably to a single-Q modulation of the superconducting order parameter.

Koutroulakis, G.↗
DOE OSTI2021

Photocatalytic Transfer Hydrogenation in Water: Insight into Mechanism and Catalyst Speciation

Organometallic catalysts with strong metal-to-ligand charge-transfer (MLCT) optical transitions and reactive metal-hydride bonds provide opportunities for new excited-state reactivity. Toward this end, we have investigated photoinduced transfer hydrogenation reactions for a series of Cp*IrH complexes with functionalized bipyridyl ligands. Overcoming the baseline reactivity of this class of catalyst toward hydrogen evolution in aqueous media presents a major challenge for focusing this photochemical reactivity into desired transformations of more complex organic substrates. In this work, a photochemically induced aqueous ketone reduction catalyzed by [Cp*Ir(bpy)H][Cl] is reported and benchmarked to the competing hydrogen evolution reaction (HER). A detailed mechanistic study is conducted of the reduction of cyclohexanone with sodium formate delivering the reducing equivalent. Examining the kinetic profile of the cyclohexanone reduction revealed an unexpected induction period, suggesting a more complex underlying reaction mechanism where product selectivity was not simply a function of direct competition from a common excited-state reactive intermediate. The reaction kinetics were analyzed by variable time normalization analysis (VTNA), and the catalyst resting state was interrogated through operando light-emitting diode (LED) illumination H-1 NMR spectroscopy. Overall, these and other mechanistic studies provide insight into a photochemical reaction pathway to ketone reduction that is distinct from that previously reported for HER.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Laser power density dependence on charge state distribution of Ta ion laser plasma

Laser power density per pulse, which is commonly expressed with the unit of “W/cm2,” is an important parameter to characterize ablation plasma. To match a design charge state of heavy ion beam induced by a laser ion source, a laser power density must be carefully chosen. Above around 108 W/cm2 of laser power density, laser ablation plasma is emitted from the surface of solid material. Then, up to 109 W/cm2, the most abundant charge state is 1+. Because the ionization energy increases with higher charge states, increasing the laser intensity leads to the charge state distribution shifting higher. Increasing the density to increase charge states also results in lower time of flight due to higher velocities. The maximum laser power density is obtained by the smallest available laser spot size on the target material which is determined by the quality of the laser beam. For many accelerator applications, higher charge state beams are preferred. In particular cases, singly charge ion beams are demanded. Therefore, production of intermediate charge state beams has not been investigated well. In this study, we selected Ta4+ as an example demanded beam and tried to clarify how the transition of charge state distribution depends on laser power density. Conclusively, the possible specification of a laser ion source for Ta4+ delivery was elucidated.

Okamura, Masahiro (ORCID:0000000255521706)↗
DOE OSTI2017

Parallel magnetic field suppresses dissipation in superconducting nanostrips

The motion of Abrikosov vortices in type-II superconductors results in a finite resistance in the presence of an applied electric current. Elimination or reduction of the resistance via immobilization of vortices is the "holy grail" of superconductivity research. Common wisdom dictates that an increase in the magnetic field escalates the loss of energy since the number of vortices increases. Here we show that this is no longer true if the magnetic field and the current are applied parallel to each other. Our experimental studies on the resistive behavior of a superconducting Mo0.79Ge0.21 nanostrip reveal the emergence of a dissipative state with increasing magnetic field, followed by a pronounced resistance drop, signifying a reentrance to the superconducting state. Large-scale simulations of the 3D time-dependent Ginzburg-Landau model indicate that the intermediate resistive state is due to an unwinding of twisted vortices. When the magnetic field increases, this instability is suppressed due to a better accommodation of the vortex lattice to the pinning configuration. Our findings show that magnetic field and geometrical confinement can suppress the dissipation induced by vortex motion and thus radically improve the performance of superconducting materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Much more to explore with an oxidation state of nearly four: Pr valence instability in intermetallic m -Pr 2 Co 3 Ge 5

For some intermetallic compounds containing lanthanides, structural transitions can result in intermediate electronic states between trivalency and tetravalency; however, this is rarely observed for praseodymium compounds. The dominant trivalency of praseodymium limits potential discoveries of emergent quantum states in itinerant 4$f$ 1 systems accessible using Pr 4+ -based compounds. Here, we use in situ powder x-ray diffraction and in situ electron energy-loss spectroscopy (EELS) to identify an intermetallic example of a dominantly Pr 4+ state in the polymorphic system Pr 2 Co 3 Ge 5 . The structure-valence transition from a nearly full Pr 4+ electronic state to a typical Pr 3+ state shows the potential of Pr-based intermetallic compounds to host valence-unstable states and provides an opportunity to discover previously unknown quantum phenomena. In addition, this work emphasizes the need for complementary techniques like EELS when evaluating the magnetic and electronic properties of Pr intermetallic systems to reveal details easily overlooked when relying on bulk magnetic measurements alone.

36 MATERIALS SCIENCE↗