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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 1,189 records · Page 66
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DOE OSTI2015

Amplification of a seed pumped by a chirped laser in the strong coupling Brillouin regime

Seed amplification via Brillouin backscattering of a long pump laser-pulse is considered. The interaction takes place in the so called strong coupling regime. Pump chirping is applied to mitigate spontaneous Raman backscattering of the pump before interacting with the seed. The strong coupling regime facilitates stronger exponential growth and narrower seeds compared to the so called weak coupling regime, although in the latter the scaling with pump amplitude is stronger. Strong coupling is achieved when the pump laser amplitude exceeds a certain threshold. It is shown how the chirp influences both the linear as well as the nonlinear amplification process. First, linear amplification as well as the seed profiles are determined in dependence of the chirping rate. In contrast to the weak coupling situation, the evolution is not symmetric with respect to the sign of the chirping rate. In the nonlinear stage of the amplification, we find an intrinsic chirp of the seed pulse even for an un-chirped pump. We show that chirping the pump may have a strong influence on the shape of the seed in the nonlinear amplification phase. Also, the influence of pump chirp on the efficiency of Brillouin seed amplification is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Wave excitation by nonlinear coupling among shear Alfvén waves in a mirror-confined plasma

A shear Alfvén wave at slightly below the ion-cyclotron frequency overcomes the ion-cyclotron damping and grows because of the strong anisotropy of the ion temperature in the magnetic mirror configuration, and is called the Alfvén ion-cyclotron (AIC) wave. Density fluctuations caused by the AIC waves and the ion-cyclotron range of frequencies (ICRF) waves used for ion heating have been detected using a reflectometer in a wide radial region of the GAMMA 10 tandem mirror plasma. Various wave-wave couplings are clearly observed in the density fluctuations in the interior of the plasma, but these couplings are not so clear in the magnetic fluctuations at the plasma edge when measured using a pick-up coil. A radial dependence of the nonlinearity is found, particularly in waves with the difference frequencies of the AIC waves; bispectral analysis shows that such wave-wave coupling is significant near the core, but is not so evident at the periphery. In contrast, nonlinear coupling with the low-frequency background turbulence is quite distinct at the periphery. Nonlinear coupling associated with the AIC waves may play a significant role in the beta- and anisotropy-limits of a mirror-confined plasma through decay of the ICRF heating power and degradation of the plasma confinement by nonlinearly generated waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Manipulation of Dy-Mn coupling and ferrielectric phase diagram of DyMn{sub 2}O{sub 5}: The effect of Y substitution of Dy

DyMn{sub 2}O{sub 5} is an extraordinary example in the family of multiferroic manganites and it accommodates both the 4f and 3d magnetic ions with strong Dy-Mn (4f-3d) coupling. The electric polarization origin is believed to arise not only from the Mn spin interactions but also from the Dy-Mn coupling. Starting from proposed scenario on ferrielectricity in DyMn{sub 2}O{sub 5} where the exchange-strictions associated with the Mn{sup 3+}-Mn{sup 4+}-Mn{sup 3+} blocks and Dy{sup 3+}-Mn{sup 4+}-Dy{sup 3+} blocks generate the two ferroelectric sublattices, we perform a set of characterizations on the structure, magnetism, and electric polarization of Dy{sub 1-x}Y{sub x}Mn{sub 2}O{sub 5} in order to investigate the roles of Dy-Mn coupling in manipulating the ferrielectricity. It is revealed that the non-magnetic Y substitution of Dy suppresses gradually the Dy{sup 3+} spin ordering and the Dy-Mn coupling. Consequently, the ferroelectric sublattice generated by the exchange striction associated with the Dy{sup 3+}-Mn{sup 4+}-Dy{sup 3+} blocks is destabilized, but the ferroelectric sublattice generated by the exchange striction associated with the Mn{sup 3+}-Mn{sup 4+}-Mn{sup 3+} blocks remains less perturbed, enabling the ferrielectricity-ferroelectricity transitions with the Y substitution. A phenomenological ferrielectric domain model is suggested to explain the polarization reversal induced by the Y substitution. The present work presents a possible scenario of the multiferroic mechanism in not only DyMn{sub 2}O{sub 5} but probably also other RMn{sub 2}O{sub 5} members with strong 4f-3d coupling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling values

We present a critical analysis of the popular fragment-orbital density-functional theory (FO-DFT) scheme for the calculation of electronic coupling values. We discuss the characteristics of different possible formulations or “flavors” of the scheme which differ by the number of electrons in the calculation of the fragments and the construction of the Hamiltonian. In addition to two previously described variants based on neutral fragments, we present a third version taking a different route to the approximate diabatic state by explicitly considering charged fragments. In applying these FO-DFT flavors to the two molecular test sets HAB7 (electron transfer) and HAB11 (hole transfer), we find that our new scheme gives improved electronic couplings for HAB7 (−6.2% decrease in mean relative signed error) and greatly improved electronic couplings for HAB11 (−15.3% decrease in mean relative signed error). A systematic investigation of the influence of exact exchange on the electronic coupling values shows that the use of hybrid functionals in FO-DFT calculations improves the electronic couplings, giving values close to or even better than more sophisticated constrained DFT calculations. Comparing the accuracy and computational cost of each variant, we devise simple rules to choose the best possible flavor depending on the task. For accuracy, our new scheme with charged-fragment calculations performs best, while numerically more efficient at reasonable accuracy is the variant with neutral fragments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Influence of interparticle electronic coupling on the temperature and size dependent optical properties of lead sulfide quantum dot thin films

We report on the quantum dot (QD) size, temperature, and inter-dot coupling dependence on the optical absorption and emission for PbS QD thin films. Inter-dot coupling is induced by ligand exchange from oleic acid to 1,2-ethanedithiol, and the expected band gap red-shift observed for coupled QD thin films is accompanied by a modification to the temperature-dependence of the band gap energy. The amplitude and temperature dependence of the photoluminescence (PL) Stokes shift support recombination via a mid-gap state and also indicate that the application of band gap-specific models to fit the temperature dependence PL peak energy is inadequate. Electronically coupled QD thin films show PL quenching with decreasing temperature, following a Boltzmann model which is consistent with thermally activated carrier transport. Enhancing the inter-dot coupling results in the dynamic PL decay signal changing from single- to bi-exponential behavior, reveals a size-dependent transport activation energy, and yields a negative temperature dependent band gap energy for the smallest QD diameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Thermally assisted interlayer magnetic coupling through Ba{sub 0.05}Sr{sub 0.95}TiO{sub 3} barriers

We report on the interlayer exchange coupling across insulating barriers observed on Ni{sub 80}Fe{sub 20}/Ba{sub 0.05}Sr{sub 0.95}TiO{sub 3}/La{sub 0.66}Sr{sub 0.33}MnO{sub 3} (Py/BST{sub 0.05}/LSMO) trilayers. The coupling mechanism has been analyzed in terms of the barrier thickness, samples' substrate, and temperature. We examined the effect of MgO (MGO) and SrTiO{sub 3} (STO) (001) single-crystalline substrates on the magnetic coupling and also on the magnetic anisotropies of the samples in order to get a deeper understanding of the magnetism of the structures. We measured a weak coupling mediated by spin-dependent tunneling phenomena whose sign and strength depend on barrier thickness and substrate. An antiferromagnetic (AF) exchange prevails for most of the samples and smoothly increases with the barrier thicknesses as a consequence of the screening effects of the BST{sub 0.05}. The coupling monotonically increases with temperature in all the samples and this behavior is attributed to thermally assisted mechanisms. The magnetic anisotropy of both magnetic components has a cubic symmetry that in the case of permalloy is added to a small uniaxial component.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Projected coupled cluster theory

Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails to describe the system or has to artificially break certain symmetries. On the other hand, projected Hartree-Fock theory captures the essential physics of many kinds of strong correlations via symmetry breaking and restoration. Here, we combine and try to retain the merits of these two methods by applying symmetry projection to broken symmetry coupled cluster wave functions. The non-orthogonal nature of states resulting from the application of symmetry projection operators furnishes particle-hole excitations to all orders, thus creating an obstacle for the exact evaluation of overlaps. Here we provide a solution via a disentanglement framework theory that can be approximated rigorously and systematically. Results of projected coupled cluster theory are presented for molecules and the Hubbard model, showing that spin projection significantly improves unrestricted coupled cluster theory while restoring good quantum numbers. The energy of projected coupled cluster theory reduces to the unprojected one in the thermodynamic limit, albeit at a much slower rate than projected Hartree-Fock.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Interface mixing and its impact on exchange coupling in exchange biased systems

Exchange bias and interlayer exchange coupling are interface driven phenomena. Since an ideal interface is very challenging to achieve, a clear understanding of the chemical and magnetic natures of interfaces is pivotal to identify their influence on the magnetism. We have chosen Ni 80 Fe 20 /CoO(t CoO )/Co trilayers as a model system, and identified non-stoichiometric Ni-ferrite and Co-ferrite at the surface and interface, respectively. These ferrites, being ferrimagnets typically, should influence the exchange coupling. But, in our trilayers the interface ferrites were found not to be ferro-or ferri-magnetic; thus having no observable influence on the exchange coupling. Our analysis also revealed that (i) interlayer exchange coupling was present between Ni 80 Fe 20 and Co even though the interlayer thickness was significantly larger than expected for this phenomenon to happen, and (ii) the majority of the CoO layer (except some portion near the interface) did not contribute to the observed exchange bias. Here, we also identified that the interlayer exchange coupling and the exchange bias properties were not interdependent.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetoelastic coupling and spin contributions to entropy and thermal transport in biferroic yttrium orthochromite

Direct engineering of material properties through exploitation of spin, phonon, and charge-coupled degrees of freedom is an active area of development in materials science. However, the relative contribution of the competing orders to controlling the desired behavior is challenging to decipher. In particular, the independent role of phonons, magnons, and electrons, quasiparticle coupling, and relative contributions to the phase transition free energy largely remain unexplored, especially for magnetic phase transitions. Here, we study the lattice and magnetic dynamics of biferroic yttrium orthochromite using Raman, infrared, and inelastic neutron spectroscopy techniques, supporting our experimental results with first-principles lattice dynamics and spin-wave simulations across the antiferromagnetic transition at T N ~ 138 K. Spectroscopy data and simulations together with the heat capacity (C p ) measurements, allow us to quantify individual entropic contributions from phonons (0.01 ± 0.01k B atom -1 ), dilational (0.03 ± 0.01k B atom -1 ), and magnons (0.11 ± 0.01k B atom -1 ) across TN. High-resolution phonon measurements conducted in a magnetic field show that anomalous T-dependence of phonon energies across TN originates from magnetoelastic coupling. Additionally, phonon scattering is primarily governed by the phonon–phonon coupling, with little contribution from magnon–phonon coupling, short-range spin correlations, or magnetostriction effects; a conclusion further supported by our thermal conductivity measurements conducted up to 14 T, and phenomenological modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Non-linear curvature perturbation in multi-field inflation models with non-minimal coupling

Using the δN formalism we consider the non-linear curvature perturbation in multi-field models of inflation with non-minimal coupling. In particular, we focus on the relation between the δN formalism as applied in the conformally related Jordan and Einstein frames. Exploiting results already known in the Einstein frame, we give expressions for the power spectrum, spectral tilt and non-gaussianity associated with the Jordan frame curvature perturbation. In the case that an adiabatic limit has not been reached, we find that in general these quantities differ from those associated with the Einstein frame curvature perturbation, and also confirm their equivalence in the absence of isocurvature modes. We then proceed to consider two analytically soluble examples, the first involving a non-minimally coupled 'spectator' field and the second being a non-minimally coupled extension of the multi-brid inflation model. In the first model we find that predictions can easily be brought into agreement with the recent Planck results, as the tensor-to-scalar ratio is generally small, the spectral tilt tuneable and the non-gaussianity suppressed. In the second model we find that predictions for all three parameters can differ substantially from those predicted in the minimally coupled case, and that the recent Planck results for the spectral tilt can be used to constrain the non-minimal coupling parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Coupling structure of multi-field primordial perturbations

We investigate the coupling relations among perturbations in general multi-field models. We derived the equations of motion for both background and perturbations in a general basis. Within this formalism, we revisit the construction of kinematic orthogonal normal vectors using the successive time derivatives of the background field velocity. We show that the coupling relations among modes in this kinematic basis can be reduced, by employing the background equations of motion for the scalar fields and their high order time derivatives. There are two typical features in the field space: inflationary trajectory and geometry of the potential. Correspondingly, the couplings among modes fall into two categories: one is controlled only by the kinematic quantities, the other involves high order derivatives of the potential. Remarkably, the couplings of the first category, i.e. controlled by the kinematic quantities only, show a ''chain'' structure. That is, each mode is only coupled to its two neighbour modes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Strong gravitational lensing for the photons coupled to Weyl tensor in a Schwarzschild black hole spacetime

We have investigated the strong gravitational lensing for the photons coupled to Weyl tensor in a Schwarzschild black hole spacetime. We find that in the four-dimensional black hole spacetime the equation of motion of the photons depends not only on the coupling between photon and Weyl tensor, but also on the polarization direction of the photons. It is quite different from that in the case of the usual photon without coupling to Weyl tensor in which the equation of motion is independent of the polarization of the photon. Moreover, we find that the coupling and the polarization direction modify the properties of the photon sphere, the deflection angle, the coefficients in strong field lensing, and the observational gravitational lensing variables. Combining with the supermassive central object in our Galaxy, we estimated three observables in the strong gravitational lensing for the photons coupled to Weyl tensor.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

High-resolution coupled physics solvers for analysing fine-scale nuclear reactor design problems

An integrated multi-physics simulation capability for the design and analysis of current and future nuclear reactor models is being investigated, to tightly couple neutron transport and thermal-hydraulics physics under the SHARP framework. Over several years, high-fidelity, validated mono-physics solvers with proven scalability on petascale architectures have been developed independently. Based on a unified component-based architecture, these existing codes can be coupled with a mesh-data backplane and a flexible coupling-strategy-based driver suite to produce a viable tool for analysts. The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. Finally, the coupling methodology and software interfaces of the framework are presented, along with verification studies on two representative fast sodium-cooled reactor demonstration problems to prove the usability of the SHARP framework.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Magnon-magnon coupling in an all-oxide insulator garnet Y 3 ⁢Fe 5 ⁢O 12 /Tm 3 ⁢Fe 5⁢ O 12 heterostructure

Hybrid magnonic systems have recently attracted significant attention due to their intriguing physics and potential applications in coherent information processing. In this regard, we have investigated magnon-magnon coupling in the all-oxide insulator garnet Y 3⁢ Fe 5⁢ O 12 (YIG)/Tm 3 ⁢Fe 5 ⁢O 12 (TmIG) heterostructure. The presence of an avoided mode crossing region between the ferromagnetic resonance modes of YIG and TmIG indicates interfacial exchange coupling. This all-insulator system enables interfacial coupling via magnon-magnon interactions. The mode crossing occurs at 𝑓 𝑐 = 6.88 GHz, corresponding to the minimal resonance separation between the two hybrid modes. The coupling strength is determined to be 78 MHz (or 2.8 mT), providing clear evidence of magnon-magnon coupling between the two Kittel modes in the YIG/TmIG insulator system at 200 K. As a result, these findings pave the way for engineering magnonic band structures, tunable coherent magnonic interactions, and nonreciprocal spin transport, which are crucial for advancing ultralow-power magnonic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Spin-state transfer in laterally coupled quantum-dot chains with disorders

Quantum dot arrays are a promising medium for transferring quantum information between two distant points without resorting to mobile qubits. Here we study the two most common disorders, namely hyperfine interaction and exchange coupling fluctuations, in quantum dot arrays and their effects on quantum communication through these chains. Our results show that the hyperfine interaction is more destructive than the exchange coupling fluctuations. The average optimal time for communication is not affected by any disorder in the system and our simulations show that antiferromagnetic chains are much more resistive than the ferromagnetic ones against both kind of disorders. Even when time modulation of a coupling and optimal control is employed to improve the transmission, the antiferromagnetic chain performs much better. We have assumed the quasistatic approximation for hyperfine interaction and time-dependent fluctuations in the exchange couplings. Particularly for studying exchange coupling fluctuations we have considered the static disorder, white noise, and 1/f noise.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Nonadiabatic effects induced by the coupling between vibrational modes via Raman fields

We study the effect of coupling between molecular vibrational modes attendant the excitation of Raman transitions using ultrafast chirped laser pulses. We model Raman-active vibrational modes by two-level systems (TLSs) with nondegenerate ground states and a predetermined initial relative phase. Chirp of the pump and Stokes pulses is the same in magnitude and opposite in sign for the whole pulse duration. To reveal the nonadiabatic effects induced by the coupling between the vibrational modes, we compare the model of two uncoupled TLSs with the one of two TLSs coupled by the external fields. The first model shows population inversion. Within the second model, the coupling induces nonadiabatic effects leading to a mixed population distribution. By introducing the time delay between the Stokes and pump pulses, nearly complete population transfer is realized in both coupled TLSs.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Dynamics of cavity fields with dissipative and amplifying couplings through multiple quantum two-state systems

We consider simultaneous dissipative and amplifying coupling of cavity fields to multiple two-state systems. We derive a master equation for optical field in a leaky cavity coupled to a reservoir through multiple two-state systems. In our previous works we have limited our study to systems where the reservoir either solely absorbs energy (detector setup) or adds energy (amplifying setup) to the cavity through a single two-state system. In this work we allow both interactions simultaneously and derive a reduced dynamic model for the optical field. We also generalize our model to cover the coupling of the field to several two state systems and discuss its connection to macroscopic interaction, e.g., in semiconductors. Our model includes four physical parameters: the field two-state system coupling {gamma}, the excitation and deexcitation couplings of the two-state system by the reservoir {lambda}{sub A} and {lambda}{sub D}, respectively, and the mirror losses of the cavity C. We solve the steady-state fields at different regimes of these physical parameters. Furthermore, we show that, depending on the parameters, our model can describe the operation of a detector, a light emitting diode, or a laser.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Stability and time-domain analysis of the dispersive tristability in microresonators under modal coupling

Coupled nonlinear resonators have potential applications for the integration of multistable photonic devices. The dynamic properties of two coupled-mode nonlinear microcavities made of Kerr material are studied by linear stability analysis. Using a suitable combination of the modal coupling rate and the frequency detuning, it is possible to obtain configurations where a hysteresis loop is included inside other bistable cycles. We show that a single resonator with two modes both linearly and nonlinearly coupled via the cross-Kerr effect can have a multistable behavior. This could be implemented in semiconductor nonlinear whispering-gallery-mode microresonators under modal coupling for all optical signal processing or ternary optical logic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗