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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 901 records · Page 50
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DOE OSTI2014

Ultrafast carrier dynamics in CuInS{sub 2} quantum dots

The ultrafast carrier dynamics in CuInS{sub 2} (CIS) quantum dots (QDs) was studied by means of femtosecond transient absorption (TA) spectroscopy. The size-dependent 1S transition energy determined from bleaching spectra is in agreement with that calculated on the finite-depth-well model in the effective mass approximation. The TA bleaching comes from filling of electron quantized levels, allowing us to know the dynamics of the 1S electron in CIS QDs. The sub-100-ps electron trapping at surface defects in bare QDs accelerates with decreasing QD size, while is effectively suppressed in well-passivated CIS/ZnS core/shell QDs.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Wave–vortex interactions in the nonlinear Schrödinger equation

This is a theoretical study of wave–vortex interaction effects in the two-dimensional nonlinear Schrödinger equation, which is a useful conceptual model for the limiting dynamics of superfluid quantum condensates at zero temperature. The particular wave–vortex interaction effects are associated with the scattering and refraction of small-scale linear waves by the straining flows induced by quantized point vortices and, crucially, with the concomitant nonlinear back-reaction, the remote recoil, that these scattered waves exert on the vortices. Our detailed model is a narrow, slowly varying wavetrain of small-amplitude waves refracted by one or two vortices. Weak interactions are studied using a suitable perturbation method in which the nonlinear recoil force on the vortex then arises at second order in wave amplitude, and is computed in terms of a Magnus-type force expression for both finite and infinite wavetrains. In the case of an infinite wavetrain, an explicit asymptotic formula for the scattering angle is also derived and cross-checked against numerical ray tracing. Finally, under suitable conditions a wavetrain can be so strongly refracted that it collapses all the way onto a zero-size point vortex. This is a strong wave–vortex interaction by definition. The conditions for such a collapse are derived and the validity of ray tracing theory during the singular collapse is investigated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Nonadiabatic electron dynamics of single-electron transport in a perpendicular magnetic field

We present results of our investigation into the nonadiabatic electron dynamics of a moving quantum dot assisted by surface acoustic waves (SAWs) in a perpendicular magnetic field. The measurements show the evolution of a quantized acoustoelectric current in a modulated external field, which provides direct information of the energy spectrum and the occupation of the SAW-induced elliptical dynamical quantum dot. By comparing the magnetic field dependence of the spectrum with that of a somewhat symmetric circular dot, we find the appearance of nonadiabatic excitations at low magnetic fields resulting from the anisotropy of the dot. We also detect the transitions between different quantum states of the elliptical dot, achieved by exploiting the interference of two phase-tuned SAWs. Our results demonstrate that the quantum states in an asymmetric dot are fragile and extremely sensitive to their environment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Neutral and positively charged excitons in narrow quantum ring

We study theoretically quantized states of a neutral and a positively charged exciton (trion X{sup +}) confined in a heterostructure with the ring-like geometry. In order to assess the experimentally relevant domain of parameters, we adopt a simple model of a narrow ring when 3D wave equations for the neutral and positively charged excitons can be separated. By using the Fourier series method, we have calculated the energy spectra of excitons complexes in a quantum ring as a function of the electron-to-hole mass ratio, the ring radius, and the magnetic field strength. The quantum-size effect and the size-dependent magnetic oscillations of energy levels of excitons' complexes spectra have been revealed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

The features of ballistic electron transport in a suspended quantum point contact

A suspended quantum point contact and the effects of the suspension are investigated by performing identical electrical measurements on the same experimental sample before and after the suspension. In both cases, the sample demonstrates conductance quantization. However, the suspended quantum point contact shows certain features not observed before the suspension, namely, plateaus at the conductance values being non-integer multiples of the conductance quantum, including the “0.7-anomaly.” These features can be attributed to the strengthening of electron-electron interaction because of the electric field confinement within the suspended membrane. Thus, the suspended quantum point contact represents a one-dimensional system with strong electron-electron interaction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Construction of dynamics and time-ordered exponential for unbounded non-symmetric Hamiltonians

We prove under certain assumptions that there exists a solution of the Schrödinger or the Heisenberg equation of motion generated by a linear operator H acting in some complex Hilbert space H, which may be unbounded, not symmetric, or not normal. We also prove that, under the same assumptions, there exists a time evolution operator in the interaction picture and that the evolution operator enjoys a useful series expansion formula. This expansion is considered to be one of the mathematically rigorous realizations of so-called “time-ordered exponential,” which is familiar in the physics literature. We apply the general theory to prove the existence of dynamics for the mathematical model of Quantum Electrodynamics quantized in the Lorenz gauge, the interaction Hamiltonian of which is not even symmetric or normal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Photoinduced band filling in strongly confined colloidal PbS quantum dots

Increase in continuous wave laser excitation (6 W/cm{sup 2} to 120 W/cm{sup 2}) of colloidal PbS quantum dots in the strongly quantized regime (diameters 2.0 nm and 4.7 nm) deposited on semi-insulating GaAs and glass causes a clear blue shift (0.019 eV and 0.080 eV) of the emission spectra. Proof of the applicability of a dynamic three-dimensional band filling model is the significance of the presented results and demonstrates the effective electronic coupling in quantum dot arrays similar to superlattices. The work also reveals the influence of quantum dot sizes on photo-doping effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Tunable spin wave dynamics in two-dimensional Ni{sub 80}Fe{sub 20} nanodot lattices by varying dot shape

We demonstrate tunable spin wave spectrum in two-dimensional Ni{sub 80}Fe{sub 20} nanodot lattices by varying dot shape. A single collective mode in elliptical dot lattices transforms into three distinct modes for the half-elliptical, rectangular, and diamond dot lattices, albeit with different peak frequencies and intensities. A drastic change is observed for the triangular dots, where eight modes covering a broad band are observed. Using micromagnetic simulations, we characterized the modes as different localized, extended, and quantized modes, whose frequencies and spatial profiles are determined by a combination of internal field profiles within the nanodots and the stray magnetic field within the lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Pilot-wave hydrodynamics in a rotating frame: Exotic orbits

We present the results of a numerical investigation of droplets walking on a rotating vibrating fluid bath. The drop's trajectory is described by an integro-differential equation, which is simulated numerically in various parameter regimes. As the forcing acceleration is progressively increased, stable circular orbits give way to wobbling orbits, which are succeeded in turn by instabilities of the orbital center characterized by steady drifting then discrete leaping. In the limit of large vibrational forcing, the walker's trajectory becomes chaotic, but its statistical behavior reflects the influence of the unstable orbital solutions. The study results in a complete regime diagram that summarizes the dependence of the walker's behavior on the system parameters. Our predictions compare favorably to the experimental observations of Harris and Bush [“Droplets walking in a rotating frame: from quantized orbits to multimodal statistics,” J. Fluid Mech. 739, 444–464 (2014)].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Role of photonic angular momentum states in nonreciprocal diffraction from magneto-optical cylinder arrays

Optical eigenstates in a concentrically symmetric resonator are photonic angular momentum states (PAMSs) with quantized optical orbital angular momentums (OAMs). Nonreciprocal optical phenomena can be obtained if we lift the degeneracy of PAMSs. In this article, we provide a comprehensive study of nonreciprocal optical diffraction of various orders from a magneto-optical cylinder array. We show that nonreciprocal diffraction can be obtained only for these nonzero orders. Role of PAMSs, the excitation of which is sensitive to the directions of incidence, applied magnetic field, and arrangement of the cylinders, are studied. Some interesting phenomena such as a dispersionless quasi-omnidirectional nonreciprocal diffraction and spikes associated with high-OAM PAMSs are present and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Hydrogen adsorption in metal-organic frameworks: The role of nuclear quantum effects

The role of nuclear quantum effects on the adsorption of molecular hydrogen in metal-organic frameworks (MOFs) has been investigated on grounds of Grand-Canonical Quantized Liquid Density-Functional Theory (GC-QLDFT) calculations. For this purpose, we have carefully validated classical H{sub 2}-host interaction potentials that are obtained by fitting Born-Oppenheimer ab initio reference data. The hydrogen adsorption has first been assessed classically using Liquid Density-Functional Theory and the Grand-Canonical Monte Carlo methods. The results have been compared against the semi-classical treatment of quantum effects by applying the Feynman-Hibbs correction to the Born-Oppenheimer-derived potentials, and by explicit treatment within the GC-QLDFT. The results are compared with experimental data and indicate pronounced quantum and possibly many-particle effects. After validation calculations have been carried out for IRMOF-1 (MOF-5), GC-QLDFT is applied to study the adsorption of H{sub 2} in a series of MOFs, including IRMOF-4, -6, -8, -9, -10, -12, -14, -16, -18, and MOF-177. Finally, we discuss the evolution of the H{sub 2} quantum fluid with increasing pressure and lowering temperature.

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

Quasiclassical trajectory study of the effect of antisymmetric stretch mode excitation on the O({sup 3}P) + CH{sub 4}(ν{sub 3} = 1) → OH + CH{sub 3} reaction on an analytical potential energy surface. Comparison with experiment

Motivated by a recent crossed-beam experiment on the title reaction reported by Pan and Liu [J. Chem. Phys. 140, 191101 (2014)], a detailed dynamics study was performed at three collision energies using quasiclassical trajectory (QCT) calculations based on a full-dimensional potential energy surface recently developed by our group (PES-2014). Although theory/experiment agreement is not yet quantitative, in general the theoretical results reproduce the experimental evidence: the vibrational branching ratio of OH(v = 1)/OH(v = 0) is ∼0.8/0.2, excitation of the antisymmetric CH stretching mode in methane increases reactivity by factor 2.28–1.50, although an equivalent amount as translational energy is more efficient in promoting the reaction and, finally, product angular distribution shifts from backward in the CH{sub 4}(ν = 0) ground-state to sideways when the antisymmetric CH stretching mode is excited. These results give confidence to the PES-2014 surface, depend on the quantization procedure used, are comparable with recent QCT calculations or improve previous theoretical studies using a different surface, and demonstrate the utility of the theory/experiment collaboration.

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

Quantum Hall effect in HgTe quantum wells at nitrogen temperatures

We report on the observation of quantized Hall plateaus in a system of two-dimensional Dirac fermions, implemented in a 6.6 nm HgTe quantum well at magnetic fields up to 34 T at nitrogen temperatures. The activation energies determined from the temperature dependence of the longitudinal resistivity are found to be almost equal for the filling factors ν of 1 and 2. This indicates that the large values of the g-factor (about 30–40) remain unchanged at very strong magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Classification of constraints and degrees of freedom for quadratic discrete actions

We provide a comprehensive classification of constraints and degrees of freedom for variational discrete systems governed by quadratic actions. This classification is based on the different types of null vectors of the Lagrangian two-form and employs the canonical formalism developed in Dittrich and Höhn [“Constraint analysis for variational discrete systems,” J. Math. Phys. 54, 093505 (2013); e-print http://arxiv.org/abs/arXiv:1303.4294 [math-ph]] and Höhn [“Quantization of systems with temporally varying discretization I: Evolving Hilbert spaces,” J. Math. Phys. 55, 083508 (2014); e-print http://arxiv.org/abs/arXiv:1401.6062 [gr-qc]]. The analysis is carried out in both the classical and quantum theory and applies to systems with both temporally varying or constant discretization. In particular, it is shown explicitly how changes in the discretization, e.g., resulting from canonical coarse graining or refining operations or an evolving background geometry, change the dynamical content of the system. It is demonstrated how, on a temporally varying discretization, constraints, Dirac observables, symmetries, reduced phase spaces, and physical Hilbert spaces become spacetime region dependent. These results are relevant for free field theory on an evolving lattice and linearized discrete gravity models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Cavity-photon-switched coherent transient transport in a double quantum waveguide

We study a cavity-photon-switched coherent electron transport in a symmetric double quantum waveguide. The waveguide system is weakly connected to two electron reservoirs, but strongly coupled to a single quantized photon cavity mode. A coupling window is placed between the waveguides to allow electron interference or inter-waveguide transport. The transient electron transport in the system is investigated using a quantum master equation. We present a cavity-photon tunable semiconductor quantum waveguide implementation of an inverter quantum gate, in which the output of the waveguide system may be selected via the selection of an appropriate photon number or “photon frequency” of the cavity. In addition, the importance of the photon polarization in the cavity, that is, either parallel or perpendicular to the direction of electron propagation in the waveguide system is demonstrated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Angular dependent study on ferromagnetic resonance and spin excitations by spin rectification

We report angular dependent spin rectification spectra which are applied to studying spin excitations in single permalloy stripe. Based on planar Hall effect, those spin excitations generate special resonant dc Hall voltages, which have been characterized as functions of the amplitude and direction of applied magnetic field. Through high angular resolution 2D mappings, the evolutions of different spin excitation can be directly presented, and the dynamic magnetic parameters such as the gyromagnetic ratio, effective exchange field, as well as the quantized numbers of standing spin waves can be accurately determined through fitting the angular evolution of each resonance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Classical integrability for beta-ensembles and general Fokker-Planck equations

Beta-ensembles of random matrices are naturally considered as quantum integrable systems, in particular, due to their relation with conformal field theory, and more recently appeared connection with quantized Painlevé Hamiltonians. Here, we demonstrate that, at least for even integer beta, these systems are classically integrable, e.g., there are Lax pairs associated with them, which we explicitly construct. To come to the result, we show that a solution of every Fokker-Planck equation in one space (and one time) dimensions can be considered as a component of an eigenvector of a Lax pair. The explicit finding of the Lax pair depends on finding a solution of a governing system–a closed system of two nonlinear partial differential equations (PDEs) of hydrodynamic type. This result suggests that there must be a solution for all values of beta. We find the solution of this system for even integer beta in the particular case of quantum Painlevé II related to the soft edge of the spectrum for beta-ensembles. The solution is given in terms of Calogero system of β/2 particles in an additional time-dependent potential. Thus, we find another situation where quantum integrability is reduced to classical integrability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: An analytical versus a molecular dynamical approach

The influence of thermally induced nuclear dynamics (molecular vibrations) in the initial electronic ground state on the valence orbital momentum profiles of furan has been theoretically investigated using two different approaches. The first of these approaches employs the principles of Born-Oppenheimer molecular dynamics, whereas the so-called harmonic analytical quantum mechanical approach resorts to an analytical decomposition of contributions arising from quantized harmonic vibrational eigenstates. In spite of their intrinsic differences, the two approaches enable consistent insights into the electron momentum distributions inferred from new measurements employing electron momentum spectroscopy and an electron impact energy of 1.2 keV. Both approaches point out in particular an appreciable influence of a few specific molecular vibrations of A{sub 1} symmetry on the 9a{sub 1} momentum profile, which can be unravelled from considerations on the symmetry characteristics of orbitals and their energy spacing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗