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A posteriori clear-sky identification methods in solar irradiance time series: Review and preliminary validation using sky imagers
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Curing the Divergence in Time-Dependent Density Functional Quadratic Response Theory
While time-dependent density functional theory has emerged as a method of choice for computing electronic spectra and response of molecules and materials, its reliability is hindered by the adiabatic approximation that is commonly made. In this work, we address one problematic aspect that arises from this approximation: an incorrect pole structure in the quadratic response function, leading to unphysical divergences in excited state-to-state transition probabilities and hyperpolarizabilties. We find the form of the exact quadratic response kernel and derive a practical and accurate approximation that cures the divergence. Here, we demonstrate our results on excited state-to-state transition probabilities of a model system and of the LiH molecule.
Nanoparticle generation and transport resulting from femtosecond laser ablation of ultrathin metal films: Time-resolved measurements and molecular dynamics simulations
The synthesis of metal nanoparticles by ultrafast laser ablation of nanometers-thick metal films has been studied experimentally and computationally. Near-threshold backside laser ablation of 2–20 nm-thick Pt films deposited on fused silica substrates was found to produce nanoparticles with size distributions that were bimodal for the thicker films, but collapsed into a single mode distribution for the thinnest film. Time-resolved imaging of blackbody emission from the Pt nanoparticles was used to reveal the nanoparticle propagation dynamics and estimate their temperatures. The observed nanoparticle plume was compact and highly forward-directed with a well-defined collective velocity that permitted multiple rebounds with substrates to be revealed. Large-scale molecular dynamics simulations were used to understand the evolution of compressive and tensile stresses in the thicker melted liquid films that lead to their breakup and ejection of two groups of nanoparticles with different velocity and size distributions. Ultrafast laser irradiation of ultrathin (few nm) metal films avoids the splitting of the film and appears to be a method well-suited to cleanly synthesize and deposit nanoparticles from semitransparent thin film targets in highly directed beams.
Early time implosion symmetry from two-axis shock-timing measurements on indirect drive NIF experiments
An innovative technique has been developed and used to measure the shock propagation speed along two orthogonal axes in an inertial confinement fusion indirect drive implosion target. This development builds on an existing target and diagnostic platform for measuring the shock propagation along a single axis. A 0.4 mm square aluminum mirror is installed in the ablator capsule which adds a second orthogonal view of the x-ray-driven shock speeds. The new technique adds capability for symmetry control along two directions of the shocks launched in the ablator by the laser-generated hohlraum x-ray flux. Laser power adjustments in four different azimuthal cones based on the results of this measurement can reduce time-dependent symmetry swings during the implosion. Analysis of a large data set provides experimental sensitivities of the shock parameters to the overall laser delivery and in some cases shows the effects of laser asymmetries on the pole and equator shock measurements.
State-to-state reaction dynamics of {sup 18}O+{sup 32}O{sub 2} studied by a time-dependent quantum wavepacket method
The title isotope exchange reaction was studied by converged time-dependent wave packet calculations, where an efficient 4th order split operator was applied to propagate the initial wave packet. State-to-state differential and integral cross sections up to the collision energy of 0.35 eV were obtained with {sup 32}O{sub 2} in the hypothetical j{sub 0} = 0 state. It is discovered that the differential cross sections are largely forward biased in the studied collision energy range, due to the fact that there is a considerable part of the reaction occurring with large impact parameter and short lifetime relative to the rotational period of the intermediate complex. The oscillations of the forward scattering amplitude as a function of collision energy, which result from coherent contribution of adjacent resonances, may be a sensitive probe for examining the quality of the underlying potential energy surface. A good agreement between the theoretical and recent experimental integral and differential cross sections at collision energy of 7.3 kcal/mol is obtained. However, the theoretical results predict slightly too much forward scattering and colder rotational distributions than the experimental observations at collision energy of 5.7 kcal/mol.
Note: A large open ratio, time, and position sensitive detector for time of flight measurements in UHV
We report on the construction of an UHV compatible 40 mm active diameter detector based on micro channel plates and assembled directly on the feed-throughs of a DN63CF flange. It is based on the charge division technique and uses a standard 2 inch Si wafer as a collector. The front end electronic is placed directly on the air side of the flange allowing excellent immunity to noise and a very good timing signal with reduced ringing. The important aberrations are corrected empirically providing an absolute positioning accuracy of 500 μm while a 150 μm resolution is measured in the center.
Possible signatures of dissipation from time-series analysis techniques using a turbulent laboratory magnetohydrodynamic plasma
The frequency spectrum of magnetic fluctuations as measured on the Swarthmore Spheromak Experiment is broadband and exhibits a nearly Kolmogorov 5/3 scaling. It features a steepening region which is indicative of dissipation of magnetic fluctuation energy similar to that observed in fluid and magnetohydrodynamic turbulence systems. Two non-spectrum based time-series analysis techniques are implemented on this data set in order to seek other possible signatures of turbulent dissipation beyond just the steepening of fluctuation spectra. Presented here are results for the flatness, permutation entropy, and statistical complexity, each of which exhibits a particular character at spectral steepening scales which can then be compared to the behavior of the frequency spectrum.
Sequential double excitations from linear-response time-dependent density functional theory
Traditional UV/vis and X-ray spectroscopies focus mainly on the study of excitations starting exclusively from electronic ground states. However there are many experiments where transitions from excited states, both absorption and emission, are probed. In this work we develop a formalism based on linear-response time-dependent density functional theory to investigate spectroscopic properties of excited states. We apply our model to study the excited-state absorption of a diplatinum(II) complex under X-rays, and transient vis/UV absorption of pyrene and azobenzene.
Perspective: Fundamental aspects of time-dependent density functional theory
In the thirty-two years since the birth of the foundational theorems, time-dependent density functional theory has had a tremendous impact on calculations of electronic spectra and dynamics in chemistry, biology, solid-state physics, and materials science. Alongside the wide-ranging applications, there has been much progress in understanding fundamental aspects of the functionals and the theory itself. This Perspective looks back to some of these developments, reports on some recent progress and current challenges for functionals, and speculates on future directions to improve the accuracy of approximations used in this relatively young theory.
Do people spend travel time the way they think they would? a comparative study of generic and trip-specific travel time allocation using hybrid multiple discrete continuous (MDC) framework
Unlike driving alone, public transportation allows one to engage in extraneous activities while traveling – often referred to as travel-based multitasking. Research involving travel-based multitasking often relies on either generic (i.e. not related to an actual trip) or revealed (i.e. related to an executed trip) data. The data collected for this study provided a unique opportunity to compare the generic and trip-specific preferences while traveling on public transportation. To this end, the study develops two integrated choice and latent variable models with multiple discrete-continuous (MDC) kernels to simultaneously model the activity selection and the time allocation for generic and trip-specific data, respectively. According to the results the trip-specific data could identify more nuances in the travel-based multitasking behavior than the generic data. Finally, the heterogeneity identified by the developed models will be helpful for the transit operators in providing appropriate facilities (e.g. internet access, reading lights) along various transit corridors.
Development of improved sensing methods and devices for stage checkout. part ii- infrared measurements in real time. volume i- design studies of a real-time infrared mea- surements system final report, phase a, jul. 1964 - jan. 1965
Infrared vidicon camera system for real time measurements of infrared radiation from electronic circuits and components
Effects of temperature and time of day on time judgments.
Effects of normal circadian body temperature on time judgments in humans
Multiple-time scales analysis of physiological time series under neural control
We discuss multiple-time scale properties of neurophysiological control mechanisms, using heart rate and gait regulation as model systems. We find that scaling exponents can be used as prognostic indicators. Furthermore, detection of more subtle degradation of scaling properties may provide a novel early warning system in subjects with a variety of pathologies including those at high risk of sudden death.
Time Parallel Algorithms for Solution of time-Dependent PDE
Parallel algorithms for solution of time-dependent partial differential equations (PDEs) are developed.
Storm time impulsive enhancements of energetic oxygen due to adiabatic acceleration of preexisting warm oxygen in the inner magnetosphere: Storm Time Impulsive Oxygen Enhancements
We examine enhancements of energetic (>50 keV) oxygen ions observed by the Radiation Belt Storm Probes Ion Composition Experiment (RBSPICE) instrument on board the Van Allen Probes spacecraft in the inner magnetosphere (L ~ 6) at 22–23 h magnetic local time (MLT) during an injection event of the 6 June 2013 storm. Simultaneous observations by two Van Allen Probes spacecraft located close together (~0.5 RE) indicate that particle injections occurred in the premidnight sector (< ~24 h MLT). We also examine the evolution of the proton and oxygen energy spectra at L ~ 6 during the injection event. The spectral slope did not significantly change during the storm. The oxygen phase space density (PSD) was shifted toward higher PSD in a wide range of the first adiabatic invariant. The spectral evolution manifests the characteristics of adiabatic acceleration and density increase of oxygen ions. Warm (0.1–10 keV) oxygen measured by the Helium, Oxygen, Proton, and Electron (HOPE) instrument was enhanced prior to the storm mostly in magnetic field-aligned directions. Finally, the most reasonable scenario of this event is that warm oxygen ions that preexisted in the inner magnetosphere were picked up and adiabatically transported and accelerated by spatially localized, temporarily impulsive electric fields.
161 Dy Time-Domain Synchrotron Mössbauer Spectroscopy for Investigating Single-Molecule Magnets Incorporating Dy Ions [ 161 Dy time-domain synchrotron Mössbauer spectroscopy as a new way forward for investigating single molecule magnets incorporating Dy ions]
Time–domain synchrotron Mössbauer spectroscopy (SMS) based on the Mössbauer effect of 161 Dy has been used to investigate the magnetic properties of a Dy III –based single–molecule magnet (SMM). The magnetic hyperfine field of [Dy(Cy 3 PO) 2 (H 2 O) 5 ]Br 3 •2 (Cy 3 PO)•2 H 2 O•2 EtOH is with B 0 =582.3(5) T significantly larger than that of the free–ion Dy III with a 6 H 15/2 ground state. This difference is attributed to the influence of the coordinating ligands on the Fermi contact interaction between the s and 4f electrons of the Dy III ion. Furthermore this study demonstrates that 161 Dy SMS is an effective local probe of the influence of the coordinating ligands on the magnetic structure of Dy–containing compounds.
Modeling Magneto‐Photoabsorption Using Time‐Dependent Complex Generalized Hartree‐Fock
Abstract Magneto‐optical spectroscopy provides a glimpse into the hidden electronic structure of molecules and materials that normally cannot be resolved with regular optical absorption spectroscopy. The magneto‐optical signal is difficult to simulate computationally due to the necessity of modeling perturbations from both uniform magnetic and oscillating electric fields. In this work, we introduce a time‐dependent complex generalized Hartree‐Fock framework for calculating electronic magneto‐optical spectra of atomic and molecular systems. Complex‐valued gauge including atomic orbitals are used in a non‐perturbative treatment of the uniform magnetic field. The magneto‐photoabsorption spectra of atomic alkalis and aromatic systems are investigated with a focus on understanding how spectroscopic signals change in the presence of a uniform magnetic field.