A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Egidi, Franco, E-mail: franco.egidi@sns.it; Segado, Mireia; Barone, Vincenzo, E-mail: vincenzo.barone@sns.it

In this work, we report a comparative study of computed excitation energies, oscillator strengths, and excited-state energy gradients of (S)-nicotine, chosen as a test case, using multireference methods, coupled cluster singles and doubles, and methods based on time-dependent density functional theory. This system was chosen because its apparent simplicity hides a complex electronic structure, as several different types of valence excitations are possible, including n-π{sup *}, π-π{sup *}, and charge-transfer states, and in order to simulate its spectrum it is necessary to describe all of them consistently well by the chosen method.

X-ray absorption fine structure and X-ray excited optical luminescence studies of II-VI semiconducting nanostructures

NASA Astrophysics Data System (ADS)

Murphy, Michael Wayne

2010-06-01

Various II-VI semiconducting nanomaterials such as ZnO-ZnS nanoribbons (NRs), CdSxSe1-x nanostructures, ZnS:Mn NRs, ZnS:Mn,Eu nanoprsims (NPs), ZnO:Mn nanopowders, and ZnO:Co nanopowders were synthesized for study. These materials were characterized by techniques such as scanning electron microscopy, transmission electron microscopy, element dispersive X-ray spectroscopy, selected area electron diffraction, and X-ray diffraction. The electronic and optical properties of these nanomaterials were studied by X-ray absorption fine structure (XAFS) spectroscopy and X-ray excited optical luminescence (XEOL) techniques, using tuneable soft X-rays from a synchrotron light source. The complementary nature ofthe XAFS and XEOL techniques give site, element and chemical specific measurements which allow a better understanding of the interplay and role of each element in the system. Chemical vapour deposition (CVD) of ZnS powder in a limited oxygen environment resulted in side-by-side biaxial ZnO-ZnS NR heterostructures. The resulting NRs contained distinct wurtzite ZnS and wurtzite ZnO components with widths of 10--100 nm and 20 --500 nm, respectively and a uniform interface region of 5-15 nm. XAFS and XEOL measurements revealed the luminescence of ZnO-ZnS NRs is from the ZnO component. The luminescence of CdSxSe1-x nanostructures is shown to be dependent on the S to Se ratio, with the band-gap emission being tunable between that of pure CdS and CdSe. Excitation of the CdSxSe 1-x nanostructures by X-ray in XEOL has revealed new de-excitation channels which show a defect emission band not seen by laser excitation. CVD of Mn2+ doped ZnS results in nanostructures with luminescence dominated by the yellow Mn2+ emission due to energy transfer from the ZnS host to the Mn dopant sites. The addition of EuCl3 to the reactants in the CVD process results in a change in morphology from NR to NP. Zn1-xMnxO and Zn1-xCOxO nanopowders were prepared by sol-gel methods at dopant concentrations

Study of Linear and Nonlinear Wave Excitation

NASA Astrophysics Data System (ADS)

Chu, Feng; Berumen, Jorge; Hood, Ryan; Mattingly, Sean; Skiff, Frederick

2013-10-01

We report an experimental study of externally excited low-frequency waves in a cylindrical, magnetized, singly-ionized Argon inductively-coupled gas discharge plasma that is weakly collisional. Wave excitation in the drift wave frequency range is accomplished by low-percentage amplitude modulation of the RF plasma source. Laser-induced fluorescence is adopted to study ion-density fluctuations in phase space. The laser is chopped to separate LIF from collisional fluorescence. A single negatively-biased Langmuir probe is used to detect ion-density fluctuations in the plasma. A ring array of Langmuir probes is also used to analyze the spatial and spectral structure of the excited waves. We apply coherent detection with respect to the wave frequency to obtain the ion distribution function associated with externally generated waves. Higher-order spectra are computed to evaluate the nonlinear coupling between fluctuations at various frequencies produced by the externally generated waves. Parametric decay of the waves is observed. This work is supported by U.S. DOE Grant No. DE-FG02-99ER54543.

Structure of Low-Lying Excited States of Guanine in DNA and Solution: Combined Molecular Mechanics and High-Level Coupled Cluster Studies

DOE PAGES

Kowalski, Karol; Valiev, Marat

2007-01-01

High-level ab-initio equation-of-motion coupled-cluster methods with singles, doubles, and noniterative triples are used, in conjunction with the combined quantum mechanical molecular mechanics approach, to investigate the structure of low-lying excited states of the guanine base in DNA and solvated environments. Our results indicate that while the excitation energy of the first excited state is barely changed compared to its gas-phase counterpart, the excitation energy of the second excited state is blue-shifted by 0.24 eV.

Electronic excitation induced amorphization in titanate pyrochlores: an ab initio molecular dynamics study

PubMed Central

Xiao, H. Y.; Weber, W. J.; Zhang, Y.; Zu, X. T.; Li, S.

2015-01-01

The response of titanate pyrochlores (A2Ti2O7, A = Y, Gd and Sm) to electronic excitation is investigated utilizing an ab initio molecular dynamics method. All the titanate pyrochlores are found to undergo a crystalline-to-amorphous structural transition under a low concentration of electronic excitations. The transition temperature at which structural amorphization starts to occur depends on the concentration of electronic excitations. During the structural transition, O2-like molecules are formed, and this anion disorder further drives cation disorder that leads to an amorphous state. This study provides new insights into the mechanisms of amorphization in titanate pyrochlores under laser, electron and ion irradiations. PMID:25660219

Electronic excitation induced amorphization in titanate pyrochlores: an ab initio molecular dynamics study.

PubMed

Xiao, H Y; Weber, W J; Zhang, Y; Zu, X T; Li, S

2015-02-09

The response of titanate pyrochlores (A2Ti2O7, A = Y, Gd and Sm) to electronic excitation is investigated utilizing an ab initio molecular dynamics method. All the titanate pyrochlores are found to undergo a crystalline-to-amorphous structural transition under a low concentration of electronic excitations. The transition temperature at which structural amorphization starts to occur depends on the concentration of electronic excitations. During the structural transition, O2-like molecules are formed, and this anion disorder further drives cation disorder that leads to an amorphous state. This study provides new insights into the mechanisms of amorphization in titanate pyrochlores under laser, electron and ion irradiations.

Structures and Binding Energies of the Naphthalene Dimer in Its Ground and Excited States.

PubMed

Dubinets, N O; Safonov, A A; Bagaturyants, A A

2016-05-05

Possible structures of the naphthalene dimer corresponding to local energy minima in the ground and excited (excimer) electronic states are comprehensively investigated using DFT-D and TDDFT-D methods with a special accent on the excimer structures. The corresponding binding and electronic transition energies are calculated, and the nature of the electronic states in different structures is analyzed. Several parallel (stacked) and T-shaped structures were found in both the ground and excited (excimer) states in a rather narrow energy range. The T-shaped structure with the lowest energy in the excited state exhibits a marked charge transfer from the upright molecule to the base one.

Structures of invisible, excited protein states by relaxation dispersion NMR spectroscopy

PubMed Central

Vallurupalli, Pramodh; Hansen, D. Flemming; Kay, Lewis E.

2008-01-01

Molecular function is often predicated on excursions between ground states and higher energy conformers that can play important roles in ligand binding, molecular recognition, enzyme catalysis, and protein folding. The tools of structural biology enable a detailed characterization of ground state structure and dynamics; however, studies of excited state conformations are more difficult because they are of low population and may exist only transiently. Here we describe an approach based on relaxation dispersion NMR spectroscopy in which structures of invisible, excited states are obtained from chemical shifts and residual anisotropic magnetic interactions. To establish the utility of the approach, we studied an exchanging protein (Abp1p SH3 domain)–ligand (Ark1p peptide) system, in which the peptide is added in only small amounts so that the ligand-bound form is invisible. From a collection of 15N, 1HN, 13Cα, and 13CO chemical shifts, along with 1HN-15N, 1Hα-13Cα, and 1HN-13CO residual dipolar couplings and 13CO residual chemical shift anisotropies, all pertaining to the invisible, bound conformer, the structure of the bound state is determined. The structure so obtained is cross-validated by comparison with 1HN-15N residual dipolar couplings recorded in a second alignment medium. The methodology described opens up the possibility for detailed structural studies of invisible protein conformers at a level of detail that has heretofore been restricted to applications involving visible ground states of proteins. PMID:18701719

The molecular and electronic structure of s-tetrazine in the ground and first excited state: A theoretical investigation

NASA Astrophysics Data System (ADS)

Schütz, Martin; Hutter, Jürg; Lüthi, Hans Peter

1995-10-01

The ground- and first excited state of s-tetrazine arising from a π*←n excitation (1Ag,1B3u) have been studied using the complete active space (CASSCF) and the second order multiconfiguration perturbation theory (CASPT2) ab initio methods. The focus of this study is on the effect of the electronic excitation on the molecular structure and on those electronic properties which are important to model the solvatochromatic behavior of the molecule in polymer matrices as used in permanent hole burning experiments. Since the accurate computation of excited state molecular properties represents a major challenge for today's numerical quantum chemistry, some technical aspects are also considered. The present study shows that the change in geometry upon electronic excitation is small. This is in partial contradiction with the experimental studies which however disagree among themselves [see K. K. Innes, I. G. Ross, and W. R. Moomaw, J. Mol. Spectrosc. 132, 492 (1988), and R. E. Smalley, L. Wharton, and D. H. Levi, ibid. 66, 375 (1977)]. This study also confirms that the first excited state equilibrium structure is of D2h symmetry. In an earlier theoretical study it was found that the D2h symmetry structure may represent a saddle point rather than a minimum on the excited state potential surface [see A. C. Scheiner and H. F. Schaefer III, J. Chem. Phys. 87, 3539 (1987)]. In the first excited state, we observe an increase of the mean polarizability of s-tetrazine along with an enhanced anisotropy. The change in the polarizability is almost exclusively in the ``in-plane'' components of the tensor; the polarizability in the vertical direction is nearly unchanged. This observation questions recent experimental results reported for this molecule [see S. Heitz, D. Weidnauer, and A. Hese, J. Chem. Phys. 95, 7952 (1991)].

Excited State Structural Dynamics of Carotenoids and ChargeTransfer Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Tassle, Aaron Justin

This dissertation describes the development andimplementation of a visible/near infrared pump/mid-infrared probeapparatus. Chapter 1 describes the background and motivation ofinvestigating optically induced structural dynamics, paying specificattention to solvation and the excitation selection rules of highlysymmetric molecules such as carotenoids. Chapter 2 describes thedevelopment and construction of the experimental apparatus usedthroughout the remainder of this dissertation. Chapter 3 will discuss theinvestigation of DCM, a laser dye with a fluorescence signal resultingfrom a charge transfer state. By studying the dynamics of DCM and of itsmethyl deuterated isotopomer (an otherwise identical molecule), we areable to investigate the origins of the charge transfer statemore » and provideevidence that it is of the controversial twisted intramolecular (TICT)type. Chapter 4 introduces the use of two-photon excitation to the S1state, combined with one-photon excitation to the S2 state of thecarotenoid beta-apo-8'-carotenal. These 2 investigations show evidencefor the formation of solitons, previously unobserved in molecular systemsand found only in conducting polymers Chapter 5 presents an investigationof the excited state dynamics of peridinin, the carotenoid responsiblefor the light harvesting of dinoflagellates. This investigation allowsfor a more detailed understanding of the importance of structuraldynamics of carotenoids in light harvesting.« less

Spectroscopic Diagnosis of Excited-State Aromaticity: Capturing Electronic Structures and Conformations upon Aromaticity Reversal.

PubMed

Oh, Juwon; Sung, Young Mo; Hong, Yongseok; Kim, Dongho

2018-03-06

Aromaticity, the special energetic stability derived from cyclic [4 n + 2]π-conjugated electronic structures, has been the topic of intense interest in chemistry because it plays a critical role in rationalizing molecular stability, reactivity, and physical/chemical properties. Recently, the pioneering work by Colin Baird on aromaticity reversal, postulating that aromatic (antiaromatic) character in the ground state reverses to antiaromatic (aromatic) character in the lowest excited triplet state, has attracted much scientific attention. The completely reversed aromaticity in the excited state provides direct insight into understanding the photophysical/chemical properties of photoactive materials. In turn, the application of aromatic molecules to photoactive materials has led to numerous studies revealing this aromaticity reversal. However, most studies of excited-state aromaticity have been based on the theoretical point of view. The experimental evaluation of aromaticity in the excited state is still challenging and strenuous because the assessment of (anti)aromaticity with conventional magnetic, energetic, and geometric indices is difficult in the excited state, which practically restricts the extension and application of the concept of excited-state aromaticity. Time-resolved optical spectroscopies can provide a new and alternative avenue to evaluate excited-state aromaticity experimentally while observing changes in the molecular features in the excited states. Time-resolved optical spectroscopies take advantage of ultrafast laser pulses to achieve high time resolution, making them suitable for monitoring ultrafast changes in the excited states of molecular systems. This can provide valuable information for understanding the aromaticity reversal. This Account presents recent breakthroughs in the experimental assessment of excited-state aromaticity and the verification of aromaticity reversal with time-resolved optical spectroscopic measurements. To

Relativistic atomic structure calculations and electron impact excitations of Fe23+

NASA Astrophysics Data System (ADS)

El-Maaref, A. A.

2016-02-01

Relativistic calculations using the multiconfiguration Dirac-Fock method for energy levels, oscillator strengths, and electronic dipole transition probabilities of Li-like iron (Fe23+) are presented. A configuration state list with the quantum numbers nl, where n = 2 - 7 and l = s , p , d , f , g , h , i has been considered. Excitations up to three electrons and correlation contributions from higher orbitals up to 7 l have been included. Contributions from core levels have been taken into account, EOL (extended optimal level) type calculations have been applied, and doubly excited levels are considered. The calculations have been executed by using the fully relativistic atomic structure package GRASP2K. The present calculations have been compared with the available experimental and theoretical sources, the comparisons show a good agreement between the present results of energy levels and oscillator strengths with the literature. In the second part of the present study, the atomic data (energy levels, and radiative parameters) have been used to calculate the excitation and deexcitation rates of allowed transitions by electron impact, as well as the population densities of some excited levels at different electron temperatures.

Two-component Structure in the Entanglement Spectrum of Highly Excited States

NASA Astrophysics Data System (ADS)

Yang, Zhi-Cheng; Chamon, Claudio; Hamma, Alioscia; Mucciolo, Eduardo

We study the entanglement spectrum of highly excited eigenstates of two known models which exhibit a many-body localization transition, namely the one-dimensional random-field Heisenberg model and the quantum random energy model. Our results indicate that the entanglement spectrum shows a ``two-component'' structure: a universal part that is associated to Random Matrix Theory, and a non-universal part that is model dependent. The non-universal part manifests the deviation of the highly excited eigenstate from a true random state even in the thermalized phase where the Eigenstate Thermalization Hypothesis holds. The fraction of the spectrum containing the universal part decreases continuously as one approaches the critical point and vanishes in the localized phase in the thermodynamic limit. We use the universal part fraction to construct a new order parameter for the many-body delocalized-to-localized transition. Two toy models based on Rokhsar-Kivelson type wavefunctions are constructed and their entanglement spectra are shown to exhibit the same structure.

Theoretical studies of electronically excited states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Besley, Nicholas A.

2014-10-06

Time-dependent density functional theory is the most widely used quantum chemical method for studying molecules in electronically excited states. However, excited states can also be computed within Kohn-Sham density functional theory by exploiting methods that converge the self-consistent field equations to give excited state solutions. The usefulness of single reference self-consistent field based approaches for studying excited states is demonstrated by considering the calculation of several types of spectroscopy including the infrared spectroscopy of molecules in an electronically excited state, the rovibrational spectrum of the NO-Ar complex, core electron binding energies and the emission spectroscopy of BODIPY in water.

Study of P -wave excitations of observed charmed strange baryons

NASA Astrophysics Data System (ADS)

Ye, Dan-Dan; Zhao, Ze; Zhang, Ailin

2017-12-01

Many excited charmed strange baryons such as Ξc(2790 ), Ξc(2815 ), Ξc(2930 ), Ξc(2980 ), Ξc(3055 ), Ξc(3080 ), and Ξc(3123 ) have been observed. In order to understand their internal structure and to determine their spin parities, the strong decay properties of these baryons as possible P -wave excited Ξc candidates have been systematically studied in a 3P0 model. The configurations and JP assignments of Ξc(2790 ), Ξc(2815 ), Ξc(2930 ), Ξc(2980 ), Ξc(3055 ), Ξc(3080 ), and Ξc(3123 ) have been explored based on recent experimental data. In our analyses, Ξc(3055 ), Ξc(3080 ), and Ξc(3123 ) seem impossible to be the P -wave excited Ξc. Ξc(2790 ), Ξc(2815 ), Ξc(2930 ), and Ξc(2980 ) may be the P -wave excited Ξc. In particular, Ξc(2790 ) and Ξc(2815 ) are very possibly the P -wave excited Ξc 1(1 /2-) and Ξc 1(3 /2-), respectively. Ξc(2980 ) may be the P -wave excited Ξc1 '(1/2-). Ξc(2930 ) may be the P -wave Ξc0 '(1/2-) , Ξ˜c 0(1/2-), Ξc2 '(3/2-), Ξc2 '(5/2-), Ξ˜c 2(3/2-), or Ξ˜c 2(5/2-). Furthermore, some branching fraction ratios related to the internal structure and quark configuration of P -wave Ξc have also been computed. Measurements of these ratios in the future will be helpful to understand these excited Ξc.

Energy, fine structure, hyperfine structure, and radiative transition rates of the high-lying multi-excited states for B-like neon

NASA Astrophysics Data System (ADS)

Zhang, Chun Mei; Chen, Chao; Sun, Yan; Gou, Bing Cong; Shao, Bin

2015-04-01

The Rayleigh-Ritz variational method with multiconfiguration interaction wave functions is used to obtain the energies of high-lying multi-excited quartet states 1 s 22 s2 pnl and 1 s 22 p 2 nl 4Pe,o ( n ≥ 2) in B-like neon, including the mass polarization and relativistic corrections. The fine structure and hyperfine structure of the excited quartet states for this system are investigated. Configuration structures of the high-lying multi-excited series are further identified by relativistic corrections and fine structure splittings. The transition rates and wavelengths are also calculated. Calculated wavelengths include the quantum electrodynamic effects. The results are compared with other theoretical and experimental data in the literature.

Collisional excitation of CH2 rotational/fine-structure levels by helium

NASA Astrophysics Data System (ADS)

Dagdigian, P. J.; Lique, F.

2018-02-01

Accurate determination of the abundance of CH2 in interstellar media relies on both radiative and collisional rate coefficients. We investigate here the rotational/fine-structure excitation of CH2 induced by collisions with He. We employ a recoupling technique to generate fine-structure-resolved cross-sections and rate coefficients from close coupling spin-free scattering calculations. The calculations are based on a recent, high-accuracy CH2-He potential energy surface computed at the coupled clusters level of theory. The collisional cross-section calculations are performed for all fine-structure transitions among the first 22 and 24 energy levels of ortho- and para-CH2, respectively, and for temperatures up to 300 K. As a first application, we simulate the excitation of CH2 in typical molecular clouds. The excitation temperatures of the CH2 lines are found to be small at typical densities of molecular clouds, showing that the non-local thermodynamic equilibrium approach has to be used to analyse interstellar spectra. We also found that the fine-structure lines connected with the 404 - 313 and 505 - 414 rotational transitions show possible maser emissions so that they can be easily seen in emission. These calculations show that CH2 may have to be detected mainly through absorption spectra.

The Impact of Structural Heterogeneity on Excitation-Inhibition Balance in Cortical Networks.

PubMed

Landau, Itamar D; Egger, Robert; Dercksen, Vincent J; Oberlaender, Marcel; Sompolinsky, Haim

2016-12-07

Models of cortical dynamics often assume a homogeneous connectivity structure. However, we show that heterogeneous input connectivity can prevent the dynamic balance between excitation and inhibition, a hallmark of cortical dynamics, and yield unrealistically sparse and temporally regular firing. Anatomically based estimates of the connectivity of layer 4 (L4) rat barrel cortex and numerical simulations of this circuit indicate that the local network possesses substantial heterogeneity in input connectivity, sufficient to disrupt excitation-inhibition balance. We show that homeostatic plasticity in inhibitory synapses can align the functional connectivity to compensate for structural heterogeneity. Alternatively, spike-frequency adaptation can give rise to a novel state in which local firing rates adjust dynamically so that adaptation currents and synaptic inputs are balanced. This theory is supported by simulations of L4 barrel cortex during spontaneous and stimulus-evoked conditions. Our study shows how synaptic and cellular mechanisms yield fluctuation-driven dynamics despite structural heterogeneity in cortical circuits. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

Fine-structure-resolution for Rovibrational Excitation of CN Due to H2

NASA Astrophysics Data System (ADS)

Byrd, Nat; Yang, Benhui H.; Stancil, Phillip C.

2018-06-01

Diatomic molecules can be readily excited in interstellar environments exposed to intense UV radiation, such as the inner rim of a protoplanetary disk. Non-thermal populations of excited rovibrational levels can result, for example, following decay from electronically excited states to the electronic ground state. Competition between radiative decay and collisional processes, mostly due to H2, determine the resulting rovibrational emission spectrum. For CN, and other open-shell molecules, the resulting spectrum will be complicated due to fine-structure splitting of the rotational levels. In some cases, fine-structure resolution has been previously computed for rotational transitions in atom- or diatom-diatom collisional processes. Here we present the first fine-structure resolution for vibrational deexcitation for CN colliding with H2. The collisional cross sections were computed using a 6D potential energy surface with a full close-coupling approach. Fine-structure resolution is obtained by adopting an angular momentum recoupling scheme to transform the scattering matrices to a recoupled basis. Here we present low-energy calculations for the v=1 to 0 transition.This work was supported by NASA Grant NNX16AF09G.

Excitation mechanism of surface plasmon polaritons in a double-layer wire grid structure

NASA Astrophysics Data System (ADS)

Motogaito, Atsushi; Nakajima, Tomoyasu; Miyake, Hideto; Hiramatsu, Kazumasa

2017-12-01

We characterize the optical properties of a double-layer wire grid structure and investigate in detail the excitation mechanism of surface plasmon polaritons (SPPs). Angular spectra for the transmittance of the transverse magnetic polarized light that are obtained through the experiment reveal two peaks. In addition, simulated mapping of the transmittance and the magnetic field distribution indicate that SPPs are excited in two areas of the wire grid structures: at the interface between the Au layer and the resist layer or the glass substrate and at the interface between the Au layer and air. The experimental data are consistent with the transmittance mapping result and the distribution of the magnetic field. Accordingly, we constructed a model of SPPs propagation. We consider that SPPs excited at the interface between the Au layer and the resist layer or the glass substrate strongly contribute to the extraordinary transmission observed in the wire grid structures.

Theoretical studies of ground and excited electronic States in a series of rhenium(i) bipyridine complexes containing diarylethynyl-based structure.

PubMed

Yang, Li; Ren, Ai-Min; Feng, Ji-Kang; Liu, Xiao-Dong; Ma, Yu-Guang; Zhang, Hong-Xing

2004-09-20

The photophysical properties, which vary as X is varied, of Re(I)-halide complexes (X2-bpy)ReICl(CO)3 (where X=ph, DAE, DNE, and DPE; ph = phenyl (1); DAE = di(amineoethynylbenzene) (2); DPE = di(phenylethynylbenzene) (3); DNE = di(nitroethynylbenzene) (4); bpy=2,2'bipyridine), are investigated using density functional theory (DFT). The electronic properties of the neutral molecules, in addition to the positive and negative ions, are studied using B3LYP functional. Excited singlet and triplet states are examined using time-dependent density functional theory (TDDFT). The low-lying excited-state geometries are optimized at the ab initio configuration interaction singlets level. As shown, the diarylethynyl-based structure is an integral component of the bpy pi-conjugated network, which results in a good planar structure. The occupied orbitals involved in the transitions have a significant mixture of metal Re and group Cl, and the lowest unoccupied orbital is a pi orbital, which extends from ligand bpy to diarylethynyl-based substituents. The luminescence for each complex originates from the lowest triplet excited states and is assigned to the mixing of MLCT and LLCT characters. Significant insights on the effects of these diarylethynyl conjugated structure and ending substituents (NH2, ph, and NO2) on absorption and emission spectra are observed by analysis of the results of the TDDFT method. The diarylethynyl-based pi-conjugated network makes both the absorption and emission spectra red-shifted compared with simple complex (bpy)ReICl(CO)3. Furthermore, an electron-releasing group (NH2) makes absorption and emission spectra blue-shift and an electron-withdrawing group (NO2) makes them red-shift. Copyright 2004 American Chemical Society

Parametric and Non-Parametric Vibration-Based Structural Identification Under Earthquake Excitation

NASA Astrophysics Data System (ADS)

Pentaris, Fragkiskos P.; Fouskitakis, George N.

2014-05-01

The problem of modal identification in civil structures is of crucial importance, and thus has been receiving increasing attention in recent years. Vibration-based methods are quite promising as they are capable of identifying the structure's global characteristics, they are relatively easy to implement and they tend to be time effective and less expensive than most alternatives [1]. This paper focuses on the off-line structural/modal identification of civil (concrete) structures subjected to low-level earthquake excitations, under which, they remain within their linear operating regime. Earthquakes and their details are recorded and provided by the seismological network of Crete [2], which 'monitors' the broad region of south Hellenic arc, an active seismic region which functions as a natural laboratory for earthquake engineering of this kind. A sufficient number of seismic events are analyzed in order to reveal the modal characteristics of the structures under study, that consist of the two concrete buildings of the School of Applied Sciences, Technological Education Institute of Crete, located in Chania, Crete, Hellas. Both buildings are equipped with high-sensitivity and accuracy seismographs - providing acceleration measurements - established at the basement (structure's foundation) presently considered as the ground's acceleration (excitation) and at all levels (ground floor, 1st floor, 2nd floor and terrace). Further details regarding the instrumentation setup and data acquisition may be found in [3]. The present study invokes stochastic, both non-parametric (frequency-based) and parametric methods for structural/modal identification (natural frequencies and/or damping ratios). Non-parametric methods include Welch-based spectrum and Frequency response Function (FrF) estimation, while parametric methods, include AutoRegressive (AR), AutoRegressive with eXogeneous input (ARX) and Autoregressive Moving-Average with eXogeneous input (ARMAX) models[4, 5

Magnetic structures and excitations in CePd2(Al,Ga)2 series: Development of the "vibron" states

NASA Astrophysics Data System (ADS)

Klicpera, M.; Boehm, M.; Doležal, P.; Mutka, H.; Koza, M. M.; Rols, S.; Adroja, D. T.; Puente Orench, I.; Rodríguez-Carvajal, J.; Javorský, P.

2017-02-01

CePd2Al2 -xGax compounds crystallizing in the tetragonal CaBe2Ge2 -type structure (space group P 4 /n m m ) and undergoing a structural phase transition to an orthorhombic structure (C m m e ) at low temperatures were studied by means of neutron scattering. The amplitude-modulated magnetic structure of CePd2Al2 is described by an incommensurate propagation vector k ⃗=(δx,1/2 +δy,0 ) with δx=0.06 and δy=0.04 . The magnetic moments order antiferromagnetically within the a b planes stacked along the c axis and are arranged along the direction close to the orthorhombic a axis with a maximum value of 1.5(1) μB/Ce3 +. CePd2Ga2 reveals a magnetic structure composed of two components: the first is described by the propagation vector k1⃗=(1/2 ,1/2 ,0 ) , and the second one propagates with k2⃗=(0 ,1/2 ,0 ) . The magnetic moments of both components are aligned along the same direction—the orthorhombic [100] direction—and their total amplitude varies depending on the mutual phase of magnetic moment components on each Ce site. The propagation vectors k1⃗ and k2⃗ describe also the magnetic structure of substituted CePd2Al2 -xGax compounds, except the one with x =0.1 .CePd2Al1.9Ga0.1 with magnetic structure described by k ⃗ and k1⃗ stays on the border between pure CePd2Al2 and the rest of the series. Determined magnetic structures are compared with other Ce 112 compounds. Inelastic neutron scattering experiments disclosed three nondispersive magnetic excitations in the paramagnetic state of CePd2Al2 , while only two crystal field (CF) excitations are expected from the splitting of ground state J =5/2 of the Ce3 + ion in a tetragonal/orthorhombic point symmetry. Three magnetic excitations at 1.4, 7.8, and 15.9 meV are observed in the tetragonal phase of CePd2Al2 . A structural phase transition to an orthorhombic structure shifts the first excitation up to 3.7 meV, while the other two excitations remain at almost the same energy. The presence of an additional

Magnetic structure and spin excitations in BaMn 2Bi 2

DOE PAGES

Calder, Stuart A.; Saparov, Bayrammurad I; Cao, H. B.; ...

2014-02-19

We present a single crystal neutron scattering study of BaMn 2Bi 2, a recently synthesized material with the same ThCr 2Si 2type structure found in several Fe-based unconventional superconducting materials. We show long range magnetic order, in the form of a G-type antiferromagnetic structure, to exist up to 390 K with an indication of a structural transition at 100 K. Utilizing inelastic neutron scattering we observe a spin-gap of 16 meV, with spin-waves extending up to 55 meV. We find these magnetic excitations are well fit to a J 1-J 2-J c Heisenberg model and present values for the exchangemore » interactions. The spin wave spectrum appears to be unchanged by the 100 K structural phase transition.« less

Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics

NASA Astrophysics Data System (ADS)

Neville, Simon P.; Averbukh, Vitali; Ruberti, Marco; Yun, Renjie; Patchkovskii, Serguei; Chergui, Majed; Stolow, Albert; Schuurman, Michael S.

2016-10-01

We investigate the sensitivity of X-ray absorption spectra, simulated using a general method, to properties of molecular excited states. Recently, Averbukh and co-workers [M. Ruberti et al., J. Chem. Phys. 140, 184107 (2014)] introduced an efficient and accurate L 2 method for the calculation of excited state valence photoionization cross-sections based on the application of Stieltjes imaging to the Lanczos pseudo-spectrum of the algebraic diagrammatic construction (ADC) representation of the electronic Hamiltonian. In this paper, we report an extension of this method to the calculation of excited state core photoionization cross-sections. We demonstrate that, at the ADC(2)x level of theory, ground state X-ray absorption spectra may be accurately reproduced, validating the method. Significantly, the calculated X-ray absorption spectra of the excited states are found to be sensitive to both geometric distortions (structural dynamics) and the electronic character (electronic dynamics) of the initial state, suggesting that core excitation spectroscopies will be useful probes of excited state non-adiabatic dynamics. We anticipate that the method presented here can be combined with ab initio molecular dynamics calculations to simulate the time-resolved X-ray spectroscopy of excited state molecular wavepacket dynamics.

Single-particle excitations in the level structure of 64Cu

NASA Astrophysics Data System (ADS)

Samanta, S.; Das, S.; Bhattacharjee, R.; Chatterjee, S.; Raut, R.; Ghugre, S. S.; Sinha, A. K.; Garg, U.; Neelam, Kumar, N.; Jones, P.; Laskar, Md. Sazedur R.; Babra, F. S.; Biswas, S.; Saha, S.; Singh, P.; Palit, R.

2018-01-01

Excited states of the 64Cu(Z =29 ,N =35 ) nucleus have been probed using heavy-ion-induced fusion evaporation reaction and an array of Compton-suppressed Clovers as detection system for the emitted γ rays. More than 50 new transitions have been identified and the level scheme of the nucleus has been established up to an excitation energy Ex˜6 MeV and spin ˜10 ℏ . The experimental results have been compared with those from large-basis shell-model calculations that facilitated an understanding of the single-particle configurations underlying the level structure of the nucleus.

Mobility power flow analysis of an L-shaped plate structure subjected to acoustic excitation

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1989-01-01

An analytical investigation based on the Mobility Power Flow method is presented for the determination of the vibrational response and power flow for two coupled flat plate structures in an L-shaped configuration, subjected to acoustical excitation. The principle of the mobility power flow method consists of dividing the global structure into a series of subsystems coupled together using mobility functions. Each separate subsystem is analyzed independently to determine the structural mobility functions for the junction and excitation locations. The mobility functions, together with the characteristics of the junction between the subsystems, are then used to determine the response of the global structure and the power flow. In the coupled plate structure considered here, mobility power flow expressions are derived for excitation by an incident acoustic plane wave. In this case, the forces (acoustic pressures) acting on the structure are dependent on the response of the structure because of the scattered pressure component. The interaction between the structure and the fluid leads to the derivation of a corrected mode shape for the plates' normal surface velocity and also for the structure mobility functions. The determination of the scattered pressure components in the expressions for the power flow represents an additional component in the power flow balance for the source plate and the receiver plate. This component represents the radiated acoustical power from the plate structure.

Phase space interrogation of the empirical response modes for seismically excited structures

NASA Astrophysics Data System (ADS)

Paul, Bibhas; George, Riya C.; Mishra, Sudib K.

2017-07-01

Conventional Phase Space Interrogation (PSI) for structural damage assessment relies on exciting the structure with low dimensional chaotic waveform, thereby, significantly limiting their applicability to large structures. The PSI technique is presently extended for structure subjected to seismic excitations. The high dimensionality of the phase space for seismic response(s) are overcome by the Empirical Mode Decomposition (EMD), decomposing the responses to a number of intrinsic low dimensional oscillatory modes, referred as Intrinsic Mode Functions (IMFs). Along with their low dimensionality, a few IMFs, retain sufficient information of the system dynamics to reflect the damage induced changes. The mutually conflicting nature of low-dimensionality and the sufficiency of dynamic information are taken care by the optimal choice of the IMF(s), which is shown to be the third/fourth IMFs. The optimal IMF(s) are employed for the reconstruction of the Phase space attractor following Taken's embedding theorem. The widely referred Changes in Phase Space Topology (CPST) feature is then employed on these Phase portrait(s) to derive the damage sensitive feature, referred as the CPST of the IMFs (CPST-IMF). The legitimacy of the CPST-IMF is established as a damage sensitive feature by assessing its variation with a number of damage scenarios benchmarked in the IASC-ASCE building. The damage localization capability, remarkable tolerance to noise contamination and the robustness under different seismic excitations of the feature are demonstrated.

Nonlinear structured-illumination enhanced temporal focusing multiphoton excitation microscopy with a digital micromirror device.

PubMed

Cheng, Li-Chung; Lien, Chi-Hsiang; Da Sie, Yong; Hu, Yvonne Yuling; Lin, Chun-Yu; Chien, Fan-Ching; Xu, Chris; Dong, Chen Yuan; Chen, Shean-Jen

2014-08-01

In this study, the light diffraction of temporal focusing multiphoton excitation microscopy (TFMPEM) and the excitation patterning of nonlinear structured-illumination microscopy (NSIM) can be simultaneously and accurately implemented via a single high-resolution digital micromirror device. The lateral and axial spatial resolutions of the TFMPEM are remarkably improved through the second-order NSIM and projected structured light, respectively. The experimental results demonstrate that the lateral and axial resolutions are enhanced from 397 nm to 168 nm (2.4-fold) and from 2.33 μm to 1.22 μm (1.9-fold), respectively, in full width at the half maximum. Furthermore, a three-dimensionally rendered image of a cytoskeleton cell featuring ~25 nm microtubules is improved, with other microtubules at a distance near the lateral resolution of 168 nm also able to be distinguished.

Nonlinear structured-illumination enhanced temporal focusing multiphoton excitation microscopy with a digital micromirror device

PubMed Central

Cheng, Li-Chung; Lien, Chi-Hsiang; Da Sie, Yong; Hu, Yvonne Yuling; Lin, Chun-Yu; Chien, Fan-Ching; Xu, Chris; Dong, Chen Yuan; Chen, Shean-Jen

2014-01-01

In this study, the light diffraction of temporal focusing multiphoton excitation microscopy (TFMPEM) and the excitation patterning of nonlinear structured-illumination microscopy (NSIM) can be simultaneously and accurately implemented via a single high-resolution digital micromirror device. The lateral and axial spatial resolutions of the TFMPEM are remarkably improved through the second-order NSIM and projected structured light, respectively. The experimental results demonstrate that the lateral and axial resolutions are enhanced from 397 nm to 168 nm (2.4-fold) and from 2.33 μm to 1.22 μm (1.9-fold), respectively, in full width at the half maximum. Furthermore, a three-dimensionally rendered image of a cytoskeleton cell featuring ~25 nm microtubules is improved, with other microtubules at a distance near the lateral resolution of 168 nm also able to be distinguished. PMID:25136483

A theoretical and experimental benchmark study of core-excited states in nitrogen

NASA Astrophysics Data System (ADS)

Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan; Nandi, Saikat; Coriani, Sonia; Gühr, Markus; Koch, Henrik

2018-02-01

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. The computational results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.

Coherent Terahertz Radiation from Multiple Electron Beams Excitation within a Plasmonic Crystal-like structure.

PubMed

Zhang, Yaxin; Zhou, Yucong; Gang, Yin; Jiang, Guili; Yang, Ziqiang

2017-01-23

Coherent terahertz radiation from multiple electron beams excitation within a plasmonic crystal-like structure (a three-dimensional holes array) which is composed of multiple stacked layers with 3 × 3 subwavelength holes array has been proposed in this paper. It has been found that in the structure the electromagnetic fields in each hole can be coupled with one another to construct a composite mode with strong field intensity. Therefore, the multiple electron beams injection can excite and efficiently interact with such mode. Meanwhile, the coupling among the electron beams is taken place during the interaction so that a very strong coherent terahertz radiation with high electron conversion efficiency can be generated. Furthermore, due to the coupling, the starting current density of this mechanism is much lower than that of traditional electron beam-driven terahertz sources. This multi-beam radiation system may provide a favorable way to combine photonics structure with electronics excitation to generate middle, high power terahertz radiation.

Coherent Terahertz Radiation from Multiple Electron Beams Excitation within a Plasmonic Crystal-like structure

PubMed Central

Zhang, Yaxin; Zhou, Yucong; Gang, Yin; Jiang, Guili; Yang, Ziqiang

2017-01-01

Coherent terahertz radiation from multiple electron beams excitation within a plasmonic crystal-like structure (a three-dimensional holes array) which is composed of multiple stacked layers with 3 × 3 subwavelength holes array has been proposed in this paper. It has been found that in the structure the electromagnetic fields in each hole can be coupled with one another to construct a composite mode with strong field intensity. Therefore, the multiple electron beams injection can excite and efficiently interact with such mode. Meanwhile, the coupling among the electron beams is taken place during the interaction so that a very strong coherent terahertz radiation with high electron conversion efficiency can be generated. Furthermore, due to the coupling, the starting current density of this mechanism is much lower than that of traditional electron beam-driven terahertz sources. This multi-beam radiation system may provide a favorable way to combine photonics structure with electronics excitation to generate middle, high power terahertz radiation. PMID:28112234

Detailed study of the structure of the low-energy magnetic excitations in overdoped La1.75Sr0.25CuO4

NASA Astrophysics Data System (ADS)

Ikeuchi, Kazuhiko; Kikuchi, Tatsuya; Nakajima, Kenji; Kajimoto, Ryoichi; Wakimoto, Shuichi; Fujita, Masaki

2018-05-01

To examine the detailed structure of low-energy magnetic excitations in a high-transition-temperature superconducting cuprate with heavily hole-doping, we performed inelastic neutron scattering experiments on La1.75Sr0.25CuO4. We observed clear dispersion relations of the previously reported incommensurate (IC) magnetic correlations at Qtet = (0.5 ± δ , 0.5) / (0.5 , 0.5 ± δ) [1]. In addition, we show the emergence of continuum magnetic excitations with a ring shape centered at Γ point Qtet = (0.5 , 0.5) in a constant energy spectrum at T = 50 K . The radius of the ring (r = 0.109) is smaller than the incommensurability (δ = 0.118) . This suggests that the origin of the ring-like excitations is different from that of the IC magnetic correlations, and the low-energy magnetic excitations of the La2-xSrxCuO4 system are inherently composed of these two kinds of excitations.

A theoretical and experimental benchmark study of core-excited states in nitrogen

DOE PAGES

Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan; ...

2018-02-14

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. In conclusion, the computationalmore » results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.« less

A theoretical and experimental benchmark study of core-excited states in nitrogen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. In conclusion, the computationalmore » results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.« less

THE STRUCTURE OF SPIRAL SHOCKS EXCITED BY PLANETARY-MASS COMPANIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Zhaohuan; Stone, James M.; Rafikov, Roman R.

2015-11-10

Direct imaging observations have revealed spiral structures in protoplanetary disks. Previous studies have suggested that planet-induced spiral arms cannot explain some of these spiral patterns, due to the large pitch angle and high contrast of the spiral arms in observations. We have carried out three-dimensional (3D) hydrodynamical simulations to study spiral wakes/shocks excited by young planets. We find that, in contrast with linear theory, the pitch angle of spiral arms does depend on the planet mass, which can be explained by the nonlinear density wave theory. A secondary (or even a tertiary) spiral arm, especially for inner arms, is alsomore » excited by a massive planet. With a more massive planet in the disk, the excited spiral arms have larger pitch angle and the separation between the primary and secondary arms in the azimuthal direction is also larger. We also find that although the arms in the outer disk do not exhibit much vertical motion, the inner arms have significant vertical motion, which boosts the density perturbation at the disk atmosphere. Combining hydrodynamical models with Monte-Carlo radiative transfer calculations, we find that the inner spiral arms are considerably more prominent in synthetic near-IR images using full 3D hydrodynamical models than images based on two-dimensional models assuming vertical hydrostatic equilibrium, indicating the need to model observations with full 3D hydrodynamics. Overall, companion-induced spiral arms not only pinpoint the companion’s position but also provide three independent ways (pitch angle, separation between two arms, and contrast of arms) to constrain the companion’s mass.« less

Variational study on the vibrational level structure and vibrational level mixing of highly vibrationally excited S₀ D₂CO.

PubMed

Rashev, Svetoslav; Moule, David C; Rashev, Vladimir

2012-11-01

We perform converged high precision variational calculations to determine the frequencies of a large number of vibrational levels in S(0) D(2)CO, extending from low to very high excess vibrational energies. For the calculations we use our specific vibrational method (recently employed for studies on H(2)CO), consisting of a combination of a search/selection algorithm and a Lanczos iteration procedure. Using the same method we perform large scale converged calculations on the vibrational level spectral structure and fragmentation at selected highly excited overtone states, up to excess vibrational energies of ∼17,000 cm(-1), in order to study the characteristics of intramolecular vibrational redistribution (IVR), vibrational level density and mode selectivity. Copyright © 2012 Elsevier B.V. All rights reserved.

On the glitches in the force transmitted by an electrodynamic exciter to a structure

NASA Technical Reports Server (NTRS)

Rao, Dantam K.

1987-01-01

Around resonance, the force transmitted by an exciter into a structure will be smaller or greater than a reference force generated by its coils due to electromechanical interaction. A simple analysis is presented which reveals how this phenomenon of force drop-off is controlled by three factors. The first factor, called Armature Mass Factor, describes a purely mechanical interaction between the structure and the exciter. The electromechanical energy conversion and its interaction with the structure yields two additional factors, called Electrical Resistance and Electrical Inductance Factors. They describe the effects of coil resistance, inductance and magnetic field strength relative to structural damping and stiffness. Present analysis indicates that, under proper circumstances, more than 90 percent of the force drop-off can be eliminated if armature-to-structure mass ratio is smaller or equal to half of modal loss factor.

Theoretical Study of Tautomerization Reactions for the Ground and First Excited Electronic States of Adenine

NASA Technical Reports Server (NTRS)

Salter, Latasha M.; Chaban, Galina M.; Kwak, Dochan (Technical Monitor)

2002-01-01

Geometrical structures and energetic properties for different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest singlet excited state potential energy surfaces are studied. Four tautomeric forms are considered, and their energetic order is found to be different on the ground and the excited state potential energy surfaces. Minimum energy reaction paths are obtained for hydrogen atom transfer (tautomerization) reactions in the ground and the lowest excited electronic states. It is found that the barrier heights and the shapes of the reaction paths are different for the ground and the excited electronic states, suggesting that the probability of such tautomerization reaction is higher on the excited state potential energy surface. This tautomerization process should become possible in the presence of water or other polar solvent molecules and should play an important role in the photochemistry of adenine.

A Study of Power Systems Stability Enhancement Effects by Excitation Control of Superconducting Generator with High Response Excitation based on Detailed Excitation Circuit Model

NASA Astrophysics Data System (ADS)

Wu, Guohong; Shirato, Hideyuki

SCG (Superconducting Generator) has a superconducting field winding, which leads to many advantages such as small size, high generation efficiency, low impedance, and so on, and be considered as one of the candidates to meet the needs of high stability and high efficiency in the future power system networks. SCG with high response excitation is especially expected to be able to enhance the transient stability of power system by its SMES (Superconducting Magnetic Energy System) effect. The SMES effect of SCG is recognized that its behaviors are dominated by the structures and controls of its excitation system. For this reason, in order to verify exactly how the SMES effect of SCG influences on the power system stability, the electrical circuits of SCG high response excitation are modeled in detail for conducting digital simulation, and its influence on excitation voltage and active power output of SCG are discussed as well. The simulation results with a typical one machine - infinite bus power system model shows that the SMES effect can be certainly obtained when its exciting power is supplied from SCG terminal bus and may considerably lead to an improvement of power system transient stability.

Photo-excited multi-frequency terahertz switch based on a composite metamaterial structure

NASA Astrophysics Data System (ADS)

Ji, Hongyu; Zhang, Bo; Wang, Guocui; Wang, Wei; Shen, Jingling

2018-04-01

We propose a photo-excited tunable multi-frequency metamaterial (MM) switch that can be used in the terahertz region. This metamaterial switch is composed of a polyimide substrate and a hybrid metal-semiconductor square split-ring resonator (SRR) with two gaps, with various semiconductors placed in critical regions of the metallic resonator. By changing the incident pump power, we were able to tune the conductivity of the diverse semiconductors filling the gaps of the SRR, and by using an external exciting beam, we were able to modulate the resonant absorption properties of the composite metamaterial structure. We demonstrated the tunable multi-frequency metamaterial switch by irradiating the composite metamaterial structure with a pump laser. In addition, we proposed a tunable metamaterial switch based on a circular metallic split-ring resonator.

Raman spectroscopic study of the Chromobacterium violaceum pigment violacein using multiwavelength excitation and DFT calculations.

PubMed

Jehlička, Jan; Edwards, Howell G M; Němec, Ivan; Oren, Aharon

2015-01-01

Violacein is a bisindole pigment occurring as a biosynthetic product of Chromobacterium violaceum and Janthinobacterium lividum. It has some structural similarities to the cyanobacterial UV-protective pigment scytonemin, which has been the subject of comprehensive spectroscopic and structural studies. A detailed experimental Raman spectroscopic study with visible and near-infrared excitation of violacein produced by C. violaceum has been undertaken and supported using theoretical DFT calculations. Raman spectra with 514 and 785 nm excitation of cultivated cells as well as extracts and Gaussian (B3LYP/6-311++G(d,p)) calculations with proposed molecular vibrational assignments are reported here. Copyright © 2015 Elsevier B.V. All rights reserved.

Vibronic structure and coupling of higher excited electronic states in carotenoids

NASA Astrophysics Data System (ADS)

Krawczyk, Stanisław; Luchowski, Rafał

2013-03-01

Absorption spectra of all-trans carotenoids (lycopene, violaxanthin, ζ-carotene) at low temperature exhibit peculiar features in the UV range. The transition to the 11Ag+ state ('cis-band') weakens on cooling, indicating that it is induced by thermal deformations of the conjugated chain. The higher energy band has unique vibrational structure indicating the vibronic coupling of nBu with another electronic state. The electroabsorption spectra point to the electric field-induced mixing of the nBu state with the vibrational continuum of a lower-lying excited state (Fano effect). These observations widen the basis for elucidation of the vibronic coupling effects in the lower excited states.

Excitation of plane Lamb wave in plate-like structures under applied surface loading

NASA Astrophysics Data System (ADS)

Zhou, Kai; Xu, Xinsheng; Zhao, Zhen; Yang, Zhengyan; Zhou, Zhenhuan; Wu, Zhanjun

2018-02-01

Lamb waves play an important role in structure health monitoring (SHM) systems. The excitation of Lamb waves has been discussed for a long time with absorbing results. However, little effort has been made towards the precise characterization of Lamb wave excitation by various transducer models with mathematical foundation. In this paper, the excitation of plane Lamb waves with plane strain assumption in isotropic plate structures under applied surface loading is solved with the Hamiltonian system. The response of the Lamb modes excited by applied loading is expressed analytically. The effect of applied loading is divided into the product of two parts as the effect of direction and the effect of distribution, which can be changed by selecting different types of transducer and the corresponding transducer configurations. The direction of loading determines the corresponding displacement of each mode. The effect of applied loading on the in-plane and normal directions depends on the in-plane and normal displacements at the surface respectively. The effect of the surface loading distribution on the Lamb mode amplitudes is mainly reflected by amplitude versus frequency or wavenumber. The frequencies at which the maxima and minima of the S0 or A0 mode response occur depend on the distribution of surface loading. The numerical results of simulations conducted on an infinite aluminum plate verify the theoretical prediction of not only the direction but also the distribution of applied loading. A pure S0 or A0 mode can be excited by selecting the appropriate direction and distribution at the corresponding frequency.

Low-energy d-d excitations in MnO studied by resonant x-ray fluorescence spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Butorin, S.M.; Guo, J.; Magnuson, M.

1997-04-01

Resonant soft X-ray emission spectroscopy has been demonstrated to possess interesting abilities for studies of electronic structure in various systems, such as symmetry probing, alignment and polarization dependence, sensitivity to channel interference, etc. In the present abstract the authors focus on the feasibility of resonant soft X-ray emission to probe low energy excitations by means of resonant electronic X-ray Raman scattering. Resonant X-ray emission can be regarded as an inelastic scattering process where a system in the ground state is transferred to a low excited state via a virtual core excitation. The energy closeness to a core excitation of themore » exciting radiation enhances the (generally) low probability for inelastic scattering at these wavelengths. Therefore soft X-ray emission spectroscopy (in resonant electronic Raman mode) can be used to study low energy d-d excitations in transition metal systems. The involvement of the intermediate core state allows one to use the selection rules of X-ray emission, and the appearance of the elastically scattered line in the spectra provides the reference to the ground state.« less

Measurements and analyses of principal dynamic parameters of building structures as a function of type of vibration excitation

NASA Astrophysics Data System (ADS)

Bartmański, Cezary; Bochenek, Wojciech; Passia, Henryk; Szade, Adam

2006-06-01

The methods of direct measurement and analysis of the dynamic response of a building structure through real-time recording of the amplitude of low-frequency vibration (tilt) have been presented. Subject to analyses was the reaction induced either by kinematic excitation (road traffic and mining-induced vibration) or controlled action of solid-fuel rocket micro-engines installed on the building. The forces were analysed by means of a set of transducers installed both in the ground and on the structure. After the action of excitation forces has been stopped, the system (structure) makes damped vibration around the static equilibrium position. It has been shown that the type of excitation affects the accuracy of evaluation of principal dynamic parameters of the structure. In the authors opinion these are the decrement of damping and natural vibration frequency. Positive results of tests with the use of excitation by means of short-action (0.6 second) rocket micro-engines give a chance to develop a reliable method for periodical assessment of acceptable loss of usability characteristics of building structures heavily influenced by environmental effects.

Excitation of Terahertz Charge Transfer Plasmons in Metallic Fractal Structures

NASA Astrophysics Data System (ADS)

Ahmadivand, Arash; Gerislioglu, Burak; Sinha, Raju; Vabbina, Phani Kiran; Karabiyik, Mustafa; Pala, Nezih

2017-08-01

There have been extensive researches on terahertz (THz) plasmonic structures supporting resonant modes to demonstrate nano and microscale devices with high efficiency and responsivity as well as frequency selectivity. Here, using antisymmetric plasmonic fractal Y-shaped (FYS) structures as building blocks, we introduce a highly tunable four-member fractal assembly to support charge transfer plasmons (CTPs) and classical dipolar resonant modes with significant absorption cross section in the THz domain. We first present that the unique geometrical nature of the FYS system and corresponding spectral response allow for supporting intensified dipolar plasmonic modes under polarised light exposure in a standalone structure. In addition to classical dipolar mode, for the very first time, we demonstrated CTPs in the THz domain due to the direct shuttling of the charges across the metallic fractal microantenna which led to sharp resonant absorption peaks. Using both numerical and experimental studies, we have investigated and confirmed the excitation of the CTP modes and highly tunable spectral response of the proposed plasmonic fractal structure. This understanding opens new and promising horizons for tightly integrated THz devices with high efficiency and functionality.

Study on Excitation-triggered Damage Mechanism in Perilous Rock

NASA Astrophysics Data System (ADS)

Chen, Hongkai; Wang, Shengjuan

2017-12-01

Chain collapse is easy to happen for perilous rock aggregate locating on steep high slope, and one of the key scientific problems is the damage mechanism of perilous rock under excitation action at perilous rock rupture. This paper studies excitation-triggered damage mechanism in perilous rock by wave mechanics, which gives three conclusions. Firstly, when only the normal incidence attenuation spread of excitation wave is considered, while the energy loss is ignored for excitation wave to spread in perilous rock aggregate, the paper establishes one method to calculate peak velocity when excitation wave passes through boundary between any two perilous rock blocks in perilous rock aggregate. Secondly, following by Sweden and Canmet criteria, the paper provides one wave velocity criterion for excitation-triggered damage in the aggregate. Thirdly, assuming double parameters of volume strain of cracks or fissures in rock meet the Weibull distribution, one method to estimate micro-fissure in excitation-triggered damage zone in perilous rock aggregate is established. The studies solve the mechanical description problem for excitation-triggered damage in perilous rock, which is valuable in studies on profoundly rupture mechanism.

Spin-orbit excitations and electronic structure of the putative Kitaev magnet α -RuCl3

NASA Astrophysics Data System (ADS)

Sandilands, Luke J.; Tian, Yao; Reijnders, Anjan A.; Kim, Heung-Sik; Plumb, K. W.; Kim, Young-June; Kee, Hae-Young; Burch, Kenneth S.

2016-02-01

Mott insulators with strong spin-orbit coupling have been proposed to host unconventional magnetic states, including the Kitaev quantum spin liquid. The 4 d system α -RuCl3 has recently come into view as a candidate Kitaev system, with evidence for unusual spin excitations in magnetic scattering experiments. We apply a combination of optical spectroscopy and Raman scattering to study the electronic structure of this material. Our measurements reveal a series of orbital excitations involving localized total angular momentum states of the Ru ion, implying that strong spin-orbit coupling and electron-electron interactions coexist in this material. Analysis of these features allows us to estimate the spin-orbit coupling strength, as well as other parameters describing the local electronic structure, revealing a well-defined hierarchy of energy scales within the Ru d states. By comparing our experimental results with density functional theory calculations, we also clarify the overall features of the optical response. Our results demonstrate that α -RuCl3 is an ideal material system to study spin-orbit coupled magnetism on the honeycomb lattice.

Structure of spin excitations in heavily electron-doped Li 0.8Fe 0.2ODFeSe superconductors

DOE PAGES

Pan, Bingying; Shen, Yao; Hu, Die; ...

2017-07-25

Heavily electron-doped iron-selenide high-transition-temperature (high-T c) superconductors, which have no hole Fermi pockets, but have a notably high T c, have challenged the prevailing s± pairing scenario originally proposed for iron pnictides containing both electron and hole pockets. The microscopic mechanism underlying the enhanced superconductivity in heavily electron-doped iron-selenide remains unclear. Here, we used neutron scattering to study the spin excitations of the heavily electron-doped iron-selenide material Li 0.8Fe 0.2ODFeSe (T c = 41 K). Our data revealed nearly ring-shaped magnetic resonant excitations surrounding (π, π) at ~21 meV. As the energy increased, the spin excitations assumed a diamond shape,more » and they dispersed outward until the energy reached ~60 meV and then inward at higher energies. The observed energy-dependent momentum structure and twisted dispersion of spin excitations near (π, π) are analogous to those of hole-doped cuprates in several aspects, thus implying that such spin excitations are essential for the remarkably high T c in these materials.« less

Modeling Protein Excited-state Structures from "Over-length" Chemical Cross-links.

PubMed

Ding, Yue-He; Gong, Zhou; Dong, Xu; Liu, Kan; Liu, Zhu; Liu, Chao; He, Si-Min; Dong, Meng-Qiu; Tang, Chun

2017-01-27

Chemical cross-linking coupled with mass spectroscopy (CXMS) provides proximity information for the cross-linked residues and is used increasingly for modeling protein structures. However, experimentally identified cross-links are sometimes incompatible with the known structure of a protein, as the distance calculated between the cross-linked residues far exceeds the maximum length of the cross-linker. The discrepancies may persist even after eliminating potentially false cross-links and excluding intermolecular ones. Thus the "over-length" cross-links may arise from alternative excited-state conformation of the protein. Here we present a method and associated software DynaXL for visualizing the ensemble structures of multidomain proteins based on intramolecular cross-links identified by mass spectrometry with high confidence. Representing the cross-linkers and cross-linking reactions explicitly, we show that the protein excited-state structure can be modeled with as few as two over-length cross-links. We demonstrate the generality of our method with three systems: calmodulin, enzyme I, and glutamine-binding protein, and we show that these proteins alternate between different conformations for interacting with other proteins and ligands. Taken together, the over-length chemical cross-links contain valuable information about protein dynamics, and our findings here illustrate the relationship between dynamic domain movement and protein function. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Simultaneous excitation system for efficient guided wave structural health monitoring

NASA Astrophysics Data System (ADS)

Hua, Jiadong; Michaels, Jennifer E.; Chen, Xin; Lin, Jing

2017-10-01

Many structural health monitoring systems utilize guided wave transducer arrays for defect detection and localization. Signals are usually acquired using the ;pitch-catch; method whereby each transducer is excited in turn and the response is received by the remaining transducers. When extensive signal averaging is performed, the data acquisition process can be quite time-consuming, especially for metallic components that require a low repetition rate to allow signals to die out. Such a long data acquisition time is particularly problematic if environmental and operational conditions are changing while data are being acquired. To reduce the total data acquisition time, proposed here is a methodology whereby multiple transmitters are simultaneously triggered, and each transmitter is driven with a unique excitation. The simultaneously transmitted waves are captured by one or more receivers, and their responses are processed by dispersion-compensated filtering to extract the response from each individual transmitter. The excitation sequences are constructed by concatenating a series of chirps whose start and stop frequencies are randomly selected from a specified range. The process is optimized using a Monte-Carlo approach to select sequences with impulse-like autocorrelations and relatively flat cross-correlations. The efficacy of the proposed methodology is evaluated by several metrics and is experimentally demonstrated with sparse array imaging of simulated damage.

Bogoliubov excitations in a Kronig-Penney potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Danshita, Ippei; Kurihara, Susumu; Tsuchiya, Shunji

2005-11-15

With use of the Kronig-Penney model, we study the excitation spectrum of a Bose-Einstein condensate in a one-dimensional periodic potential. We solve the Bogoliubov equations analytically and obtain the band structure of the excitation spectrum for arbitrary values of the lattice depth. We find that the excitation spectrum is gapless and linear at low energies, and that it is due to the anomalous tunneling of low-energy excitations, predicted by Kagan et al.

Damage detection and quantification in a structural model under seismic excitation using time-frequency analysis

NASA Astrophysics Data System (ADS)

Chan, Chun-Kai; Loh, Chin-Hsiung; Wu, Tzu-Hsiu

2015-04-01

In civil engineering, health monitoring and damage detection are typically carry out by using a large amount of sensors. Typically, most methods require global measurements to extract the properties of the structure. However, some sensors, like LVDT, cannot be used due to in situ limitation so that the global deformation remains unknown. An experiment is used to demonstrate the proposed algorithms: a one-story 2-bay reinforce concrete frame under weak and strong seismic excitation. In this paper signal processing techniques and nonlinear identification are used and applied to the response measurements of seismic response of reinforced concrete structures subject to different level of earthquake excitations. Both modal-based and signal-based system identification and feature extraction techniques are used to study the nonlinear inelastic response of RC frame using both input and output response data or output only measurement. From the signal-based damage identification method, which include the enhancement of time-frequency analysis of acceleration responses and the estimation of permanent deformation using directly from acceleration response data. Finally, local deformation measurement from dense optical tractor is also use to quantify the damage of the RC frame structure.

Optimal multi-type sensor placement for response and excitation reconstruction

NASA Astrophysics Data System (ADS)

Zhang, C. D.; Xu, Y. L.

2016-01-01

The need to perform dynamic response reconstruction always arises as the measurement of structural response is often limited to a few locations, especially for a large civil structure. Besides, it is usually very difficult, if not impossible, to measure external excitations under the operation condition of a structure. This study presents an algorithm for optimal placement of multi-type sensors, including strain gauges, displacement transducers and accelerometers, for the best reconstruction of responses of key structural components where there are no sensors installed and the best estimation of external excitations acting on the structure at the same time. The algorithm is developed in the framework of Kalman filter with unknown excitation, in which minimum-variance unbiased estimates of the generalized state of the structure and the external excitations are obtained by virtue of limited sensor measurements. The structural responses of key locations without sensors can then be reconstructed with the estimated generalized state and excitation. The asymptotic stability feature of the filter is utilized for optimal sensor placement. The number and spatial location of the multi-type sensors are determined by adding the optimal sensor which gains the maximal reduction of the estimation error of reconstructed responses. For the given mode number in response reconstruction and the given locations of external excitations, the optimal multi-sensor placement achieved by the proposed method is independent of the type and time evolution of external excitation. A simply-supported overhanging steel beam under multiple types of excitation is numerically studied to demonstrate the feasibility and superiority of the proposed method, and the experimental work is then carried out to testify the effectiveness of the proposed method.

Response measurements for two building structures excited by noise from a large horizontal axis wind turbine generator

NASA Technical Reports Server (NTRS)

Hubbard, H. H.; Shepherd, K. P.

1984-01-01

Window and wall acceleration measurements and interior noise measurements ere made for two different building structures during excitation by noise from the WTS-4 horizontal axis wind turbine generator operating in a normal power generation mode. With turbine noise input pulses resulted in acceleration pulses for the wall and window elements of the two tests buildings. Response spectra suggest that natural vibration modes of the structures are excited. Responses of a house trailer were substantially greater than those for a building of sturdier construction. Peak acceleration values correlate well with similar data for houses excited by flyover noise from commercial and military airplanes and helicopters, and sonic booms from supersonic aircraft. Interior noise spectra have peaks at frequencies corresponding to structural vibration modes and room standing waves; and the levels for particular frequencies and locations can be higher than the outside levels.

The Fundamental Structure and the Reproduction of Spiral Wave in a Two-Dimensional Excitable Lattice.

PubMed

Qian, Yu; Zhang, Zhaoyang

2016-01-01

In this paper we have systematically investigated the fundamental structure and the reproduction of spiral wave in a two-dimensional excitable lattice. A periodically rotating spiral wave is introduced as the model to reproduce spiral wave artificially. Interestingly, by using the dominant phase-advanced driving analysis method, the fundamental structure containing the loop structure and the wave propagation paths has been revealed, which can expose the periodically rotating orbit of spiral tip and the charity of spiral wave clearly. Furthermore, the fundamental structure is utilized as the core for artificial spiral wave. Additionally, the appropriate parameter region, in which the artificial spiral wave can be reproduced, is studied. Finally, we discuss the robustness of artificial spiral wave to defects.

Stochastic output error vibration-based damage detection and assessment in structures under earthquake excitation

NASA Astrophysics Data System (ADS)

Sakellariou, J. S.; Fassois, S. D.

2006-11-01

A stochastic output error (OE) vibration-based methodology for damage detection and assessment (localization and quantification) in structures under earthquake excitation is introduced. The methodology is intended for assessing the state of a structure following potential damage occurrence by exploiting vibration signal measurements produced by low-level earthquake excitations. It is based upon (a) stochastic OE model identification, (b) statistical hypothesis testing procedures for damage detection, and (c) a geometric method (GM) for damage assessment. The methodology's advantages include the effective use of the non-stationary and limited duration earthquake excitation, the handling of stochastic uncertainties, the tackling of the damage localization and quantification subproblems, the use of "small" size, simple and partial (in both the spatial and frequency bandwidth senses) identified OE-type models, and the use of a minimal number of measured vibration signals. Its feasibility and effectiveness are assessed via Monte Carlo experiments employing a simple simulation model of a 6 storey building. It is demonstrated that damage levels of 5% and 20% reduction in a storey's stiffness characteristics may be properly detected and assessed using noise-corrupted vibration signals.

Motor Cortex Excitability and BDNF Levels in Chronic Musculoskeletal Pain According to Structural Pathology

PubMed Central

Caumo, Wolnei; Deitos, Alícia; Carvalho, Sandra; Leite, Jorge; Carvalho, Fabiana; Dussán-Sarria, Jairo Alberto; Lopes Tarragó, Maria da Graça; Souza, Andressa; Torres, Iraci Lucena da Silva; Fregni, Felipe

2016-01-01

The central sensitization syndrome (CSS) encompasses disorders with overlapping symptoms in a structural pathology spectrum ranging from persistent nociception [e.g., osteoarthritis (OA)] to an absence of tissue injuries such as the one presented in fibromyalgia (FM) and myofascial pain syndrome (MPS). First, we hypothesized that these syndromes present differences in their cortical excitability parameters assessed by transcranial magnetic stimulation (TMS), namely motor evoked potential (MEP), cortical silent period (CSP), short intracortical inhibition (SICI) and short intracortical facilitation (SICF). Second, considering that the presence of tissue injury could be detected by serum neurotrophins, we hypothesized that the spectrum of structural pathology (i.e., from persistent nociception like in OA, to the absence of tissue injury like in FM and MPS), could be detected by differential efficiency of their descending pain inhibitory system, as assessed by the conditioned pain modulation (CPM) paradigm. Third, we explored whether brain-derived neurotrophic factor (BDNF) had an influence on the relationship between motor cortex excitability and structural pathology. This cross-sectional study pooled baseline data from three randomized clinical trials. We included females (n = 114), aged 19–65 years old with disability by chronic pain syndromes (CPS): FM (n = 19), MPS (n = 54), OA (n = 27) and healthy subjects (n = 14). We assessed the serum BDNF, the motor cortex excitability by parameters the TMS measures and the change on numerical pain scale [NPS (0–10)] during CPM-task. The adjusted mean (SD) on the SICI observed in the absence of tissue injury was 56.36% lower than with persistent nociceptive input [0.31(0.18) vs. 0.55 (0.32)], respectively. The BDNF was inversely correlated with the SICI and with the change on NPS (0–10)during CPM-task. These findings suggest greater disinhibition in the motor cortex and the descending pain inhibitory system in FM and

Causal feedforward control of a stochastically excited fuselage structure with active sidewall panel.

PubMed

Misol, Malte; Haase, Thomas; Monner, Hans Peter; Sinapius, Michael

2014-10-01

This paper provides experimental results of an aircraft-relevant double panel structure mounted in a sound transmission loss facility. The primary structure of the double panel system is excited either by a stochastic point force or by a diffuse sound field synthesized in the reverberation room of the transmission loss facility. The secondary structure, which is connected to the frames of the primary structure, is augmented by actuators and sensors implementing an active feedforward control system. Special emphasis is placed on the causality of the active feedforward control system and its implications on the disturbance rejection at the error sensors. The coherence of the sensor signals is analyzed for the two different disturbance excitations. Experimental results are presented regarding the causality, coherence, and disturbance rejection of the active feedforward control system. Furthermore, the sound transmission loss of the double panel system is evaluated for different configurations of the active system. A principal result of this work is the evidence that it is possible to strongly influence the transmission of stochastic disturbance sources through double panel configurations by means of an active feedforward control system.

Optimization of structures undergoing harmonic or stochastic excitation. Ph.D. Thesis; [atmospheric turbulence and white noise

NASA Technical Reports Server (NTRS)

Johnson, E. H.

1975-01-01

The optimal design was investigated of simple structures subjected to dynamic loads, with constraints on the structures' responses. Optimal designs were examined for one dimensional structures excited by harmonically oscillating loads, similar structures excited by white noise, and a wing in the presence of continuous atmospheric turbulence. The first has constraints on the maximum allowable stress while the last two place bounds on the probability of failure of the structure. Approximations were made to replace the time parameter with a frequency parameter. For the first problem, this involved the steady state response, and in the remaining cases, power spectral techniques were employed to find the root mean square values of the responses. Optimal solutions were found by using computer algorithms which combined finite elements methods with optimization techniques based on mathematical programming. It was found that the inertial loads for these dynamic problems result in optimal structures that are radically different from those obtained for structures loaded statically by forces of comparable magnitude.

The electronic structure of VO in its ground and electronically excited states: A combined matrix isolation and quantum chemical (MRCI) study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hübner, Olaf; Hornung, Julius; Himmel, Hans-Jörg, E-mail: hans-jorg.himmel@aci.uni-heidelberg.de

2015-07-14

The electronic ground and excited states of the vanadium monoxide (VO) molecule were studied in detail. Electronic absorption spectra for the molecule isolated in Ne matrices complement the previous gas-phase spectra. A thorough quantum chemical (multi-reference configuration interaction) study essentially confirms the assignment and characterization of the electronic excitations observed for VO in the gas-phase and in Ne matrices and allows the clarification of open issues. It provides a complete overview over the electronically excited states up to about 3 eV of this archetypical compound.

The Fundamental Structure and the Reproduction of Spiral Wave in a Two-Dimensional Excitable Lattice

PubMed Central

Qian, Yu; Zhang, Zhaoyang

2016-01-01

In this paper we have systematically investigated the fundamental structure and the reproduction of spiral wave in a two-dimensional excitable lattice. A periodically rotating spiral wave is introduced as the model to reproduce spiral wave artificially. Interestingly, by using the dominant phase-advanced driving analysis method, the fundamental structure containing the loop structure and the wave propagation paths has been revealed, which can expose the periodically rotating orbit of spiral tip and the charity of spiral wave clearly. Furthermore, the fundamental structure is utilized as the core for artificial spiral wave. Additionally, the appropriate parameter region, in which the artificial spiral wave can be reproduced, is studied. Finally, we discuss the robustness of artificial spiral wave to defects. PMID:26900841

Identification of the structure parameters using short-time non-stationary stochastic excitation

NASA Astrophysics Data System (ADS)

Jarczewska, Kamila; Koszela, Piotr; Śniady, PaweŁ; Korzec, Aleksandra

2011-07-01

In this paper, we propose an approach to the flexural stiffness or eigenvalue frequency identification of a linear structure using a non-stationary stochastic excitation process. The idea of the proposed approach lies within time domain input-output methods. The proposed method is based on transforming the dynamical problem into a static one by integrating the input and the output signals. The output signal is the structure reaction, i.e. structure displacements due to the short-time, irregular load of random type. The systems with single and multiple degrees of freedom, as well as continuous systems are considered.

Ab initio study of collective excitations in a disparate mass molten salt.

PubMed

Bryk, Taras; Klevets, Ivan

2012-12-14

Ab initio molecular dynamics simulations and the approach of generalized collective modes are applied for calculations of spectra of longitudinal and transverse collective excitations in molten LiBr. Dispersion and damping of low- and high-frequency branches of collective excitations as well as wave-number dependent relaxing modes were calculated. The main mode contributions to partial, total, and concentration dynamic structure factors were estimated in a wide region of wave numbers. A role of polarization effects is discussed from comparison of mode contributions to concentration dynamic structure factors calculated for molten LiBr from ab initio and classical rigid ion simulations.

Hydrogen bond strengthening between o-nitroaniline and formaldehyde in electronic excited states: A theoretical study

NASA Astrophysics Data System (ADS)

Yang, Juan; Li, An Yong

2018-06-01

To study the hydrogen bonds upon photoexcited, the time dependent density function method (TD DFT) was performed to investigate the excited state hydrogen bond properties of between o-nitroaniline (ONA) and formaldehyde (CH2O). The optimized structures of the complex and the monomers both in the ground state and the electronically excited states are calculated using DFT and TD DFT method respectively. Quantum chemical calculations of the electronic and vibrational absorption spectra are also carried out by TD DFT method at the different level. The complex ONA⋯CH2O forms the intramolecular hydrogen bond and intermolecular hydrogen bonds. Since the strength of hydrogen bonds can be measured by studying the vibrational absorption spectra of the characteristic groups on the hydrogen bonding acceptor and donor, it evidently confirms that the hydrogen bonds is strengthened in the S1/S2/T1 excited states upon photoexcitation. As a result, the hydrogen bonds cause that the CH stretch frequency of the proton donor CH2O has a blue shift, and the electron excitations leads to a frequency red shift of Ndbnd O and Nsbnd H stretch modes in the o-nitroaniline(ONA) and a small frequency blue shift of CH stretch mode in the formaldehyde(CH2O) in the S1 and S2 excited states. The excited states S1, S2 and T1 are locally excited states where only the ONA moiety is excited, but the CH2O moiety remains in its ground state.

Flight and analytical investigations of a structural mode excitation system on the YF-12A airplane

NASA Technical Reports Server (NTRS)

Goforth, E. A.; Murphy, R. C.; Beranek, J. A.; Davis, R. A.

1987-01-01

A structural excitation system, using an oscillating canard vane to generate force, was mounted on the forebody of the YF-12A airplane. The canard vane was used to excite the airframe structural modes during flight in the subsonic, transonic, and supersonic regimes. Structural modal responses generated by the canard vane forces were measured at the flight test conditions by airframe-mounted accelerometers. Correlations of analytical and experimental aeroelastic results were made. Doublet lattice, steady state double lattice with uniform lag, Mach box, and piston theory all produced acceptable analytical aerodynamic results within the restrictions that apply to each. In general, the aerodynamic theory methods, carefully applied, were found to predict the dynamic behavior of the YF-12A aircraft adequately.

Polarized Fine Structure in the Photoluminescence Excitation Spectrum of a Negatively Charged Quantum Dot

NASA Astrophysics Data System (ADS)

Ware, M. E.; Stinaff, E. A.; Gammon, D.; Doty, M. F.; Bracker, A. S.; Gershoni, D.; Korenev, V. L.; Bădescu, Ş. C.; Lyanda-Geller, Y.; Reinecke, T. L.

2005-10-01

We report polarized photoluminescence excitation spectroscopy of the negative trion in single charge-tunable InAs/GaAs quantum dots. The spectrum exhibits a p-shell resonance with polarized fine structure arising from the direct excitation of the electron spin triplet states. The energy splitting arises from the axially symmetric electron-hole exchange interaction. The magnitude and sign of the polarization are understood from the spin character of the triplet states and a small amount of quantum dot asymmetry, which mixes the wave functions through asymmetric e-e and e-h exchange interactions.

Polarized fine structure in the photoluminescence excitation spectrum of a negatively charged quantum dot.

PubMed

Ware, M E; Stinaff, E A; Gammon, D; Doty, M F; Bracker, A S; Gershoni, D; Korenev, V L; Bădescu, S C; Lyanda-Geller, Y; Reinecke, T L

2005-10-21

We report polarized photoluminescence excitation spectroscopy of the negative trion in single charge-tunable quantum dots. The spectrum exhibits a p-shell resonance with polarized fine structure arising from the direct excitation of the electron spin triplet states. The energy splitting arises from the axially symmetric electron-hole exchange interaction. The magnitude and sign of the polarization are understood from the spin character of the triplet states and a small amount of quantum dot asymmetry, which mixes the wave functions through asymmetric e-e and e-h exchange interactions.

Multi-Exciter Vibroacoustic Simulation of Hypersonic Flight Vibration

DOE Office of Scientific and Technical Information (OSTI.GOV)

GREGORY,DANNY LYNN; CAP,JEROME S.; TOGAMI,THOMAS C.

1999-11-11

Many aerospace structures must survive severe high frequency, hypersonic, random vibration during their flights. The random vibrations are generated by the turbulent boundary layer developed along the exterior of the structures during flight. These environments have not been simulated very well in the past using a fixed-based, single exciter input with an upper frequency range of 2 kHz. This study investigates the possibility of using acoustic ardor independently controlled multiple exciters to more accurately simulate hypersonic flight vibration. The test configuration, equipment, and methodology are described. Comparisons with actual flight measurements and previous single exciter simulations are also presented.

An experimental study of tone excited heated jets

NASA Technical Reports Server (NTRS)

Lepicovsky, J.; Ahuja, K. K.; Salikuddin, M.

1984-01-01

The objective of this investigation was to obtain detailed experimental data on the effects of upstream acoustic excitation on the mixing of heated jets with the surrounding air. Based on the information gathered in the literature survey, a technical approach was developed to carry out a systematic set of mean flowfield measurements for a broad range of jet operating and acoustic excitation conditions. Most of the results were obtained at Mach numbers of 0.3 and 0.8 and total temperatures of up to 800 K. Some measurements were made also for the fully expanded supersonic jet of Mj = 1.15. The maximum level of excitation was Le equal to or less than 150 dB and a range of excitation frequencies up to fe = 4 kHz was used. The important results derived from this study can be summarized as follows: (1) the sensitivity of heated jets to upstream acoustic excitation varies strongly with the jet operating conditions, (2) the threshold excitation level increases with increasing jet temperature, and (3) the preferred Strouhal number does not change significantly with a change of the jet operating conditions.

Structural, photophysical, and theoretical studies of imidazole-based excited-state intramolecular proton transfer molecules

NASA Astrophysics Data System (ADS)

Somasundaram, Sivaraman; Kamaraj, Eswaran; Hwang, Su Jin; Park, Sanghyuk

2018-02-01

Imidazole-based excited state intramolecular proton transfer (ESIPT) blue fluorescent molecules, 2-(1-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol (BHPI-Cl) and 2-(1-(4-bromophenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol (BHPI-Br) were designed and synthesized by Debus-Radziszewski method through a one-pot multicomponent reaction in high yield. The synthesized compounds were fully characterized by 1H NMR, 13C NMR, FT-IR, FT-Raman, GC-Mass, and elemental analysis. The molecular structures in single crystal lattice were studied by X-ray crystallographic analysis. Because of the intramolecular hydrogen bonding, hydroxyphenyl group is planar to the central imidazole ring, while the other phenyl rings gave distorted conformations to the central heterocyclic ring. BHPI-Cl and BHPI-Br molecules showed intense ESIPT fluorescence at 480 nm, because the two twisted phenyl rings on 4- and 5-positions have reduced intermolecular interaction between adjacent molecules in each crystal through a head-to-tail packing manner. Quantum chemical calculations of energies were carried out by (TD-)DFT using B3LYP/6-31G(d, p) basis set to predict the electronic absorption spectra of the compounds, and they showed good agreement between the computational and the experimental values. The thermal analyses of the synthesized molecules were also carried out by TGA/DSC method.

Controlling the excited-state dynamics of low band gap, near-infrared absorbers via proquinoidal unit electronic structural modulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bai, Yusong; Rawson, Jeff; Roget, Sean A.

While the influence of proquinoidal character upon the linear absorption spectrum of low optical bandgap π-conjugated polymers and molecules is well understood, its impact upon excited-state relaxation pathways and dynamics remains obscure. We report the syntheses, electronic structural properties, and excited-state dynamics of a series of model highly conjugated near-infrared (NIR)-absorbing chromophores based on a (porphinato)metal(II)-proquinoidal spacer-(porphinato)metal(II) (PM-Sp-PM) structural motif. A combination of excited-state dynamical studies and time-dependent density functional theory calculations: (i) points to the cardinal role that excited-state configuration interaction (CI) plays in determining the magnitudes of S 1 → S 0 radiative (k r), S 1 → T 1 intersystem crossing (k ISC), and S 1 → S 0 internal conversion (k IC) rate constants in these PM-Sp-PM chromophores, and (ii) suggests that a primary determinant of CI magnitude derives from the energetic alignment of the PM and Sp fragment LUMOs (ΔE L). These insights not only enable steering of excited-state relaxation dynamics of high oscillator strength NIR absorbers to realize either substantial fluorescence or long-lived triplets (τmore » $$_ {T_1}$$ > μs) generated at unit quantum yield (Φ ISC = 100%), but also crafting of those having counter-intuitive properties: for example, while (porphinato)platinum compounds are well known to generate non-emissive triplet states (Φ ISC = 100%) upon optical excitation at ambient temperature, diminishing the extent of excited-state CI in these systems realizes long-wavelength absorbing heavy-metal fluorophores. In conclusion, this work highlights approaches to: (i) modulate low-lying singlet excited-state lifetime over the picosecond-to-nanosecond time domain, (ii) achieve NIR fluorescence with quantum yields up to 25%, (iii) tune the magnitude of S 1–T 1 ISC rate constant from 10 9 to 10 12 s -1 and (iv) realize T 1-state lifetimes that

Controlling the excited-state dynamics of low band gap, near-infrared absorbers via proquinoidal unit electronic structural modulation

DOE PAGES

Bai, Yusong; Rawson, Jeff; Roget, Sean A.; ...

2017-06-07

While the influence of proquinoidal character upon the linear absorption spectrum of low optical bandgap π-conjugated polymers and molecules is well understood, its impact upon excited-state relaxation pathways and dynamics remains obscure. We report the syntheses, electronic structural properties, and excited-state dynamics of a series of model highly conjugated near-infrared (NIR)-absorbing chromophores based on a (porphinato)metal(II)-proquinoidal spacer-(porphinato)metal(II) (PM-Sp-PM) structural motif. A combination of excited-state dynamical studies and time-dependent density functional theory calculations: (i) points to the cardinal role that excited-state configuration interaction (CI) plays in determining the magnitudes of S 1 → S 0 radiative (k r), S 1 → T 1 intersystem crossing (k ISC), and S 1 → S 0 internal conversion (k IC) rate constants in these PM-Sp-PM chromophores, and (ii) suggests that a primary determinant of CI magnitude derives from the energetic alignment of the PM and Sp fragment LUMOs (ΔE L). These insights not only enable steering of excited-state relaxation dynamics of high oscillator strength NIR absorbers to realize either substantial fluorescence or long-lived triplets (τmore » $$_ {T_1}$$ > μs) generated at unit quantum yield (Φ ISC = 100%), but also crafting of those having counter-intuitive properties: for example, while (porphinato)platinum compounds are well known to generate non-emissive triplet states (Φ ISC = 100%) upon optical excitation at ambient temperature, diminishing the extent of excited-state CI in these systems realizes long-wavelength absorbing heavy-metal fluorophores. In conclusion, this work highlights approaches to: (i) modulate low-lying singlet excited-state lifetime over the picosecond-to-nanosecond time domain, (ii) achieve NIR fluorescence with quantum yields up to 25%, (iii) tune the magnitude of S 1–T 1 ISC rate constant from 10 9 to 10 12 s -1 and (iv) realize T 1-state lifetimes that

Spectral and time-resolved studies on ocular structures

NASA Astrophysics Data System (ADS)

Schweitzer, D.; Jentsch, S.; Schenke, S.; Hammer, M.; Biskup, C.; Gaillard, E.

2007-07-01

Measurements of endogeous fluorophores open the possibility for evaluation of metabolic state at the eye. For interpretation of 2-dimensional measurements of time-resolved auto fluorescence in 2 separate spectral ranges at the human eye, comparing measurements were performed on porcine eyes. Determining excitation and emission spectra, attention was drawn of proof of coenzymes NADH and FAD in isolated anatomical structures cornea, aqueous humor, lens, vitreous, neuronal retina, retinal pigment epithelium (RPE), choroid, and sclera. All these structures exhibit auto fluorescence, highest in lens. Excitation at 350 nm results in local fluorescence maxima at 460 nm, corresponding to NADH, in all structures. This short-wave excitation allows metabolic studies only at the anterior eye, because of the limited transmission of the ocular media. During excitation at 446 nm the existence of FAD is expressed by local fluorescence maxima at 530 nm. The composition fluorescence spectra allow no discrimination between single ocular structures. Approximating the dynamic fluorescence by a double exponential function, the shortest lifetimes were detected in RPE and neuronal retina. The histograms of mean lifetime t M cover each other on lens with cornea and also on sclera with choroid. Despite the lifetimes are close between RPE and neuronal retina, the relative contributions Q I are wide different. The gradient of trend lines in cluster diagrams of amplitudes α II vs. α I allows a discrimination of ocular structures.

Possible Itinerant Moment Contributions to the Magnetic Excitations in Gd, Studied by Neutron Spectroscopy

NASA Astrophysics Data System (ADS)

Granroth, G. E.; Aczel, A. A.; Fernandez-Baca, J. A.; Nagler, S. E.

2013-03-01

Many experimental features in magnetic superconductors are also present when these complex materials are in the normal state. Therefore studies of simpler itinerant magnets may help provide understanding of these phenomena. We chose to study Gd as it is has an ~ 0 . 6μB itinerant moment in addition to a ~ 7 . 0μB localized moment. The SEQUOIA spectrometer, at the Spallation Neutron Source at Oak Ridge National Laboratory, was used in fine resolution mode with Ei=50 meV neutrons, to measure the magnetic excitations in a 12 gm 160Gd single crystal. The crystal was mounted with the h 0 l plane horizontal and rotated around the vertical axis to map out the excitations. The measured magnetic structure factor for the acoustic modes in the hh 0 direction has an intensity step at h ~ 0 . 3 . Electronic band structure calculations (W. M. Temmerman and P. A. Sterne, J. Phys: Condes. Matter,2, 5529 (1990)) show this Q position to be near several band crossings of the Fermi surface. A detailed analysis, including instrumental resolution, is presented to clarify any relationship between the magnetic structure factor and the electronic band structure. This work was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy.

Nuclear shapes studied with low-energy Coulomb excitation

NASA Astrophysics Data System (ADS)

Zielińska, Magda; Hadyńska-Klȩk, Katarzyna

2018-05-01

Coulomb excitation is one of the rare methods available to obtain information on static electromagnetic moments of short-lived excited nuclear states, including collective non-yrast levels. It is thus an ideal tool to study shape coexistence and shape evolution throughout the nuclear chart. Historically, these experiments were limited to stable isotopes, however the advent of new facilities, providing intense beams of short-lived radioactive species, has opened the possibility to apply this powerful technique to a much wider range of nuclei. Here, we present some recent complex Coulomb-excitation studies and use the example of superdeformed states in 42Ca to demonstrate the sensitivity of the method to second-order effects such as relative signs of electromagnetic matrix elements and quadrupole moments.

Study of 2 S - and 1 D -excitations of observed charmed strange baryons

NASA Astrophysics Data System (ADS)

Ye, Dan-Dan; Zhao, Ze; Zhang, Ailin

2017-12-01

Strong decays of Ξc baryons with radial or orbital λ - and ρ -mode excitations with positive parity have been studied in a 3P0 model. As candidates of these kinds of excited charmed strange baryons, possible configurations and JP quantum numbers of Ξc(2930 ), Ξc(2980 ), Ξc(3055 ), Ξc(3080 ), and Ξc(3123 ) have been assigned based on experimental data. There are 40 kinds of configurations to describe the first radial or orbital excited Ξc in λ - and ρ -mode excitations with positive parity. In these assignments, Ξc(2930 ) may be a 2 S -wave excited Ξ˜c 1(1/2+) or Ξ˜c 1(3/2+), or a D -wave excited Ξ^c 1 '(1/2+) , Ξˇc 1 0(1/2+) , Ξˇc 1 2(1/2+) , Ξ^c 1 '(3/2+) , Ξˇc1 0(3/2+), or Ξˇc1 2(3/2+). Ξc(2980 )+ may be a 2 S -wave excited Ξ˜c 1(1/2+)or Ξ˜c0 '(1/2+) with JP=1/2+, or a D -wave excited Ξˇc0 '0(1/2+) or Ξˇc 1 0(1/2+) with JP=1/2+. Ξc(3055 )+may be a 2 S -wave excited Ξ´c 1 '(3/2+) or Ξ´c 0(1/2+). It may be a D -wave excited Ξc1 '(3/2+), Ξc2 '(5/2+), Ξc 2(3/2+) , or Ξc 2(5/2+) . Ξc(3080 )+is very possibly a 2 S -wave excited Ξ´c 0(1/2 +) and seems not to be a D -wave excitation of Ξc. Because of the poor experimental information for Ξc(3123 ), it is impossible to identify this state at present. It is found that the channel Λ D vanishes in the strong decay of P -wave, D -wave, and 2 S -wave excited Ξc without ρ -mode excitation between the two light quarks (nρ=Lρ=0 ). In different configurations, some branching fraction ratios related to the internal structure of the 2 S -wave and D -wave of Ξc are different. These ratios have been computed and can be employed to distinguish different configurations in forthcoming experiments.

Modeling an Excitable Biosynthetic Tissue with Inherent Variability for Paired Computational-Experimental Studies.

PubMed

Gokhale, Tanmay A; Kim, Jong M; Kirkton, Robert D; Bursac, Nenad; Henriquez, Craig S

2017-01-01

To understand how excitable tissues give rise to arrhythmias, it is crucially necessary to understand the electrical dynamics of cells in the context of their environment. Multicellular monolayer cultures have proven useful for investigating arrhythmias and other conduction anomalies, and because of their relatively simple structure, these constructs lend themselves to paired computational studies that often help elucidate mechanisms of the observed behavior. However, tissue cultures of cardiomyocyte monolayers currently require the use of neonatal cells with ionic properties that change rapidly during development and have thus been poorly characterized and modeled to date. Recently, Kirkton and Bursac demonstrated the ability to create biosynthetic excitable tissues from genetically engineered and immortalized HEK293 cells with well-characterized electrical properties and the ability to propagate action potentials. In this study, we developed and validated a computational model of these excitable HEK293 cells (called "Ex293" cells) using existing electrophysiological data and a genetic search algorithm. In order to reproduce not only the mean but also the variability of experimental observations, we examined what sources of variation were required in the computational model. Random cell-to-cell and inter-monolayer variation in both ionic conductances and tissue conductivity was necessary to explain the experimentally observed variability in action potential shape and macroscopic conduction, and the spatial organization of cell-to-cell conductance variation was found to not impact macroscopic behavior; the resulting model accurately reproduces both normal and drug-modified conduction behavior. The development of a computational Ex293 cell and tissue model provides a novel framework to perform paired computational-experimental studies to study normal and abnormal conduction in multidimensional excitable tissue, and the methodology of modeling variation can be

Non-iridescent Transmissive Structural Color Filter Featuring Highly Efficient Transmission and High Excitation Purity

PubMed Central

Shrestha, Vivek Raj; Lee, Sang-Shin; Kim, Eun-Soo; Choi, Duk-Yong

2014-01-01

Nanostructure based color filtering has been considered an attractive replacement for current colorant pigmentation in the display technologies, in view of its increased efficiencies, ease of fabrication and eco-friendliness. For such structural filtering, iridescence relevant to its angular dependency, which poses a detrimental barrier to the practical development of high performance display and sensing devices, should be mitigated. We report on a non-iridescent transmissive structural color filter, fabricated in a large area of 76.2 × 25.4 mm2, taking advantage of a stack of three etalon resonators in dielectric films based on a high-index cavity in amorphous silicon. The proposed filter features a high transmission above 80%, a high excitation purity of 0.93 and non-iridescence over a range of 160°, exhibiting no significant change in the center wavelength, dominant wavelength and excitation purity, which implies no change in hue and saturation of the output color. The proposed structure may find its potential applications to large-scale display and imaging sensor systems. PMID:24815530

Multi-quasiparticle excitations in 145Tb

NASA Astrophysics Data System (ADS)

Zheng, Y.; Zhou, X. H.; Zhang, Y. H.; Hayakawa, T.; Oshima, M.; Toh, Y.; Shizuma, T.; Katakura, J.; Hatsukawa, Y.; Matsuda, M.; Kusakari, H.; Sugawara, M.; Furuno, K.; Komatsubara, T.

2004-04-01

High-spin states in 145Tb have been investigated by means of in-beam ggr-ray spectroscopy techniques with the 118Sn(32S, 1p4n) reaction. Excitation functions, X-ggr-t and ggr-ggr-t coincidences and ggr-ray anisotropies were measured. A level scheme of 145Tb was established up to Exap 7 MeV. The level structure shows characteristics of a spherical nucleus. Based on the systematics of level structure in the odd-A N = 80 isotones, the level structure below 2 MeV excitation is interpreted by coupling an h11/2 proton to the excitations in the even-even 144Gd core. Above 2 MeV excitation, most of the yrast levels are interpreted with multi-quasiparticle shell-model configurations.

Excited state conformational dynamics in carotenoids: dark intermediates and excitation energy transfer.

PubMed

Beck, Warren F; Bishop, Michael M; Roscioli, Jerome D; Ghosh, Soumen; Frank, Harry A

2015-04-15

A consideration of the excited state potential energy surfaces of carotenoids develops a new hypothesis for the nature of the conformational motions that follow optical preparation of the S2 (1(1)Bu(+)) state. After an initial displacement from the Franck-Condon geometry along bond length alternation coordinates, it is suggested that carotenoids pass over a transition-state barrier leading to twisted conformations. This hypothesis leads to assignments for several dark intermediate states encountered in femtosecond spectroscopic studies. The Sx state is assigned to the structure reached upon the onset of torsional motions near the transition state barrier that divides planar and twisted structures on the S2 state potential energy surface. The X state, detected recently in two-dimensional electronic spectra, corresponds to a twisted structure well past the barrier and approaching the S2 state torsional minimum. Lastly, the S(∗) state is assigned to a low lying S1 state structure with intramolecular charge transfer character (ICT) and a pyramidal conformation. It follows that the bent and twisted structures of carotenoids that are found in photosynthetic light-harvesting proteins yield excited-state structures that favor the development of an ICT character and optimized energy transfer yields to (bacterio)chlorophyll acceptors. Copyright © 2015 Elsevier Inc. All rights reserved.

Study of Various Slanted Air-Gap Structures of Interior Permanent Magnet Synchronous Motor with Brushless Field Excitation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tolbert, Leon M; Lee, Seong T

2010-01-01

This paper shows how to maximize the effect of the slanted air-gap structure of an interior permanent magnet synchronous motor with brushless field excitation (BFE) for application in a hybrid electric vehicle. The BFE structure offers high torque density at low speed and weakened flux at high speed. The unique slanted air-gap is intended to increase the output torque of the machine as well as to maximize the ratio of the back-emf of a machine that is controllable by BFE. This irregularly shaped air-gap makes a flux barrier along the d-axis flux path and decreases the d-axis inductance; as amore » result, the reluctance torque of the machine is much higher than a uniform air-gap machine, and so is the output torque. Also, the machine achieves a higher ratio of the magnitude of controllable back-emf. The determination of the slanted shape was performed by using magnetic equivalent circuit analysis and finite element analysis (FEA).« less

Ultrafast optical excitation of magnetic skyrmions

NASA Astrophysics Data System (ADS)

Ogawa, N.; Seki, S.; Tokura, Y.

2015-04-01

Magnetic skyrmions in an insulating chiral magnet Cu2OSeO3 were studied by all-optical spin wave spectroscopy. The spins in the conical and skyrmion phases were excited by the impulsive magnetic field from the inverse-Faraday effect, and resultant spin dynamics were detected by using time-resolved magneto-optics. Clear dispersions of the helimagnon were observed, which is accompanied by a distinct transition into the skyrmion phase, by sweeping temperature and magnetic field. In addition to the collective excitations of skyrmions, i.e., rotation and breathing modes, several spin precession modes were identified, which would be specific to optical excitation. The ultrafast, nonthermal, and local excitation of the spin systems by photons would lead to the efficient manipulation of nano-magnetic structures.

Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Yi; Chen, Frank; Park, Joonkyu

Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than the averagedmore » phonon mean-free path in BaTiO3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. This time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Yi; Chen, Frank; Park, Joonkyu

Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO 3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than themore » averaged phonon mean-free path in BaTiO 3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. In conclusion, this time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

DOE PAGES

Zhu, Yi; Chen, Frank; Park, Joonkyu; ...

2017-11-16

Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO 3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than themore » averaged phonon mean-free path in BaTiO 3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. In conclusion, this time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

Electronic Excitation in Molecular Collisions: Structural, Dynamic and Kinetic Considerations.

DTIC Science & Technology

1981-08-01

electronically excited species are examined. The problem is studied both in general terms (i.e., the development of the required theoretical framework ) and in application to specific systems. (Author)

Electronic Excitation in Molecular Collisions: Structural, Dynamic and Kinetic Considerations.

DTIC Science & Technology

1980-09-01

electronically excited species are examined. The problem is studied both in general terms (i.e., the development of the required theoretical framework ) and in application to specific systems. (Author)

Electronic Excitation in Molecular Collisions: Structural, Dynamic and Kinetic Considerations.

DTIC Science & Technology

1979-09-01

electronically excited species are examined. The problem is studied both in general terms (i.e., the development of the required theoretical framework ) and in application to specific systems. (Author)

Electronic Excitation in Molecular Collisions: Structural, Dynamic and Kinetic Considerations.

DTIC Science & Technology

electronically excited specied are examined. The problem is studied both in general terms (i.e., the development of the required theoretical framework ) and in application to specific systems. (Author)

Excited-state structure and isomerization dynamics of the retinal chromophore in rhodopsin from resonance Raman intensities.

PubMed Central

Loppnow, G R; Mathies, R A

1988-01-01

Resonance Raman excitation profiles have been measured for the bovine visual pigment rhodopsin using excitation wavelengths ranging from 457.9 to 647.1 nm. A complete Franck-Condon analysis of the absorption spectrum and resonance Raman excitation profiles has been performed using an excited-state, time-dependent wavepacket propagation technique. This has enabled us to determine the change in geometry upon electronic excitation of rhodopsin's 11-cis-retinal protonated Schiff base chromophore along 25 normal coordinates. Intense low-frequency Raman lines are observed at 98, 135, 249, 336, and 461 cm-1 whose intensities provide quantitative, mode-specific information about the excited-state torsional deformations that lead to isomerization. The dominant contribution to the width of the absorption band in rhodopsin results from Franck-Condon progressions in the 1,549 cm-1 ethylenic normal mode. The lack of vibronic structure in the absorption spectrum is shown to be caused by extensive progressions in low-frequency torsional modes and a large homogeneous linewidth (170 cm-1 half-width) together with thermal population of low-frequency modes and inhomogeneous site distribution effects. The resonance Raman cross-sections of rhodopsin are unusually weak because the excited-state wavepacket moves rapidly (approximately 35 fs) and permanently away from the Franck-Condon geometry along skeletal stretching and torsional coordinates. PMID:3416032

Structural Health Monitoring of Above-Ground Storage Tank Floors by Ultrasonic Guided Wave Excitation on the Tank Wall.

PubMed

Lowe, Premesh S; Duan, Wenbo; Kanfoud, Jamil; Gan, Tat-Hean

2017-11-04

There is an increasing interest in using ultrasonic guided waves to assess the structural degradation of above-ground storage tank floors. This is a non-invasive and economically viable means of assessing structural degradation. Above-ground storage tank floors are ageing assets which need to be inspected periodically to avoid structural failure. At present, normal-stress type transducers are bonded to the tank annular chime to generate a force field in the thickness direction of the floor and excite fundamental symmetric and asymmetric Lamb modes. However, the majority of above-ground storage tanks in use have no annular chime due to a simplified design and/or have a degraded chime due to corrosion. This means that transducers cannot be mounted on the chime to assess structural health according to the present technology, and the market share of structural health monitoring of above-ground storage tank floors using ultrasonic guided wave is thus limited. Therefore, the present study investigates the potential of using the tank wall to bond the transducer instead of the tank annular chime. Both normal and shear type transducers were investigated numerically, and results were validated using a 4.1 m diameter above-ground storage tank. The study results show shear mode type transducers bonded to the tank wall can be used to assess the structural health of the above-ground tank floors using an ultrasonic guided wave. It is also shown that for the cases studied there is a 7.4 dB signal-to-noise ratio improvement at 45 kHz for the guided wave excitation on the tank wall using shear mode transducers.

Structural Health Monitoring of Above-Ground Storage Tank Floors by Ultrasonic Guided Wave Excitation on the Tank Wall

PubMed Central

Kanfoud, Jamil; Gan, Tat-Hean

2017-01-01

There is an increasing interest in using ultrasonic guided waves to assess the structural degradation of above-ground storage tank floors. This is a non-invasive and economically viable means of assessing structural degradation. Above-ground storage tank floors are ageing assets which need to be inspected periodically to avoid structural failure. At present, normal-stress type transducers are bonded to the tank annular chime to generate a force field in the thickness direction of the floor and excite fundamental symmetric and asymmetric Lamb modes. However, the majority of above-ground storage tanks in use have no annular chime due to a simplified design and/or have a degraded chime due to corrosion. This means that transducers cannot be mounted on the chime to assess structural health according to the present technology, and the market share of structural health monitoring of above-ground storage tank floors using ultrasonic guided wave is thus limited. Therefore, the present study investigates the potential of using the tank wall to bond the transducer instead of the tank annular chime. Both normal and shear type transducers were investigated numerically, and results were validated using a 4.1 m diameter above-ground storage tank. The study results show shear mode type transducers bonded to the tank wall can be used to assess the structural health of the above-ground tank floors using an ultrasonic guided wave. It is also shown that for the cases studied there is a 7.4 dB signal-to-noise ratio improvement at 45 kHz for the guided wave excitation on the tank wall using shear mode transducers. PMID:29113058

Synthesis, structure, and excited state kinetics of heteroleptic Cu(i) complexes with a new sterically demanding phenanthroline ligand

DOE PAGES

Kohler, Lars; Hadt, Ryan G.; Hayes, Dugan; ...

2017-09-25

In this paper we describe the synthesis of a new phenanthroline ligand, 2,9-di(2,4,6-tri-isopropyl-phenyl)-1,10-phenanthroline (bL2) and its use as the blocking ligand in the preparation of two new heteroleptic Cu(I)diimine complexes. Analysis of the CuHETPHEN single crystal structures shows a distinct distortion from an ideal tetrahedral geometry around the Cu(I) center, forced by the secondary phenanthroline ligand rotating to accommodate the isopropyl groups of bL2. The increased steric bulk of bL2 as compared to the more commonly used 2,9-dimesityl-1,10-phenanthroline blocking ligand prohibits intramolecular ligand–ligand interaction, which is unique among CuHETPHEN complexes. The ground state optical and redox properties of CuHETPHEN complexesmore » are responsive to the substitution on the blocking ligand even though the differences in structure are far removed from the Cu(I) center. Transient optical spectroscopy was used to understand the excited state kinetics in both coordinating and non-coordinating solvents following visible excitation. Substitution of the blocking phenanthroline ligand has a significant impact on the 3MLCT decay and can be used to increase the excited state lifetime by 50%. Electronic structure calculations established relationships between ground and excited state properties, and general entatic state concepts are discussed for copper photosensitizers. This work contributes to the growing library of CuHETPHEN complexes and broadens the fundamental understanding of their ground and excited state properties.« less

Generating functions and stability study of multivariate self-excited epidemic processes

NASA Astrophysics Data System (ADS)

Saichev, A. I.; Sornette, D.

2011-09-01

We present a stability study of the class of multivariate self-excited Hawkes point processes, that can model natural and social systems, including earthquakes, epileptic seizures and the dynamics of neuron assemblies, bursts of exchanges in social communities, interactions between Internet bloggers, bank network fragility and cascading of failures, national sovereign default contagion, and so on. We present the general theory of multivariate generating functions to derive the number of events over all generations of various types that are triggered by a mother event of a given type. We obtain the stability domains of various systems, as a function of the topological structure of the mutual excitations across different event types. We find that mutual triggering tends to provide a significant extension of the stability (or subcritical) domain compared with the case where event types are decoupled, that is, when an event of a given type can only trigger events of the same type.

Semiempirical modeling of Ag nanoclusters: New parameters for optical property studies enable determination of double excitation contributions to plasmonic excitation

DOE PAGES

Gieseking, Rebecca L.; Ratner, Mark A.; Schatz, George C.

2016-06-03

Quantum mechanical studies of Ag nanoclusters have shown that plasmonic behavior can be modeled in terms of excited states where collectivity among single excitations leads to strong absorption. However, new computational approaches are needed to provide understanding of plasmonic excitations beyond the single-excitation level. We show that semiempirical INDO/CI approaches with appropriately selected parameters reproduce the TD-DFT optical spectra of various closed-shell Ag clusters. The plasmon-like states with strong optical absorption comprise linear combinations of many singly excited configurations that contribute additively to the transition dipole moment, whereas all other excited states show significant cancellation among the contributions to themore » transition dipole moment. The computational efficiency of this approach allows us to investigate the role of double excitations at the INDO/SDCI level. The Ag cluster ground states are stabilized by slight mixing with doubly excited configurations, but the plasmonic states generally retain largely singly excited character. The consideration of double excitations in all cases improves the agreement of the INDO/CI absorption spectra with TD-DFT, suggesting that the SDCI calculation effectively captures some of the ground-state correlation implicit in DFT. Furthermore, these results provide the first evidence to support the commonly used assumption that single excitations are in many cases sufficient to describe the optical spectra of plasmonic excitations quantum mechanically.« less

Electronic structure and optical properties of CdSxSe1-x solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

NASA Astrophysics Data System (ADS)

Murphy, M. W.; Yiu, Y. M.; Ward, M. J.; Liu, L.; Hu, Y.; Zapien, J. A.; Liu, Yingkai; Sham, T. K.

2014-11-01

The electronic structure and optical properties of a series of iso-electronic and iso-structural CdSxSe1-x solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

Modal-space reference-model-tracking fuzzy control of earthquake excited structures

NASA Astrophysics Data System (ADS)

Park, Kwan-Soon; Ok, Seung-Yong

2015-01-01

This paper describes an adaptive modal-space reference-model-tracking fuzzy control technique for the vibration control of earthquake-excited structures. In the proposed approach, the fuzzy logic is introduced to update optimal control force so that the controlled structural response can track the desired response of a reference model. For easy and practical implementation, the reference model is constructed by assigning the target damping ratios to the first few dominant modes in modal space. The numerical simulation results demonstrate that the proposed approach successfully achieves not only the adaptive fault-tolerant control system against partial actuator failures but also the robust performance against the variations of the uncertain system properties by redistributing the feedback control forces to the available actuators.

Etude numerique et experimentale de la reponse vibro-acoustique des structures raidies a des excitations aeriennes et solidiennes

NASA Astrophysics Data System (ADS)

Mejdi, Abderrazak

Les fuselages des avions sont generalement en aluminium ou en composite renforces par des raidisseurs longitudinaux (lisses) et transversaux (cadres). Les raidisseurs peuvent etre metalliques ou en composite. Durant leurs differentes phases de vol, les structures d'avions sont soumises a des excitations aeriennes (couche limite turbulente : TBL, champs diffus : DAF) sur la peau exterieure dont l'energie acoustique produite se transmet a l'interieur de la cabine. Les moteurs, montes sur la structure, produisent une excitation solidienne significative. Ce projet a pour objectifs de developper et de mettre en place des strategies de modelisations des fuselages d'avions soumises a des excitations aeriennes et solidiennes. Tous d'abord, une mise a jour des modeles existants de la TBL apparait dans le deuxieme chapitre afin de mieux les classer. Les proprietes de la reponse vibro-acoustique des structures planes finies et infinies sont analysees. Dans le troisieme chapitre, les hypotheses sur lesquelles sont bases les modeles existants concernant les structures metalliques orthogonalement raidies soumises a des excitations mecaniques, DAF et TBL sont reexamines en premier lieu. Ensuite, une modelisation fine et fiable de ces structures est developpee. Le modele est valide numeriquement a l'aide des methodes des elements finis (FEM) et de frontiere (BEM). Des tests de validations experimentales sont realises sur des panneaux d'avions fournis par des societes aeronautiques. Au quatrieme chapitre, une extension vers les structures composites renforcees par des raidisseurs aussi en composites et de formes complexes est etablie. Un modele analytique simple est egalement implemente et valide numeriquement. Au cinquieme chapitre, la modelisation des structures raidies periodiques en composites est beaucoup plus raffinee par la prise en compte des effets de couplage des deplacements planes et transversaux. L'effet de taille des structures finies periodiques est egalement pris en

Acoustics of Excited Jets: A Historical Perspective

NASA Technical Reports Server (NTRS)

Brown, Cliffard A.

2005-01-01

The idea that a jet may be excited by external forcing is not new. The first published demonstration of a jet responding to external pressure waves occurred in the mid-1800's. It was not, however, until the 1950's, with the advent of commercial jet aircraft, that interest in the subject greatly increased. Researchers first used excited jets to study the structure of the jet and attempt to determine the nature of the noise sources. The jet actuators of the time limited the range (Reynolds and Mach numbers) of jets that could be excited. As the actuators improved, more realistic jets could be studied. This has led to a better understanding of how jet excitation may be used not only as a research tool to understand the flow properties and noise generation process, but also as a method to control jet noise.

Role of core excitation in (d ,p ) transfer reactions

NASA Astrophysics Data System (ADS)

Deltuva, A.; Ross, A.; Norvaišas, E.; Nunes, F. M.

2016-10-01

Background: Recent work found that core excitations can be important in extracting structure information from (d ,p ) reactions. Purpose: Our objective is to systematically explore the role of core excitation in (d ,p ) reactions and to understand the origin of the dynamical effects. Method: Based on the particle-rotor model of n +10Be , we generate a number of models with a range of separation energies (Sn=0.1 -5.0 MeV), while maintaining a significant core excited component. We then apply the latest extension of the momentum-space-based Faddeev method, including dynamical core excitation in the reaction mechanism to all orders, to the 10Be(d ,p )11Be -like reactions, and study the excitation effects for beam energies Ed=15 -90 MeV. Results: We study the resulting angular distributions and the differences between the spectroscopic factor that would be extracted from the cross sections, when including dynamical core excitation in the reaction, and that of the original structure model. We also explore how different partial waves affect the final cross section. Conclusions: Our results show a strong beam-energy dependence of the extracted spectroscopic factors that become smaller for intermediate beam energies. This dependence increases for loosely bound systems.

Role of core excitation in ( d , p ) transfer reactions

DOE PAGES

Deltuva, A.; Ross, A.; Norvaišas, E.; ...

2016-10-24

In our recent work we found that core excitations can be important in extracting structure information from (d,p) reactions. Our objective is to systematically explore the role of core excitation in (d,p) reactions and to understand the origin of the dynamical effects. Based on the particle-rotor model of n+Be 10, we generate a number of models with a range of separation energies (S n=0.1–5.0 MeV), while maintaining a significant core excited component. We then apply the latest extension of the momentum-space-based Faddeev method, including dynamical core excitation in the reaction mechanism to all orders, to the Be 10(d,p)Be 11-like reactions,more » and study the excitation effects for beam energies E d=15–90 MeV. We study the resulting angular distributions and the differences between the spectroscopic factor that would be extracted from the cross sections, when including dynamical core excitation in the reaction, and that of the original structure model. We also explore how different partial waves affect the final cross section. Our results show a strong beam-energy dependence of the extracted spectroscopic factors that become smaller for intermediate beam energies. Finally, this dependence increases for loosely bound systems.« less

Excited-State Deactivation of Branched Phthalocyanine Compounds.

PubMed

Zhu, Huaning; Li, Yang; Chen, Jun; Zhou, Meng; Niu, Yingli; Zhang, Xinxing; Guo, Qianjin; Wang, Shuangqing; Yang, Guoqiang; Xia, Andong

2015-12-21

The excited-state relaxation dynamics and chromophore interactions in two phthalocyanine compounds (bis- and trisphthalocyanines) are studied by using steady-state and femtosecond transient absorption spectral measurements, where the excited-state energy-transfer mechanism is explored. By exciting phthalocyanine compounds to their second electronically excited states and probing the subsequent relaxation dynamics, a multitude of deactivation pathways are identified. The transient absorption spectra show the relaxation pathway from the exciton state to excimer state and then back to the ground state in bisphthalocyanine (bis-Pc). In trisphthalocyanine (tris-Pc), the monomeric and dimeric subunits are excited and the excitation energy transfers from the monomeric vibrationally hot S1 state to the exciton state of a pre-associated dimer, with subsequent relaxation to the ground state through the excimer state. The theoretical calculations and steady-state spectra also show a face-to-face conformation in bis-Pc, whereas in tris-Pc, two of the three phthalocyanine branches form a pre-associated face-to-face dimeric conformation with the third one acting as a monomeric unit; this is consistent with the results of the transient absorption experiments from the perspective of molecular structure. The detailed structure-property relationships in phthalocyanine compounds is useful for exploring the function of molecular aggregates in energy migration of natural photosynthesis systems. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photoionization of ground and excited levels of P II

NASA Astrophysics Data System (ADS)

Nahar, Sultana N.

2017-01-01

Photoionization cross section (σPI) of P II, (hν + P II → P III + e), from ground and a large number of excited levels are presented. The study includes the resonant structures and the characteristics of the background in photoionization cross sections. The present calculations were carried out in the Breit-Pauli R-matrix (BPRM) method that includes relativistic effects. The autoionizing resonances are delineated with a fine energy mesh to observe the fine structure effects. A singular resonance, formed by the coupling of channels in fine structure but not allowed in LS coupling, is seen at the ionization threshold of photoionization for the ground and many excited levels. The background cross section is seen enhanced compared to smooth decay for the excited levels. Examples are presented to illustrate the enhanced background cross sections at the energies of the core levels, 4P3/2 and 2D3/2, that are allowed for electric dipole transitions by the core ground level 2 P1/2o. In addition strong Seaton or photo-excitation-of-core (PEC) resonances are found in the photoionization of single valence electron excited levels. Calculations used a close coupling wave function expansion that included 18 fine structure levels of core P III from configurations 3s23p, 3s3p2, 3s23d, 3s24s, 3s24p and 3p3. Photoionization cross sections are presented for all 475 fine structure levels of P II found with n ≤ 10 and l ≤ 9. The present results will provide high precision parameters of various applications involving this less studied ion.

The origin of luminescence from di[4-(4-diphenylaminophenyl)phenyl]sulfone (DAPSF), a blue light emitter: an X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) study.

PubMed

Zhang, Duo; Zhang, Hui; Zhang, Xiaohong; Sham, Tsun-Kong; Hu, Yongfeng; Sun, Xuhui

2016-03-07

The electronic structure and optical properties of di[4-(4-diphenylaminophenyl)phenyl]sulfone (denoted as DAPSF), a highly efficient fluorophor, have been investigated using X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) spectroscopy at excitation energies across the C, N, O K-edges and the sulfur K-edge. The results indicate that the blue luminescence is mainly related to the sulfur functional group.

Structural dynamics verification facility study

NASA Technical Reports Server (NTRS)

Kiraly, L. J.; Hirchbein, M. S.; Mcaleese, J. M.; Fleming, D. P.

1981-01-01

The need for a structural dynamics verification facility to support structures programs was studied. Most of the industry operated facilities are used for highly focused research, component development, and problem solving, and are not used for the generic understanding of the coupled dynamic response of major engine subsystems. Capabilities for the proposed facility include: the ability to both excite and measure coupled structural dynamic response of elastic blades on elastic shafting, the mechanical simulation of various dynamical loadings representative of those seen in operating engines, and the measurement of engine dynamic deflections and interface forces caused by alternative engine mounting configurations and compliances.

Systematic study of fission barriers of excited superheavy nuclei

NASA Astrophysics Data System (ADS)

Sheikh, J. A.; Nazarewicz, W.; Pei, J. C.

2009-07-01

A systematic study of fission-barrier dependence on excitation energy has been performed using the self-consistent finite-temperature Hartree-Fock + BCS (FT-HF + BCS) formalism with the SkM* Skyrme energy density functional. The calculations have been carried out for even-even superheavy nuclei with Z ranging between 110 and 124. For an accurate description of fission pathways, the effects of triaxial and reflection-asymmetric degrees of freedom have been fully incorporated. Our survey demonstrates that the dependence of isentropic fission barriers on excitation energy changes rapidly with particle number, pointing to the importance of shell effects even at large excitation energies characteristic of compound nuclei. The fastest decrease of fission barriers with excitation energy is predicted for deformed nuclei around N=164 and spherical nuclei around N=184 that are strongly stabilized by ground-state shell effects. For the nuclei Pu240 and Fm256, which exhibit asymmetric spontaneous fission, our calculations predict a transition to symmetric fission at high excitation energies owing to the thermal quenching of static reflection asymmetric deformations.

Probabilistic solutions of nonlinear oscillators excited by combined colored and white noise excitations

NASA Astrophysics Data System (ADS)

Siu-Siu, Guo; Qingxuan, Shi

2017-03-01

In this paper, single-degree-of-freedom (SDOF) systems combined to Gaussian white noise and Gaussian/non-Gaussian colored noise excitations are investigated. By expressing colored noise excitation as a second-order filtered white noise process and introducing colored noise as an additional state variable, the equation of motion for SDOF system under colored noise is then transferred artificially to multi-degree-of-freedom (MDOF) system under white noise excitations with four-coupled first-order differential equations. As a consequence, corresponding Fokker-Planck-Kolmogorov (FPK) equation governing the joint probabilistic density function (PDF) of state variables increases to 4-dimension (4-D). Solution procedure and computer programme become much more sophisticated. The exponential-polynomial closure (EPC) method, widely applied for cases of SDOF systems under white noise excitations, is developed and improved for cases of systems under colored noise excitations and for solving the complex 4-D FPK equation. On the other hand, Monte Carlo simulation (MCS) method is performed to test the approximate EPC solutions. Two examples associated with Gaussian and non-Gaussian colored noise excitations are considered. Corresponding band-limited power spectral densities (PSDs) for colored noise excitations are separately given. Numerical studies show that the developed EPC method provides relatively accurate estimates of the stationary probabilistic solutions, especially the ones in the tail regions of the PDFs. Moreover, statistical parameter of mean-up crossing rate (MCR) is taken into account, which is important for reliability and failure analysis. Hopefully, our present work could provide insights into the investigation of structures under random loadings.

On the influence of frequency-dependent elastic properties in vibro-acoustic modelling of porous materials under structural excitation

NASA Astrophysics Data System (ADS)

Van der Kelen, C.; Göransson, P.; Pluymers, B.; Desmet, W.

2014-12-01

The aspects related to modelling the frequency dependence of the elastic properties of air-saturated porous materials have been largely neglected in the past for several reasons. For acoustic excitation of porous materials, the material behaviour can be quite well represented by models where the properties of the solid frame have little influence. Only recently has the importance of the dynamic moduli of the frame come into focus. This is related to a growing interest in the material behaviour due to structural excitation. Two aspects stand out in connection with the elastic-dynamic behaviour. The first is related to methods for the characterisation of the dynamic moduli of porous materials. The second is a perceived lack of numerical methods able to model the complex material behaviour under structural excitation, in particular at higher frequencies. In the current paper, experimental data from a panel under structural excitation, coated with a porous material, are presented. In an attempt to correlate the experimental data to numerical predictions, it is found that the measured quasi-static material parameters do not suffice for an accurate prediction of the measured results. The elastic material parameters are then estimated by correlating the numerical prediction to the experimental data, following the physical behaviour predicted by the augmented Hooke's law. The change in material behaviour due to the frequency-dependent properties is illustrated in terms of the propagation of the slow wave and the shear wave in the porous material.

Study of high-j neutron excitations outside 136Xe

NASA Astrophysics Data System (ADS)

Talwar, R.; Kay, B. P.; Mitchell, A. J.; Adachi, S.; Entwisle, J. P.; Fujita, Y.; Gey, G.; Noji, S.; Ong, H. J.; Schiffer, J. P.; Tamii, A.

2017-09-01

The character of single-neutron excitations outside of N = 82 has been studied using nucleon transfer reactions in terms of the energy centroid of their strength as well as the fragmentation of this strength among the actual states of the nucleus. However, extending the systematic study of the N = 83 isotones to 137Xe has been challenging due to xenon being a gas at room temperature. Though several attempts have been made, a quantitative determination of the spectroscopic factors for the neutron 9/2- and 13/2+ excitations in 137Xe is still lacking. In the present work, we report on a study of the 136Xe(α,3He)137Xe reaction carried out at 100 MeV to probe the l = 5 , 9/2- and l = 6 , 13/2+ single-neutron excitations. The experimental technique and results will be presented discussing them in context of the evolution of these single-neutron excitations and the influence of the tensor interaction on the neutron single-particle states as the proton orbits are filling. This work has been supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Contract Number DE-AC02-06CH11357, the Australian Research Council Discovery Project 120104176, and the UK Science and Technology Facilities.

Faraday waves under time-reversed excitation.

PubMed

Pietschmann, Dirk; Stannarius, Ralf; Wagner, Christian; John, Thomas

2013-03-01

Do parametrically driven systems distinguish periodic excitations that are time mirrors of each other? Faraday waves in a Newtonian fluid are studied under excitation with superimposed harmonic wave forms. We demonstrate that the threshold parameters for the stability of the ground state are insensitive to a time inversion of the driving function. This is a peculiarity of some dynamic systems. The Faraday system shares this property with standard electroconvection in nematic liquid crystals [J. Heuer et al., Phys. Rev. E 78, 036218 (2008)]. In general, time inversion of the excitation affects the asymptotic stability of a parametrically driven system, even when it is described by linear ordinary differential equations. Obviously, the observed symmetry has to be attributed to the particular structure of the underlying differential equation system. The pattern selection of the Faraday waves above threshold, on the other hand, discriminates between time-mirrored excitation functions.

The properties of 4'-N,N-dimethylaminoflavonol in the ground and excited states

NASA Astrophysics Data System (ADS)

Moroz, V. V.; Chalyi, A. G.; Roshal, A. D.

2008-09-01

The mechanism of protonation of 4-N,N-dimethylaminoflavonol and the structure of its protolytic forms in the ground and excited states were studied by electron absorption and fluorescence (steady-state and time-resolved) spectroscopy and with the use of the RM1 quantum-chemical method. A comparison of equilibrium constants and the theoretical enthalpies of formation showed that excitation should be accompanied by the inversion of the basicity of the electron acceptor groups of this compound and, as a consequence, changes in the structure of its monocationic form. An analysis of the spectral parameters of the protolytic 4-N,N-dimethylaminoflavonol forms, however, showed that their structure and the sequence of protonation in the excited state were the same as in the ground state. Changes in the structure of the monocation in the excited state were not observed because of the fast radiationless deactivation of this form and the occurrence of excited state intramolecular proton transfer in aprotic solvents.

Experimental Identification of Electric Field Excitation Mechanisms in a Structural Transition of Tokamak Plasmas

PubMed Central

Kobayashi, T.; Itoh, K.; Ido, T.; Kamiya, K.; Itoh, S.-I.; Miura, Y.; Nagashima, Y.; Fujisawa, A.; Inagaki, S.; Ida, K.; Hoshino, K.

2016-01-01

Self-regulation between structure and turbulence, which is a fundamental process in the complex system, has been widely regarded as one of the central issues in modern physics. A typical example of that in magnetically confined plasmas is the Low confinement mode to High confinement mode (L-H) transition, which is intensely studied for more than thirty years since it provides a confinement improvement necessary for the realization of the fusion reactor. An essential issue in the L-H transition physics is the mechanism of the abrupt “radial” electric field generation in toroidal plasmas. To date, several models for the L-H transition have been proposed but the systematic experimental validation is still challenging. Here we report the systematic and quantitative model validations of the radial electric field excitation mechanism for the first time, using a data set of the turbulence and the radial electric field having a high spatiotemporal resolution. Examining time derivative of Poisson’s equation, the sum of the loss-cone loss current and the neoclassical bulk viscosity current is found to behave as the experimentally observed radial current that excites the radial electric field within a few factors of magnitude. PMID:27489128

Electronic structures and population dynamics of excited states of xanthione and its derivatives

NASA Astrophysics Data System (ADS)

Fedunov, Roman G.; Rogozina, Marina V.; Khokhlova, Svetlana S.; Ivanov, Anatoly I.; Tikhomirov, Sergei A.; Bondarev, Stanislav L.; Raichenok, Tamara F.; Buganov, Oleg V.; Olkhovik, Vyacheslav K.; Vasilevskii, Dmitrii A.

2017-09-01

A new compound, 1,3-dimethoxy xanthione (DXT), has been synthesized and its absorption (stationary and transient) and luminescence spectra have been measured in n-hexane and compared with xanthione (XT) spectra. The pronounced broadening of xanthione vibronic absorption band related to the electronic transition to the second singlet excited state has been observed. Distinctions between the spectra of xanthione and its methoxy derivatives are discussed. Quantum chemical calculations of these compounds in the ground and excited electronic states have been accomplished to clarify the nature of electronic spectra changes due to modification of xanthione by methoxy groups. Appearance of a new absorption band of DXT caused by symmetry changes has been discussed. Calculations of the second excited state structure of xanthione and its methoxy derivatives confirm noticeable charge transfer (about 0.1 of the charge of an electron) from the methoxy group to thiocarbonyl group. Fitting of the transient spectra of XT and DXT has been fulfilled and the time constants of internal conversion S2 →S1 and intersystem crossing S1 →T1 have been determined. A considerable difference between the time constants of internal conversion S2 →S1 in XT and DXT is uncovered.

Mesoscopic structural phase progression in photo-excited VO 2 revealed by time-resolved x-ray diffraction microscopy

DOE PAGES

Zhu, Yi; Cai, Zhonghou; Chen, Pice; ...

2016-02-26

Dynamical phase separation during a solid-solid phase transition poses a challenge for understanding the fundamental processes in correlated materials. Critical information underlying a phase transition, such as localized phase competition, is difficult to reveal by measurements that are spatially averaged over many phase seperated regions. The ability to simultanousely track the spatial and temporal evolution of such systems is essential to understanding mesoscopic processes during a phase transition. Using state-of- the-art time-resolved hard x-ray diffraction microscopy, we directly visualize the structural phase progression in a VO 2 film upon photoexcitation. Following a homogenous in-plane optical excitation, the phase transformation ismore » initiated at discrete sites and completed by the growth of one lattice structure into the other, instead of a simultaneous isotropic lattice symmetry change. The time-dependent x-ray diffraction spatial maps show that the in-plane phase progression in laser-superheated VO 2 is via a displacive lattice transformation as a result of relaxation from an excited monoclinic phase into a rutile phase. The speed of the phase front progression is quantitatively measured, which is faster than the process driven by in-plane thermal diffusion but slower than the sound speed in VO 2. Lastly, the direct visualization of localized structural changes in the time domain opens a new avenue to study mesoscopic processes in driven systems.« less

Mesoscopic structural phase progression in photo-excited VO2 revealed by time-resolved x-ray diffraction microscopy

NASA Astrophysics Data System (ADS)

Zhu, Yi; Cai, Zhonghou; Chen, Pice; Zhang, Qingteng; Highland, Matthew J.; Jung, Il Woong; Walko, Donald A.; Dufresne, Eric M.; Jeong, Jaewoo; Samant, Mahesh G.; Parkin, Stuart S. P.; Freeland, John W.; Evans, Paul G.; Wen, Haidan

2016-02-01

Dynamical phase separation during a solid-solid phase transition poses a challenge for understanding the fundamental processes in correlated materials. Critical information underlying a phase transition, such as localized phase competition, is difficult to reveal by measurements that are spatially averaged over many phase separated regions. The ability to simultaneously track the spatial and temporal evolution of such systems is essential to understanding mesoscopic processes during a phase transition. Using state-of-the-art time-resolved hard x-ray diffraction microscopy, we directly visualize the structural phase progression in a VO2 film upon photoexcitation. Following a homogenous in-plane optical excitation, the phase transformation is initiated at discrete sites and completed by the growth of one lattice structure into the other, instead of a simultaneous isotropic lattice symmetry change. The time-dependent x-ray diffraction spatial maps show that the in-plane phase progression in laser-superheated VO2 is via a displacive lattice transformation as a result of relaxation from an excited monoclinic phase into a rutile phase. The speed of the phase front progression is quantitatively measured, and is faster than the process driven by in-plane thermal diffusion but slower than the sound speed in VO2. The direct visualization of localized structural changes in the time domain opens a new avenue to study mesoscopic processes in driven systems.

Mesoscopic structural phase progression in photo-excited VO2 revealed by time-resolved x-ray diffraction microscopy.

PubMed

Zhu, Yi; Cai, Zhonghou; Chen, Pice; Zhang, Qingteng; Highland, Matthew J; Jung, Il Woong; Walko, Donald A; Dufresne, Eric M; Jeong, Jaewoo; Samant, Mahesh G; Parkin, Stuart S P; Freeland, John W; Evans, Paul G; Wen, Haidan

2016-02-26

Dynamical phase separation during a solid-solid phase transition poses a challenge for understanding the fundamental processes in correlated materials. Critical information underlying a phase transition, such as localized phase competition, is difficult to reveal by measurements that are spatially averaged over many phase separated regions. The ability to simultaneously track the spatial and temporal evolution of such systems is essential to understanding mesoscopic processes during a phase transition. Using state-of-the-art time-resolved hard x-ray diffraction microscopy, we directly visualize the structural phase progression in a VO2 film upon photoexcitation. Following a homogenous in-plane optical excitation, the phase transformation is initiated at discrete sites and completed by the growth of one lattice structure into the other, instead of a simultaneous isotropic lattice symmetry change. The time-dependent x-ray diffraction spatial maps show that the in-plane phase progression in laser-superheated VO2 is via a displacive lattice transformation as a result of relaxation from an excited monoclinic phase into a rutile phase. The speed of the phase front progression is quantitatively measured, and is faster than the process driven by in-plane thermal diffusion but slower than the sound speed in VO2. The direct visualization of localized structural changes in the time domain opens a new avenue to study mesoscopic processes in driven systems.

Get excited: reappraising pre-performance anxiety as excitement.

PubMed

Brooks, Alison Wood

2014-06-01

Individuals often feel anxious in anticipation of tasks such as speaking in public or meeting with a boss. I find that an overwhelming majority of people believe trying to calm down is the best way to cope with pre-performance anxiety. However, across several studies involving karaoke singing, public speaking, and math performance, I investigate an alternative strategy: reappraising anxiety as excitement. Compared with those who attempt to calm down, individuals who reappraise their anxious arousal as excitement feel more excited and perform better. Individuals can reappraise anxiety as excitement using minimal strategies such as self-talk (e.g., saying "I am excited" out loud) or simple messages (e.g., "get excited"), which lead them to feel more excited, adopt an opportunity mind-set (as opposed to a threat mind-set), and improve their subsequent performance. These findings suggest the importance of arousal congruency during the emotional reappraisal process. PsycINFO Database Record (c) 2014 APA, all rights reserved.

Coded excitation ultrasonic needle tracking: An in vivo study.

PubMed

Xia, Wenfeng; Ginsberg, Yuval; West, Simeon J; Nikitichev, Daniil I; Ourselin, Sebastien; David, Anna L; Desjardins, Adrien E

2016-07-01

excitation, and they were visually absent with Golay coded excitation. The spatial tracking accuracy was unaffected by coded excitation. Coded excitation is a viable method for improving the SNR in ultrasonic tracking without compromising spatial accuracy. This method provided SNR increases that are consistent with theoretical expectations, even in the presence of physiological motion. With the ultrasonic tracking system in this study, the SNR increases will have direct clinical implications in a broad range of interventional procedures by improving visibility of medical devices at large depths.

Entanglement entropy for (3+1)-dimensional topological order with excitations

NASA Astrophysics Data System (ADS)

Wen, Xueda; He, Huan; Tiwari, Apoorv; Zheng, Yunqin; Ye, Peng

2018-02-01

Excitations in (3+1)-dimensional [(3+1)D] topologically ordered phases have very rich structures. (3+1)D topological phases support both pointlike and stringlike excitations, and in particular the loop (closed string) excitations may admit knotted and linked structures. In this work, we ask the following question: How do different types of topological excitations contribute to the entanglement entropy or, alternatively, can we use the entanglement entropy to detect the structure of excitations, and further obtain the information of the underlying topological order? We are mainly interested in (3+1)D topological order that can be realized in Dijkgraaf-Witten (DW) gauge theories, which are labeled by a finite group G and its group 4-cocycle ω ∈H4[G ;U(1 ) ] up to group automorphisms. We find that each topological excitation contributes a universal constant lndi to the entanglement entropy, where di is the quantum dimension that depends on both the structure of the excitation and the data (G ,ω ) . The entanglement entropy of the excitations of the linked/unlinked topology can capture different information of the DW theory (G ,ω ) . In particular, the entanglement entropy introduced by Hopf-link loop excitations can distinguish certain group 4-cocycles ω from the others.

Excitation Dependent Phosphorous Property and New Model of the Structured Green Luminescence in ZnO

NASA Astrophysics Data System (ADS)

Ye, Honggang; Su, Zhicheng; Tang, Fei; Wang, Mingzheng; Chen, Guangde; Wang, Jian; Xu, Shijie

2017-02-01

The copper induced green luminescence (GL) with two sets of fine structures in ZnO crystal has been found for several decades (i.e., R. Dingle, Phys. Rev. Lett. 23, 579 (1969)), but the physical origin of the doublet still remains as an open question up to now. In this paper, we provide new insight into the mechanism of the structured GL band in terms of new experimental findings and theoretical calculations. It is found, for the first time, that the GL signal exhibits persistent afterglow for tens of minutes after the switch-off of below-band-gap excitation light but it cannot occur under above-band-gap excitation. Such a phosphorous property may be interpreted as de-trapping and feeding of electrons from a shallow trapping level via the conduction band to the Cu-related luminescence centers where the Cu3+ ion is proposed to work as the final state of the GL emission. From first-principles calculation, such a Cu3+ ion in wurtzite ZnO prefers a high spin 3d8 state with two non-degenerated half-filled orbitals due to the Jahn-Teller effect, probably leading to the double structures in photoluminescence spectrum. Therefore, this model gives a comprehensively new understanding on the mechanism of the structured GL band in ZnO.

The excitation of OH by H2 revisited - I: fine-structure resolved rate coefficients

NASA Astrophysics Data System (ADS)

Kłos, J.; Ma, Q.; Dagdigian, P. J.; Alexander, M. H.; Faure, A.; Lique, F.

2017-11-01

Observations of OH in molecular clouds provide crucial constraints on both the physical conditions and the oxygen and water chemistry in these clouds. Accurate modelling of the OH emission spectra requires the calculation of rate coefficients for excitation of OH by collisions with the most abundant collisional partner in the molecular clouds, namely the H2 molecule. We report here theoretical calculations for the fine-structure excitation of OH by H2 (both para- and ortho-H2) using a recently developed highly accurate potential energy surface. Full quantum close coupling rate coefficients are provided for temperatures ranging from 10 to 150 K. Propensity rules are discussed and the new OH-H2 rate coefficients are compared to the earlier values that are currently used in astrophysical modelling. Significant differences were found: the new rate coefficients are significantly larger. As a first application, we simulate the excitation of OH in typical cold molecular clouds and star-forming regions. The new rate coefficients predict substantially larger line intensities. As a consequence, OH abundances derived from observations will be reduced from the values predicted by the earlier rate coefficients.

Ab initio study of excited state electronic circular dichroism. Two prototype cases: methyl oxirane and R-(+)-1,1'-bi(2-naphthol).

PubMed

Rizzo, Antonio; Vahtras, Olav

2011-06-28

A computational approach to the calculation of excited state electronic circular dichroism (ESECD) spectra of chiral molecules is discussed. Frequency dependent quadratic response theory is employed to compute the rotatory strength for transitions between excited electronic states, by employing both a magnetic gauge dependent and a (velocity-based) magnetic gauge independent approach. Application is made to the lowest excited states of two prototypical chiral molecules, propylene oxide, also known as 1,2-epoxypropane or methyl oxirane, and R-(+)-1,1'-bi(2-naphthol), or BINOL. The dependence of the rotatory strength for transitions between the lowest three excited states of methyl oxirane upon the quality and extension of the basis set is analyzed, by employing a hierarchy of correlation consistent basis sets. Once established that basis sets of at least triple zeta quality, and at least doubly augmented, are sufficient to ensure sufficiently converged results, at least at the Hartree-Fock self-consistent field (HF-SCF) level, the rotatory strengths for all transitions between the lowest excited electronic states of methyl oxirane are computed and analyzed, employing HF-SCF, and density functional theory (DFT) electronic structure models. For DFT, both the popular B3LYP and its recently highly successful CAM-B3LYP extension are exploited. The strong dependence of the spectra upon electron correlation is highlighted. A HF-SCF and DFT study is carried out also for BINOL, a system where excited states show the typical pairing structure arising from the interaction of the two monomeric moieties, and whose conformational changes following photoexcitation were studied recently with via time-resolved CD.

Vibrational structure of the S 2 (1B u) excited state of diphenyloctatetraene observed by femtosecond stimulated Raman spectroscopy

NASA Astrophysics Data System (ADS)

Kukura, Philipp; McCamant, David W.; Davis, Paul H.; Mathies, Richard A.

2003-11-01

Femtosecond time-resolved stimulated Raman spectroscopy (FSRS) is used to study the vibrational structure and dynamics of the S 2 state of diphenyloctatetraene. Strong vibrational features at 1184, 1259 and 1578 cm -1 whose linewidths are determined by the S 2 electronic lifetime are observed at early times after photoexcitation at 397 nm. Kinetic analysis of the integrated Raman intensities as well as the transient absorption reveals an exponential decay of the S 2 state on the order of 100 fs. These results demonstrate the ability of FSRS to study the vibrational structure of excited state and chemical reaction dynamics on the femtosecond timescale.

Spectroscopic study of excitations in pi-conjugated polymers

NASA Astrophysics Data System (ADS)

Yang, Cungeng

This dissertation deals with spin-physics of photo excitations in pi-conjugated polymers. Optical and magneto-optical spectroscopies, including continuous wave and time-resolved photo-induced absorption, photoluminescence, electroluminescence, and their optically detected magnetic resonance, were used to study steady state and transient photogeneration, energy transfer, spin relaxation, and spin dependent recombination process in the time domain from tens of nanoseconds to tens of milliseconds in polymer materials including regio-random poly (3-hexyl-thiophene-2,5-diyl), regio-regular poly (3-hexyl-thiophene-2,5-diyl), poly (9,9-dioctyl-fluorenyl-2,7-diyl), poly (poly (2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylene vinylene) of various morphologies, and transition metal complex poly (Pt-quinoxene). Our studies provided the tools to clarify the physical pictures regarding two types of long-lived photoexcitations, namely polarons (both germinate polaron-pairs, and unpaired polarons) and triplet excitons, which are the major excitations in these exotic semiconductors in electrical and optical related applications. From measurements of transient fluorescence and transient fluorescence detected magnetic resonance we show that photogenerated geminate polaron pairs live up to hundreds of microseconds following laser pulsed excitation. This conclusion is in agreement with the delayed formation of triplet excitons that we measured by transient photoinduced absorption. It also agrees with the weak spin-lattice relaxation rate in polymers that we measured using the optically detected magnetic resonance dynamic in thin films and organic light emitting devices. Randomly captured nongeminate polaron pairs were shown to be the major source of optically detected magnetic resonance signal at steady, state. We found that the dynamics and magnitude of the signal depend on the spin-relaxation rate, generation rate and decay rate of the geminate pairs and nongeminate pairs. Importantly we

Characteristics of Excitable Dog Behavior Based on Owners’ Report from a Self-Selected Study

PubMed Central

Shabelansky, Anastasia; Dowling-Guyer, Seana

2016-01-01

Simple Summary This study provides information about owners’ experiences with their dogs’ excitable behavior. We found that certain daily scenarios tended to prompt excitable behavior. The majority of owners in this self-selected sample were very frustrated with their excitable dog. Many dogs in the sample had other behavior problems. Abstract Past research has found that excitable dog behavior is prevalent among sheltered and owned dogs and many times is a reason for canine relinquishment. In spite of its prevalence in the canine population, excitable behavior is relatively unstudied in the scientific literature. The intent of this research was to understand the experience of owners of excitable dogs through the analysis of self-administered online questionnaires completed by owners as part of another study. We found that certain daily scenarios tended to prompt excitable behavior, with excitability most common when the owner or other people came to the dog’s home. All owners experienced some level of frustration with their dog’s excitable behavior, with the majority being very frustrated. Many dogs in the sample had other behavior problems, with disobedient, destructive, chasing and barking behaviors being the most commonly reported. Other characteristics of excitable dogs also are discussed. Although the ability to generalize from these results is likely limited, due to targeted recruitment and selection of owners of more excitable dogs, this research provides valuable insights into the owner’s experience of excitable behavior. We hope this study prompts more research into canine excitable behavior which would expand our understanding of this behavior and help behaviorists, veterinarians, and shelters develop tools for managing it, as well as provide better education to owners of excitable dogs. PMID:26999222

Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction

DOE PAGES

Basuroy, Krishnayan; Chen, Yang; Sarkar, Sounak; ...

2017-03-09

The structural changes accompanying the excitation of the luminescent dibromobenzene derivative, 1,4-dibromo-2,5-bis(octyloxy)benzene, have been measured by in-house monochromatic time-resolved (TR) diffraction at 90 K. Results show an increment of the very short intermolecular Br•••Br contact distance from 3.290 Å to 3.380 Å. These calculations show the Br…Br interaction to be strongly repulsive in both the Ground and Excited states but significantly relaxed by the lengthening of the contact distance on excitation. The stability of the crystals is attributed to the many weak C-H···Br and C-H···π intermolecular interactions. Our study described is the first practical application of In-House Time-Resolved diffraction, mademore » possible by the continuing increase in the brightness of X-ray sources and the sensitivity of our detectors.« less

Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Basuroy, Krishnayan; Chen, Yang; Sarkar, Sounak

The structural changes accompanying the excitation of the luminescent dibromobenzene derivative, 1,4-dibromo-2,5-bis(octyloxy)benzene, have been measured by in-house monochromatic time-resolved (TR) diffraction at 90 K. Results show an increment of the very short intermolecular Br•••Br contact distance from 3.290 Å to 3.380 Å. These calculations show the Br…Br interaction to be strongly repulsive in both the Ground and Excited states but significantly relaxed by the lengthening of the contact distance on excitation. The stability of the crystals is attributed to the many weak C-H···Br and C-H···π intermolecular interactions. Our study described is the first practical application of In-House Time-Resolved diffraction, mademore » possible by the continuing increase in the brightness of X-ray sources and the sensitivity of our detectors.« less

Electronic excitations in finite and infinite polyenes

NASA Astrophysics Data System (ADS)

Tavan, Paul; Schulten, Klaus

1987-09-01

We study electronic excitations in long polyenes, i.e., in one-dimensional strongly correlated electron systems which are neither infinite nor small. The excitations are described within Hubbard and Pariser-Parr-Pople (PPP) models by means of a multiple-reference double-excitation expansion [P. Tavan and K. Schulten, J. Chem. Phys. 85, 6602 (1986)]. We find that quantized ``transition'' momenta can be assigned to electronic excitations in finite chains. These momenta link excitation energies of finite chains to dispersion relations of infinite chains, i.e., they bridge the gap between finite and infinite systems. A key result is the following: Excitation energies E in polyenes with N carbon atoms are described very accurately by the formula Eβ=ΔEβ0+αβk(N)q, q=1,2,..., where β denotes the excitation class, ΔEβ0 the energy gap in the infinite system [αβk(N)>0], and k(N) the elementary transition momentum. The parameters ΔEβ0 and αβ are determined for covalent and ionic excitations in alternating and nonalternating polyenes. The covalent excitations are combinations of triplet excitations T, i.e., T, TT, TTT, . . . . The lowest singlet excitations in the infinite polyene, e.g., in polyacetylene or polydiacetylene, are TT states. Available evidence proves that these states can dissociate into separate triplets. The bond structure of TT states is that of a neutral soliton-antisoliton pair. The level density of TT states in long polyenes is high enough to allow dissociation into separate solitons.

Coherent vs Incoherent Emission from Semiconductor Structures after Resonant Femtosecond Excitation

NASA Astrophysics Data System (ADS)

Gurioli, Massimo; Bogani, Franco; Ceccherini, Simone; Colocci, Marcello

1997-04-01

We show that an interferometric correlation measurement with fs time resolution provides an unambiguous discrimination between coherent and incoherent emission after resonant femtosecond excitation. The experiment directly probes the most important difference between the two emissions, that is, the phase correlation with the excitation pulse. The comparison with cw frequency resolved measurements demonstrates that the relationship between coherent and incoherent emission is similar under femtosecond and steady-state excitation.

An Ab Initio Exciton Model Including Charge-Transfer Excited States

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Xin; Parrish, Robert M.; Liu, Fang

Here, the Frenkel exciton model is a useful tool for theoretical studies of multichromophore systems. We recently showed that the exciton model could be used to coarse-grain electronic structure in multichromophoric systems, focusing on singly excited exciton states. However, our previous implementation excluded charge-transfer excited states, which can play an important role in light-harvesting systems and near-infrared optoelectronic materials. Recent studies have also emphasized the significance of charge-transfer in singlet fission, which mediates the coupling between the locally excited states and the multiexcitonic states. In this work, we report on an ab initio exciton model that incorporates charge-transfer excited statesmore » and demonstrate that the model provides correct charge-transfer excitation energies and asymptotic behavior. Comparison with TDDFT and EOM-CC2 calculations shows that our exciton model is robust with respect to system size, screening parameter, and different density functionals. Inclusion of charge-transfer excited states makes the exciton model more useful for studies of singly excited states and provides a starting point for future construction of a model that also includes double-exciton states.« less

An Ab Initio Exciton Model Including Charge-Transfer Excited States

DOE PAGES

Li, Xin; Parrish, Robert M.; Liu, Fang; ...

2017-06-15

Here, the Frenkel exciton model is a useful tool for theoretical studies of multichromophore systems. We recently showed that the exciton model could be used to coarse-grain electronic structure in multichromophoric systems, focusing on singly excited exciton states. However, our previous implementation excluded charge-transfer excited states, which can play an important role in light-harvesting systems and near-infrared optoelectronic materials. Recent studies have also emphasized the significance of charge-transfer in singlet fission, which mediates the coupling between the locally excited states and the multiexcitonic states. In this work, we report on an ab initio exciton model that incorporates charge-transfer excited statesmore » and demonstrate that the model provides correct charge-transfer excitation energies and asymptotic behavior. Comparison with TDDFT and EOM-CC2 calculations shows that our exciton model is robust with respect to system size, screening parameter, and different density functionals. Inclusion of charge-transfer excited states makes the exciton model more useful for studies of singly excited states and provides a starting point for future construction of a model that also includes double-exciton states.« less

An Ab Initio Exciton Model Including Charge-Transfer Excited States.

PubMed

Li, Xin; Parrish, Robert M; Liu, Fang; Kokkila Schumacher, Sara I L; Martínez, Todd J

2017-08-08

The Frenkel exciton model is a useful tool for theoretical studies of multichromophore systems. We recently showed that the exciton model could be used to coarse-grain electronic structure in multichromophoric systems, focusing on singly excited exciton states [ Acc. Chem. Res. 2014 , 47 , 2857 - 2866 ]. However, our previous implementation excluded charge-transfer excited states, which can play an important role in light-harvesting systems and near-infrared optoelectronic materials. Recent studies have also emphasized the significance of charge-transfer in singlet fission, which mediates the coupling between the locally excited states and the multiexcitonic states. In this work, we report on an ab initio exciton model that incorporates charge-transfer excited states and demonstrate that the model provides correct charge-transfer excitation energies and asymptotic behavior. Comparison with TDDFT and EOM-CC2 calculations shows that our exciton model is robust with respect to system size, screening parameter, and different density functionals. Inclusion of charge-transfer excited states makes the exciton model more useful for studies of singly excited states and provides a starting point for future construction of a model that also includes double-exciton states.

Electron impact excitation of tin

NASA Astrophysics Data System (ADS)

Sharma, Lalita; Bharti, Swati; Srivastava, Rajesh

2017-05-01

We study the electron impact excitation of the fine-structure levels of the ground state configuration 5p2 to the excited states of the configuration 5p6s in tin atom. These calculations have been carried out in the jj coupling scheme using the relativistic distorted-wave method. Results for differential cross section are reported at incident electron energies 20, 50, 80 and 100 eV while integrated cross sections are presented in the incident electron energy range of 5 to 100 eV. Contribution to the Topical Issue: "Low-Energy Interactions related to Atmospheric and Extreme Conditions", edited by S. Ptasinska, M. Smialek-Telega, A. Milosavljevic and B. Sivaraman.

Glauber-theory approach for molecular vibrational excitations

NASA Technical Reports Server (NTRS)

Chang, T. N.; Poe, R. T.; Ray, P.

1973-01-01

Molecular vibrational excitations by charged-particle impact are investigated within the Glauber-theory approach. Theoretical results for electron-H2 scattering give good agreement with experimental data. We study the physical effects responsible for the structures in the differential cross section.

Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra

NASA Astrophysics Data System (ADS)

Mebel, Alexander M.; Lin, Sheng-Hsien

1997-03-01

The geometries, vibrational frequencies and vertical and adiabatic excitation energies of the excited valence and Rydberg 3s, 3p, 3d, and 4s electronic states of CH 3 have been studied using ab initio molecular orbital multiconfigurational SCF (CASSCF), internally contracted multireference configuration interaction (MRCI) and equation-of-motion coupled cluster (EOM-CCSD) methods. The vibronic spectra are determined through the calculation of Franck-Condon factors. Close agreement between theory and experiment has been found for the excitation energies, vibrational frequencies and vibronic spectra. The adiabatic excitation energies of the Rydberg 3s B˜ 2A' 1 and 3p 2 2A″ 2 states are calculated to be 46435 and 60065 cm -1 compared to the experimental values of 46300 and 59972 cm -1, respectively. The valence 2A″ excited state of CH 3 has been found to have a pyramidal geometry within C s symmetry and to be adiabatically by 97 kcal/mol higher in energy than the ground state. The 2A″ state is predicted to be stable by 9 and 13 kcal/mol with respect to H 2 and H elimination.

Ultrafast internal conversion dynamics of highly excited pyrrole studied with VUV/UV pump probe spectroscopy.

PubMed

Horton, Spencer L; Liu, Yusong; Chakraborty, Pratip; Matsika, Spiridoula; Weinacht, Thomas

2017-02-14

We study the relaxation dynamics of pyrrole after excitation with an 8 eV pump pulse to a state just 0.2 eV below the ionization potential using vacuum ultraviolet/ultraviolet pump probe spectroscopy. Our measurements in conjunction with electronic structure calculations indicate that pyrrole undergoes rapid internal conversion to the ground state in less than 300 fs. We find that internal conversion to the ground state dominates over dissociation.

Contextual fear conditioning depresses infralimbic excitability.

PubMed

Soler-Cedeño, Omar; Cruz, Emmanuel; Criado-Marrero, Marangelie; Porter, James T

2016-04-01

Patients with posttraumatic stress disorder (PTSD) show hypo-active ventromedial prefrontal cortices (vmPFC) that correlate with their impaired ability to discriminate between safe and dangerous contexts and cues. Previously, we found that auditory fear conditioning depresses the excitability of neurons populating the homologous structure in rodents, the infralimbic cortex (IL). However, it is undetermined if IL depression was mediated by the cued or contextual information. The objective of this study was to examine whether contextual information was sufficient to depress IL neuronal excitability. After exposing rats to context-alone, pseudoconditioning, or contextual fear conditioning, we used whole-cell current-clamp recordings to examine the excitability of IL neurons in prefrontal brain slices. We found that contextual fear conditioning reduced IL neuronal firing in response to depolarizing current steps. In addition, neurons from contextual fear conditioned animals showed increased slow afterhyperpolarization potentials (sAHPs). Moreover, the observed changes in IL excitability correlated with contextual fear expression, suggesting that IL depression may contribute to the encoding of contextual fear. Copyright © 2016 Elsevier Inc. All rights reserved.

Sweep excitation with order tracking: A new tactic for beam crack analysis

NASA Astrophysics Data System (ADS)

Wei, Dongdong; Wang, KeSheng; Zhang, Mian; Zuo, Ming J.

2018-04-01

Crack detection in beams and beam-like structures is an important issue in industry and has attracted numerous investigations. A local crack leads to global system dynamics changes and produce non-linear vibration responses. Many researchers have studied these non-linearities for beam crack diagnosis. However, most reported methods are based on impact excitation and constant frequency excitation. Few studies have focused on crack detection through external sweep excitation which unleashes abundant dynamic characteristics of the system. Together with a signal resampling technique inspired by Computed Order Tracking, this paper utilize vibration responses under sweep excitations to diagnose crack status of beams. A data driven method for crack depth evaluation is proposed and window based harmonics extracting approaches are studied. The effectiveness of sweep excitation and the proposed method is experimentally validated.

Magnetic structure and excitation spectrum of the hyperhoneycomb Kitaev magnet β -Li2IrO3

NASA Astrophysics Data System (ADS)

Ducatman, Samuel; Rousochatzakis, Ioannis; Perkins, Natalia B.

2018-03-01

We present a theoretical study of the static and dynamical properties of the three-dimensional, hyperhoneycomb Kitaev magnet β -Li2IrO3 . We argue that the observed incommensurate order can be understood in terms of a long-wavelength twisting of a nearby commensurate period-3 state, with the same key qualitatively features. The period-3 state shows very different structure when either the Kitaev interaction K or the off-diagonal exchange anisotropy Γ is dominant. A comparison of the associated static spin structure factors with reported scattering experiments in zero and finite fields gives strong evidence that β -Li2IrO3 lies in the regime of dominant Kitaev coupling, and that the Heisenberg exchange J is much weaker than both K and Γ . Our predictions for the magnon excitation spectra, the dynamical spin structure factors, and their polarization dependence provide additional distinctive fingerprints that can be checked experimentally.

Excitation of high density surface plasmon polariton vortex array

NASA Astrophysics Data System (ADS)

Kuo, Chun-Fu; Chu, Shu-Chun

2018-06-01

This study proposes a method to excite surface plasmon polariton (SPP) vortex array of high spatial density on metal/air interface. A doughnut vector beam was incident at four rectangularly arranged slits to excite SPP vortex array. The doughnut vector beam used in this study has the same field intensity distribution as the regular doughnut laser mode, TEM01* mode, but a different polarization distribution. The SPP vortex array is achieved through the matching of both polarization state and phase state of the incident doughnut vector beam with the four slits. The SPP field distribution excited in this study contains stable array-distributed time-varying optical vortices. Theoretical derivation, analytical calculation and numerical simulation were used to discuss the characteristics of the induced SPP vortex array. The period of the SPP vortex array induced by the proposed method had only half SPPs wavelength. In addition, the vortex number in an excited SPP vortex array can be increased by enlarging the structure.

{ital L}=1 Excitation in the Halo Nucleus {sup 11}Li

DOE Office of Scientific and Technical Information (OSTI.GOV)

Korsheninnikov, A.; Fukuda, S.; Ito, S.

Collisions of {sup 11}Li+p at 68AMeV have been studied by correlational measurements. An excited state of {sup 11}Li at E{sup {asterisk}}{approx_equal}1.3MeV was observed. The measured angular distributions show the dipole nature of the excitation of the 1.3-MeV peak. The structure of the excited states and the ground state of {sup 11}Li is discussed. {copyright} {ital 1997} {ital The American Physical Society}

Acoustically excited heated jets. 1: Internal excitation

NASA Technical Reports Server (NTRS)

Lepicovsky, J.; Ahuja, K. K.; Brown, W. H.; Salikuddin, M.; Morris, P. J.

1988-01-01

The effects of relatively strong upstream acoustic excitation on the mixing of heated jets with the surrounding air are investigated. To determine the extent of the available information on experiments and theories dealing with acoustically excited heated jets, an extensive literature survey was carried out. The experimental program consisted of flow visualization and flowfield velocity and temperature measurements for a broad range of jet operating and flow excitation conditions. A 50.8-mm-diam nozzle was used for this purpose. Parallel to the experimental study, an existing theoretical model of excited jets was refined to include the region downstream of the jet potential core. Excellent agreement was found between theory and experiment in moderately heated jets. However, the theory has not yet been confirmed for highly heated jets. It was found that the sensitivity of heated jets to upstream acoustic excitation varies strongly with the jet operating conditions and that the threshold excitation level increases with increasing jet temperature. Furthermore, the preferential Strouhal number is found not to change significantly with a change of the jet operating conditions. Finally, the effects of the nozzle exit boundary layer thickness appear to be similar for both heated and unheated jets at low Mach numbers.

Collisional quenching dynamics and reactivity of highly vibrationally excited molecules

NASA Astrophysics Data System (ADS)

Liu, Qingnan

Highly excited molecules are of great importance in many areas of chemistry including photochemistry. The dynamics of highly excited molecules are affected by the intermolecular and intramolecular energy flow between many different kinds of motions. This thesis reports investigations of the collisional quenching and reactivity of highly excited molecules aimed at understanding the dynamics of highly excited molecules. There are several important questions that are addressed. How do molecules behave in collisions with a bath gas? How do the energy distributions evolve in time? How is the energy partitioned for both the donor and bath molecules after collisions? How do molecule structure, molecule state density and intermolecular potential play the role during collisional energy transfer? To answer these questions, collisional quenching dynamics and reactivity of highly vibrationally excited azabenzene molecules have been studied using high resolution transient IR absorption spectroscopy. The first study shows that the alkylated pyridine molecules that have been excited with Evib˜38,800 cm-1 impart less rotational and translational energy to CO2 than pyridine does. Comparison between the alkylated donors shows that the strong collisions are reduced for donors with longer alkyl chains by lowering the average energy per mode but longer alkyl chain have increased flexibility and higher state densities that enhance energy loss via strong collisions. In the second study, the role of hydrogen bonding interactions is explored in collision of vibrationally excited pyridines with H2O. Substantial difference in the rotational energy of H 2O is correlated with the structure of the global energy minimum. A torque-inducing mechanism is proposed that involves directed movement of H 2O between sigma and pi-hydrogen bonding interactions with the pyridine donors. In the third study the dynamics of strong and weak collisions for highly vibrationally excited methylated pyridine

Vibration Analysis of Composite Laminate Plate Excited by Piezoelectric Actuators

PubMed Central

Her, Shiuh-Chuan; Lin, Chi-Sheng

2013-01-01

Piezoelectric materials can be used as actuators for the active vibration control of smart structural systems. In this work, piezoelectric patches are surface bonded to a composite laminate plate and used as vibration actuators. A static analysis based on the piezoelectricity and elasticity is conducted to evaluate the loads induced by the piezoelectric actuators to the host structure. The loads are then employed to develop the vibration response of a simply supported laminate rectangular plate excited by piezoelectric patches subjected to time harmonic voltages. An analytical solution of the vibration response of a simply supported laminate rectangular plate under time harmonic electrical loading is obtained and compared with finite element results to validate the present approach. The effects of location and exciting frequency of piezoelectric actuators on the vibration response of the laminate plate are investigated through a parametric study. Numerical results show that modes can be selectively excited, leading to structural vibration control. PMID:23529121

Vibration control in smart coupled beams subjected to pulse excitations

NASA Astrophysics Data System (ADS)

Pisarski, Dominik; Bajer, Czesław I.; Dyniewicz, Bartłomiej; Bajkowski, Jacek M.

2016-10-01

In this paper, a control method to stabilize the vibration of adjacent structures is presented. The control is realized by changes of the stiffness parameters of the structure's couplers. A pulse excitation applied to the coupled adjacent beams is imposed as the kinematic excitation. For such a representation, the designed control law provides the best rate of energy dissipation. By means of a stability analysis, the performance in different structural settings is studied. The efficiency of the proposed strategy is examined via numerical simulations. In terms of the assumed energy metric, the controlled structure outperforms its passively damped equivalent by over 50 percent. The functionality of the proposed control strategy should attract the attention of practising engineers who seek solutions to upgrade existing damping systems.

Light, Molecules, Action: Broadband UV-visible transient absorption studies of excited state dynamics in photoactive molecules

NASA Astrophysics Data System (ADS)

Sension, Roseanne

2015-03-01

Broadband UV-visible transient absorption spectroscopy provides a powerful tool for the investigation of the dynamics of electronically excited molecules in the condensed phase. It is now possible to obtain transient spectra on a routine basis spanning the range from <300 nm to >800 nm with femtosecond time resolution. We have used this method to study the excited state dynamics and internal conversion of a range of molecular systems with potential application as optically powered molecular devices. The cyclohexadiene ring-opening reaction is the basis of a class of important optical switches and of the biological synthesis of previtamin D3. The ring-opening reaction is ultrafast, occurring on a picosecond to subpicosecond times scale depending on the substituents around the ring. These have a significant influence on the dynamics and electronic structure of the electronically excited molecule. The results of a series of transient absorption studies as a function of chromophore substitution and environment will be presented. The cis-trans isomerization of polyene molecules, especially substituted stilbenes, provides another important class of functional molecular transformations. Again the excited state dynamics can be ultrafast with photochemistry controlled by details of the curve crossings and conical intersections. Finally the photochemistry of the even more complex set of cobalamin chromophores with a photoalabile C-Co bond has been proposed as a tool for spatio-temporal control of molecule delivery including drug delivery. Broadband transient absorption spectroscopy has been used to investigate the ultrafast electronic dynamics of a range of cobalamin compounds with comparison to detailed theoretical calculations. The results of these studies will be presented.

Excitations in confined helium

NASA Astrophysics Data System (ADS)

Apaja, V.; Krotscheck, E.

2003-05-01

We design models for helium in matrices such as aerogel, Vycor, or Geltech from a manifestly microscopic point of view. For that purpose, we calculate the dynamic structure function of 4He on Si substrates and between two Si walls as a function of energy, momentum transfer, and the scattering angle. The angle-averaged results are in good agreement with the neutron scattering data; the remaining differences can be attributed to the simplified model used here for the complex pore structure of the materials. A focus of the present work is the detailed identification of coexisting layer modes and bulklike excitations, and, in the case of thick films, ripplon excitations. Involving essentially two-dimensional motion of atoms, the layer modes are sensitive to the scattering angle.

Design study and performance analysis of 12S-14P field excitation flux switching motor for hybrid electric vehicle

NASA Astrophysics Data System (ADS)

Husin, Zhafir Aizat; Sulaiman, Erwan; Khan, Faisal; Mazlan, Mohamed Mubin Aizat; Othman, Syed Muhammad Naufal Syed

2015-05-01

This paper presents a new structure of 12slot-14pole field excitation flux switching motor (FEFSM) as an alternative candidate of non-Permanent Magnet (PM) machine for HEV drives. Design study, performance analysis and optimization of field excitation flux switching machine with non-rare-earth magnet for hybrid electric vehicle drive applications is done. The stator of projected machine consists of iron core made of electromagnetic steels, armature coils and field excitation coils as the only field mmf source. The rotor is consisted of only stack of iron and hence, it is reliable and appropriate for high speed operation. The design target is a machine with the maximum torque, power and power density, more than 210Nm, 123kW and 3.5kW/kg, respectively, which competes with interior permanent magnet synchronous machine used in existing hybrid electric vehicle. Some design feasibility studies on FEFSM based on 2D-FEA and deterministic optimization method will be applied to design the proposed machine.

Excited states of protonated DNA/RNA bases.

PubMed

Berdakin, Matias; Féraud, Géraldine; Dedonder-Lardeux, Claude; Jouvet, Christophe; Pino, Gustavo A

2014-06-14

The very fast relaxation of the excited states to the ground state in DNA/RNA bases is a necessary process to ensure the photostability of DNA and its rate is highly sensitive to the tautomeric form of the bases. Protonation of the bases plays a crucial role in many biochemical and mutagenic processes and it can result in alternative tautomeric structures, thus making important the knowledge of the properties of protonated DNA/RNA bases. We report here the photofragmentation spectra of the five protonated DNA/RNA bases. In most of the cases, the spectra exhibit well resolved vibrational structures, with broad bands associated with very short excited state lifetimes. The similarity between the electronic properties, e.g. excitation energy and very short excited state lifetimes for the canonical tautomers of protonated and neutral DNA bases, suggests that the former could also play an important role in the photostability mechanism of DNA.

Experimental and analytical study on vibration control effects of eddy-current tuned mass dampers under seismic excitations

NASA Astrophysics Data System (ADS)

Lu, Zheng; Huang, Biao; Zhang, Qi; Lu, Xilin

2018-05-01

Eddy-current tuned mass dampers (EC-TMDs) are non-contacting passive control devices and are developed on the basis of conventional tuned mass dampers. They comprise a solid mass, a stiffness element, and a damping element, wherein the damping mechanism originates from eddy currents. By relative motion between a non-magnetic conductive metal and a permanent magnet in a dynamic system, a time-varying magnetic field is induced in the conductor, thereby generating eddy currents. The eddy currents induce a magnetic field with opposite polarity, causing repulsive forces, i.e., damping forces. This technology can overcome the drawbacks of conventional tuned mass dampers, such as limited service life, deterioration of mechanical properties, and undesired additional stiffness. The experimental and analytical study of this system installed on a multi-degree-of-freedom structure is presented in this paper. A series of shaking table tests were conducted on a five-story steel-frame model with/without an EC-TMD to evaluate the effectiveness and performance of the EC-TMD in suppressing the vibration of the model under seismic excitations. The experimental results show that the EC-TMD can effectively reduce the displacement response, acceleration response, interstory drift ratio, and maximum strain of the columns under different earthquake excitations. Moreover, an analytical method was proposed on the basis of electromagnetic and structural dynamic theories. A comparison between the test and simulation results shows that the simulation method can be used to estimate the response of structures with an EC-TMD under earthquake excitations with acceptable accuracy.

Multi-walled boron nitride nanotubes as self-excited launchers.

PubMed

Li, Yifan; Zhou, Yi; Wu, Yan; Huang, Chengchi; Wang, Long; Zhou, Xuyan; Zhao, Zhenyang; Li, Hui

2017-07-27

A self-excited launcher consisting of multi-walled boron nitride nanotubes (BNNTs) has been investigated using molecular dynamics simulation. The results show that, after a period of high frequency oscillation, the innermost BNNT can be spontaneously ejected along its central axis at a relatively fast speed. The launching is caused by the energy transfer between the nanotubes and without absorbing energy from the external environment. Most self-excited launchers could launch their innermost nanotube, although an inappropriate structure of the nanotubes contributes to a blocked or failed launch. In addition, a launch angle corrector and a nanotube receiver associated with a self-excited launcher are also manufactured to precisely control the launch angle and distance of the BNNTs. This study provides the possibility to fabricate and design self-excited launchers using multi-walled nanotubes.

Ultrafast Dynamics of 1,3-Cyclohexadiene in Highly Excited States

DOE PAGES

Bühler, Christine C.; Minitti, Michael P.; Deb, Sanghamitra; ...

2011-01-01

The ultrafast dynamics of 1,3-cyclohexadiene has been investigated via structurally sensitive Rydberg electron binding energies and shown to differ upon excitation to the 1B state and the 3p Rydberg state. Excitation of the molecule with 4.63 eV photons into the ultrashort-lived 1B state yields the well-known ring opening to 1,3,5-hexatriene, while a 5.99 eV photon lifts the molecule directly into the 3p-Rydberg state. Excitation to 3p does not induce ring opening. In both experiments, time-dependent shifts of the Rydberg electron binding energy reflect the structural dynamics of the molecular core. Structural distortions associated with 3p-excitation cause a dynamical shift in the -more » and -binding energies by 10 and 26 meV/ps, respectively, whereas after excitation into 1B, more severe structural transformations along the ring-opening coordinate produce shifts at a rate of 40 to 60 meV/ps. The experiment validates photoionization-photoelectron spectroscopy via Rydberg states as a powerful technique to observe structural dynamics of polyatomic molecules.« less

Excitation power quantities in phase resonance testing of nonlinear systems with phase-locked-loop excitation

NASA Astrophysics Data System (ADS)

Peter, Simon; Leine, Remco I.

2017-11-01

Phase resonance testing is one method for the experimental extraction of nonlinear normal modes. This paper proposes a novel method for nonlinear phase resonance testing. Firstly, the issue of appropriate excitation is approached on the basis of excitation power considerations. Therefore, power quantities known from nonlinear systems theory in electrical engineering are transferred to nonlinear structural dynamics applications. A new power-based nonlinear mode indicator function is derived, which is generally applicable, reliable and easy to implement in experiments. Secondly, the tuning of the excitation phase is automated by the use of a Phase-Locked-Loop controller. This method provides a very user-friendly and fast way for obtaining the backbone curve. Furthermore, the method allows to exploit specific advantages of phase control such as the robustness for lightly damped systems and the stabilization of unstable branches of the frequency response. The reduced tuning time for the excitation makes the commonly used free-decay measurements for the extraction of backbone curves unnecessary. Instead, steady-state measurements for every point of the curve are obtained. In conjunction with the new mode indicator function, the correlation of every measured point with the associated nonlinear normal mode of the underlying conservative system can be evaluated. Moreover, it is shown that the analysis of the excitation power helps to locate sources of inaccuracies in the force appropriation process. The method is illustrated by a numerical example and its functionality in experiments is demonstrated on a benchmark beam structure.

Study of radially excited Ds(21 S 0) and Ds(3P)

NASA Astrophysics Data System (ADS)

Tian, Yu; Zhao, Ze; Zhang, Ai-Lin

2017-08-01

The unobserved JP = 0- radial excitation Ds(21 S 0) is anticipated to have mass 2650 MeV (denoted as Ds(2650)). Study of hadronic production is an important way to identify highly excited states. We study hadronic production of Ds(2650) from higher excited resonances in a 3 P 0 model. Relevant hadronic partial decay widths are found to be very small, which implies it is difficult to observe Ds(2650) in hadronic decays of higher excited resonances. Hadronic decay widths of radially excited Ds(3P) have also been estimated. The total decay widths of four Ds(3P) are large, but the branching ratios in the Ds(2650)η channel are very small, which implies that it seems impossible to observe Ds(2650) in hadronic decays of Ds(3P). The dominant decay channels of the four Ds(3P) have been pointed out, and D1(2420), D1(2430), , D(2550), D(2600), (11D2)D(2750) and are possible to observe in hadronic production from Ds(3P). Supported by National Natural Science Foundation of China (11475111)

Enhanced viscous flow drag reduction using acoustic excitation

NASA Technical Reports Server (NTRS)

Nagel, R. T.

1988-01-01

Large eddy break up devices (LEBUs) constitute a promising method of obtaining drag reduction in a turbulent boundary layer. Enhancement of the LEBU effectiveness by exciting its trailing edge with acoustic waves phase locked to the large scale structure influencing the momentum transfer to the wall is sought. An initial estimate of the required sound pressure level for an effective pulse was obtained by considering the magnitude of the pressure perturbations at the near wake of a thin plate in inviscid flow. Detailed skin friction measurments were obtained in the flow region downstream of a LEBU excited with acoustic waves. The data are compared with skin friction measurements of a simply manipulated flow, without acoustic excitation and with a plain flow configuration. The properties and the scales of motion in the flow regime downstream of the acoustically excited LEBU are studied. A parametric study based upon the characteristics of the acoustic input was pursued in addition to the careful mapping of the drag reduction phenomenon within the acoustically manipulated boundary layer. This study of boundary layer manipulation has lead to improved skin friction drag reduction and further understanding of the turbulent boundary layer.

Hyperfine structure in 229gTh3+ as a probe of the 229gTh→ 229mTh nuclear excitation energy.

PubMed

Beloy, K

2014-02-14

We identify a potential means to extract the 229gTh→ 229mTh nuclear excitation energy from precision microwave spectroscopy of the 5F(5/2,7/2) hyperfine manifolds in the ion 229gTh3+. The hyperfine interaction mixes this ground fine structure doublet with states of the nuclear isomer, introducing small but observable shifts to the hyperfine sublevels. We demonstrate how accurate atomic structure calculations may be combined with the measurement of the hyperfine intervals to quantify the effects of this mixing. Further knowledge of the magnetic dipole decay rate of the isomer, as recently reported, allows an indirect determination of the nuclear excitation energy.

Ground vibration test results of a JetStar airplane using impulsive sine excitation

NASA Technical Reports Server (NTRS)

Kehoe, Michael W.; Voracek, David F.

1989-01-01

Structural excitation is important for both ground vibration and flight flutter testing. The structural responses caused by this excitation are analyzed to determine frequency, damping, and mode shape information. Many excitation waveforms have been used throughout the years. The use of impulsive sine (sin omega t)/omega t as an excitation waveform for ground vibration testing and the advantages of using this waveform for flight flutter testing are discussed. The ground vibration test results of a modified JetStar airplane using impulsive sine as an excitation waveform are compared with the test results of the same airplane using multiple-input random excitation. The results indicated that the structure was sufficiently excited using the impulsive sine waveform. Comparisons of input force spectrums, mode shape plots, and frequency and damping values for the two methods of excitation are presented.

Orientation-dependent imaging of electronically excited quantum dots

NASA Astrophysics Data System (ADS)

Nguyen, Duc; Goings, Joshua J.; Nguyen, Huy A.; Lyding, Joseph; Li, Xiaosong; Gruebele, Martin

2018-02-01

We previously demonstrated that we can image electronic excitations of quantum dots by single-molecule absorption scanning tunneling microscopy (SMA-STM). With this technique, a modulated laser beam periodically saturates an electronic transition of a single nanoparticle, and the resulting tunneling current modulation ΔI(x0, y0) maps out the SMA-STM image. In this paper, we first derive the basic theory to calculate ΔI(x0, y0) in the one-electron approximation. For near-resonant tunneling through an empty orbital "i" of the nanostructure, the SMA-STM signal is approximately proportional to the electron density |φi) (x0,y0)|^{excited orbital in the tunneling region. Thus, the SMA-STM signal is approximated by an orbital density map (ODM) of the resonantly excited orbital at energy Ei. The situation is more complex for correlated electron motion, but either way a slice through the excited electronic state structure in the tunneling region is imaged. We then show experimentally that we can nudge quantum dots on the surface and roll them, thus imaging excited state electronic structure of a single quantum dot at different orientations. We use density functional theory to model ODMs at various orientations, for qualitative comparison with the SMA-STM experiment. The model demonstrates that our experimentally observed signal monitors excited states, localized by defects near the surface of an individual quantum dot. The sub-nanometer super-resolution imaging technique demonstrated here could become useful for mapping out the three-dimensional structure of excited states localized by defects within nanomaterials.}

Orientation-dependent imaging of electronically excited quantum dots.

PubMed

Nguyen, Duc; Goings, Joshua J; Nguyen, Huy A; Lyding, Joseph; Li, Xiaosong; Gruebele, Martin

2018-02-14

We previously demonstrated that we can image electronic excitations of quantum dots by single-molecule absorption scanning tunneling microscopy (SMA-STM). With this technique, a modulated laser beam periodically saturates an electronic transition of a single nanoparticle, and the resulting tunneling current modulation ΔI(x 0 , y 0 ) maps out the SMA-STM image. In this paper, we first derive the basic theory to calculate ΔI(x 0 , y 0 ) in the one-electron approximation. For near-resonant tunneling through an empty orbital "i" of the nanostructure, the SMA-STM signal is approximately proportional to the electron density φ i x 0 ,y 0 2 of the excited orbital in the tunneling region. Thus, the SMA-STM signal is approximated by an orbital density map (ODM) of the resonantly excited orbital at energy E i . The situation is more complex for correlated electron motion, but either way a slice through the excited electronic state structure in the tunneling region is imaged. We then show experimentally that we can nudge quantum dots on the surface and roll them, thus imaging excited state electronic structure of a single quantum dot at different orientations. We use density functional theory to model ODMs at various orientations, for qualitative comparison with the SMA-STM experiment. The model demonstrates that our experimentally observed signal monitors excited states, localized by defects near the surface of an individual quantum dot. The sub-nanometer super-resolution imaging technique demonstrated here could become useful for mapping out the three-dimensional structure of excited states localized by defects within nanomaterials.

Some unresolved questions on hot-jet mixing control through artificial excitation

NASA Technical Reports Server (NTRS)

Ahuja, K. K.; Lepicovsky, J.; Brown, W. H.

1986-01-01

The problem of the mixing enhancement of heated jets through acoustic excitation is addressed using a 5.08 cm diameter jet operating at Mach numbers as high as 1.12 and at temperatures reaching 670 K. An experimental investigation is carried out to determine why high-speed heated jets are not as responsive to internal excitation as low-speed heated jets. Results are also presented which are related to the flow structure in the presence of screech and under the influence of external excitation. It is shown that, if sufficiently high excitation levels are used, the heated jets, even at high levels, can be modified by artificial excitation. Nonetheless, it is concluded that, for the test facility and test conditions used in the present study, the high-Mach-number heated jets are considerably less excitable than the similarly heated low-Mach-number jets.

Electronic and Structural Elements That Regulate the Excited-State Dynamics in Purine Nucleobase Derivatives

PubMed Central

2015-01-01

The excited-state dynamics of the purine free base and 9-methylpurine are investigated using experimental and theoretical methods. Femtosecond broadband transient absorption experiments reveal that excitation of these purine derivatives in aqueous solution at 266 nm results primarily in ultrafast conversion of the S2(ππ*) state to the vibrationally excited 1nπ* state. Following vibrational and conformational relaxation, the 1nπ* state acts as a doorway state in the efficient population of the triplet manifold with an intersystem crossing lifetime of hundreds of picoseconds. Experiments show an almost 2-fold increase in the intersystem crossing rate on going from polar aprotic to nonpolar solvents, suggesting that a solvent-dependent energy barrier must be surmounted to access the singlet-to-triplet crossing region. Ab initio static and surface-hopping dynamics simulations lend strong support to the proposed relaxation mechanism. Collectively, the experimental and computational results demonstrate that the accessibility of the nπ* states and the topology of the potential energy surfaces in the vicinity of conical intersections are key elements in controlling the excited-state dynamics of the purine derivatives. From a structural perspective, it is shown that the purine chromophore is not responsible for the ultrafast internal conversion in the adenine and guanine monomers. Instead, C6 functionalization plays an important role in regulating the rates of radiative and nonradiative relaxation. C6 functionalization inhibits access to the 1nπ* state while simultaneously facilitating access to the 1ππ*(La)/S0 conical intersection, such that population of the 1nπ* state cannot compete with the relaxation pathways to the ground state involving ring puckering at the C2 position. PMID:25763596

Rate-coefficients and polarization results for the electron-impact excitation of Ar+ ion

NASA Astrophysics Data System (ADS)

Srivastava, Rajesh; Dipti, Dipti

2016-05-01

A fully relativistic distorted wave theory has been employed to study the electron impact excitation in Ar+ ion. Results have been obtained for the excitation cross-sections and rate-coefficients for the transitions from the ground state 3p5 (J = 3/2) to fine-structure levels of excited states 3p4 4 s, 3p4 4 p , 3p4 5 s, 3p4 5 p, 3p4 3 d and 3p4 4 d. Polarization of the radiation following the excitation has been calculated using the obtained magnetic sub-level cross-sections. Comparison of the present rate-coefficients is also done with the previously reported theoretical results for some unresolved fine structure transitions. Work is supported by DAE-BRNS Mumbai and CSIR, New Delhi.

Pressure dependence of excited-state charge-carrier dynamics in organolead tribromide perovskites

NASA Astrophysics Data System (ADS)

Liu, X. C.; Han, J. H.; Zhao, H. F.; Yan, H. C.; Shi, Y.; Jin, M. X.; Liu, C. L.; Ding, D. J.

2018-05-01

Excited-state charge-carrier dynamics governs the performance of organometal trihalide perovskites (OTPs) and is strongly influenced by the crystal structure. Characterizing the excited-state charge-carrier dynamics in OTPs under high pressure is imperative for providing crucial insights into structure-property relations. Here, we conduct in situ high-pressure femtosecond transient absorption spectroscopy experiments to study the excited-state carrier dynamics of CH3NH3PbBr3 (MAPbBr3) under hydrostatic pressure. The results indicate that compression is an effective approach to modulate the carrier dynamics of MAPbBr3. Across each pressure-induced phase, carrier relaxation, phonon scattering, and Auger recombination present different pressure-dependent properties under compression. Responsiveness is attributed to the pressure-induced variation in the lattice structure, which also changes the electronic band structure. Specifically, simultaneous prolongation of carrier relaxation and Auger recombination is achieved in the ambient phase, which is very valuable for excess energy harvesting. Our discussion provides clues for optimizing the photovoltaic performance of OTPs.

Laser pulses for coherent xuv Raman excitation

NASA Astrophysics Data System (ADS)

Greenman, Loren; Koch, Christiane P.; Whaley, K. Birgitta

2015-07-01

We combine multichannel electronic structure theory with quantum optimal control to derive femtosecond-time-scale Raman pulse sequences that coherently populate a valence excited state. For a neon atom, Raman target populations of up to 13% are obtained. Superpositions of the ground and valence Raman states with a controllable relative phase are found to be reachable with up to 4.5% population and arbitrary phase control facilitated by the pump pulse carrier-envelope phase. Analysis of the optimized pulse structure reveals a sequential mechanism in which the valence excitation is reached via a fast (femtosecond) population transfer through an intermediate resonance state in the continuum rather than avoiding intermediate-state population with simultaneous or counterintuitive (stimulated Raman adiabatic passage) pulse sequences. Our results open a route to coupling valence excitations and core-hole excitations in molecules and aggregates that locally address specific atoms and represent an initial step towards realization of multidimensional spectroscopy in the xuv and x-ray regimes.

K-shell excitation studied for H- and He-like bismuth ions in collisions with low-Z target atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stoehlker, T.; Ionescu, D.C.; Rymuza, P.

1998-02-01

The formation of excited projectile states via Coulomb excitation is investigated for hydrogenlike and heliumlike bismuth projectiles (Z=83) in relativistic ion-atom collisions. The excitation process was unambiguously identified by observing the radiative decay of the excited levels to the vacant 1s shell in coincidence with ions that did not undergo charge exchange in the reaction target. In particular, owing to the large fine-structure splitting of Bi, the excitation cross sections to the various L-shell sublevels are determined separately. The results are compared with detailed relativistic calculations, showing that both the relativistic character of the bound-state wave functions and the magneticmore » interaction are of considerable importance for the K-shell excitation process in high-Z ions such as Bi. The experimental data confirm the result of the complete relativistic calculations, namely, that the magnetic part of the Li{acute e}nard-Wiechert interaction leads to a significant reduction of the K-shell excitation cross section. {copyright} {ital 1998} {ital The American Physical Society}« less

Impedance measures in analysis and characterization of multistable structures subjected to harmonic excitation

NASA Astrophysics Data System (ADS)

Harne, Ryan L.; Goodpaster, Benjamin A.

2018-01-01

Structural components susceptible to adverse, post-buckled dynamic behaviors have long challenged the success of applications requiring lightweight, slender curved structures, while researchers have begun to leverage such bistable systems in emerging applications for novel energy attenuation and shape-changing properties. To expedite development and deployment of these built-up platforms containing post-buckled constituents, efficient approaches are required to complement time-consuming full-field models in the prediction of the near- and far-from-equilibrium dynamics. This research meets the need by introducing a semi-analytical model framework to enable the characterization of steady-state responses in multi degree-of-freedom (DOF) and multistable structural systems subjected to harmonic excitation. In so doing, the pathway for assessing impedance measures is created here so as to identify how energy travels and returns within built-up multistable structures. Verified by simulations and qualitatively validated by experiments, the analysis is shown to accurately reproduce both near- and far-from-equilibrium responses including different classes of energetic snap-through dynamics that only exist in such multistable structures. A first look at the impedance measures of different dynamic regimes reveals a connection between damping in multistable structures and the sustainability of far-from-equilibrium oscillations.

Inner-shell excitation and ionic fragmentation of molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hitchcock, A.P.; Tyliszczak, T.; Cavell, R.G.

1997-04-01

Inner-shell excitation and associated decay spectroscopies are site specific probes of electronic and geometrical structure and photoionization dynamics. X-ray absorption probes the geometric and electronic structure, while time-of-flight mass spectrometry with multi-coincidence detection provides information on the photofragmentation dynamics of the initially produced inner-shell state. Auger decay of inner-shell excited and ionised states is an efficient source of multiply charged ions. The charge separation and fragmentation of these species, studied by photoelectron-photoion-photoion coincidence (also called charge separation mass spectrometry) gives insights into bonding and electronic structure. In molecules, the dependence of the fragmentation process on the X-ray energy can revealmore » cases of site and/or state selective fragmentation. At the ALS the authors have examined the soft X-ray spectroscopy and ionic fragmentation of a number of molecules, including carboranes, silylenes, phosphorus halides, SF{sub 6} and CO{sub 2}. Their work is illustrated using results from the carborane and PF{sub 3} studies.« less

Protein Structural Deformation Induced Lifetime Shortening of Photosynthetic Bacteria Light-Harvesting Complex LH2 Excited State

PubMed Central

Chen, Xing-Hai; Zhang, Lei; Weng, Yu-Xiang; Du, Lu-Chao; Ye, Man-Ping; Yang, Guo-Zhen; Fujii, Ritsuko; Rondonuwu, Ferdy S.; Koyama, Yasushi; Wu, Yi-Shi; Zhang, J. P.

2005-01-01

Photosynthetic bacterial light-harvesting antenna complex LH2 was immobilized on the surface of TiO2 nanoparticles in the colloidal solution. The LH2/TiO2 assembly was investigated by the time-resolved spectroscopic methods. The excited-state lifetimes for carotenoid-containing and carotenoidless LH2 have been measured, showing a decrease in the excited-state lifetime of B850 when LH2 was immobilized on TiO2. The possibility that the decrease of the LH2 excited-state lifetime being caused by an interfacial electron transfer reaction between B850 and the TiO2 nanoparticle was precluded experimentally. We proposed that the observed change in the photophysical properties of LH2 when assembled onto TiO2 nanoparticles is arising from the interfacial-interaction-induced structural deformation of the LH2 complex deviating from an ellipse of less eccentric to a more eccentric ellipse, and the observed phenomenon can be accounted by an elliptical exciton model. Experiment by using photoinactive SiO2 nanoparticle in place of TiO2 and core complex LH1 instead of LH2 provide further evidence to the proposed mechanism. PMID:15821161

Protein structural deformation induced lifetime shortening of photosynthetic bacteria light-harvesting complex LH2 excited state.

PubMed

Chen, Xing-Hai; Zhang, Lei; Weng, Yu-Xiang; Du, Lu-Chao; Ye, Man-Ping; Yang, Guo-Zhen; Fujii, Ritsuko; Rondonuwu, Ferdy S; Koyama, Yasushi; Wu, Yi-Shi; Zhang, J P

2005-06-01

Photosynthetic bacterial light-harvesting antenna complex LH2 was immobilized on the surface of TiO(2) nanoparticles in the colloidal solution. The LH2/TiO(2) assembly was investigated by the time-resolved spectroscopic methods. The excited-state lifetimes for carotenoid-containing and carotenoidless LH2 have been measured, showing a decrease in the excited-state lifetime of B850 when LH2 was immobilized on TiO(2). The possibility that the decrease of the LH2 excited-state lifetime being caused by an interfacial electron transfer reaction between B850 and the TiO(2) nanoparticle was precluded experimentally. We proposed that the observed change in the photophysical properties of LH2 when assembled onto TiO(2) nanoparticles is arising from the interfacial-interaction-induced structural deformation of the LH2 complex deviating from an ellipse of less eccentric to a more eccentric ellipse, and the observed phenomenon can be accounted by an elliptical exciton model. Experiment by using photoinactive SiO(2) nanoparticle in place of TiO(2) and core complex LH1 instead of LH2 provide further evidence to the proposed mechanism.

A novel low cost pulse excitation source to study trap spectroscopy of persistent luminescent materials

NASA Astrophysics Data System (ADS)

Chandrasekhar, Ngangbam; Singh, Nungleppam Monorajan; Gartia, R. K.

2018-04-01

Luminescent techniques require one or the other source of excitations which may vary from high cost X-rays, γ-rays, β-rays etc. to low cost LED. Persistent luminescent materials or Glow-in-the-Dark phosphors are the optical harvesters which store the optical energy from day light illuminating a whole night. They are so sensitive that they can be excited even with the low light of firefly. Therefore, instead of using a high cost excitation source authors have developed a low cost functioning of excitation source controlling short pulses of LED to excite persistent phosphors with the aid of ExpEYES Junior (Hardware/software framework developed by IUAC, New Delhi). Using this, the authors have excited the sample under investigation upto 10 ms. Trap spectroscopy of the pre-excited sample with LED is studied using Thermoluminescence (TL) technique. In this communication, development of the excitation source is discussed and demonstrate the its usefulness in the study of trap spectroscopy of commercially available CaS:Eu2+, Sm3+. Trapping parameters are also evaluated using Computerized Glow Curve Deconvolution (CGCD) technique.

Femtosecond coherent nuclear dynamics of excited tetraphenylethylene: Ultrafast transient absorption and ultrafast Raman loss spectroscopic studies

NASA Astrophysics Data System (ADS)

Kayal, Surajit; Roy, Khokan; Umapathy, Siva

2018-01-01

Ultrafast torsional dynamics plays an important role in the photoinduced excited state dynamics. Tetraphenylethylene (TPE), a model system for the molecular motor, executes interesting torsional dynamics upon photoexcitation. The photoreaction of TPE involves ultrafast internal conversion via a nearly planar intermediate state (relaxed state) that further leads to a twisted zwitterionic state. Here, we report the photoinduced structural dynamics of excited TPE during the course of photoisomerization in the condensed phase by ultrafast Raman loss (URLS) and femtosecond transient absorption (TA) spectroscopy. TA measurements on the S1 state reveal step-wise population relaxation from the Franck-Condon (FC) state → relaxed state → twisted state, while the URLS study provides insights on the vibrational dynamics during the course of the reaction. The TA spectral dynamics and vibrational Raman amplitudes within 1 ps reveal vibrational wave packet propagating from the FC state to the relaxed state. Fourier transformation of this oscillation leads to a ˜130 cm-1 low-frequency phenyl torsional mode. Two vibrational marker bands, Cet=Cet stretching (˜1512 cm-1) and Cph=Cph stretching (˜1584 cm-1) modes, appear immediately after photoexcitation in the URLS spectra. The initial red-shift of the Cph=Cph stretching mode with a time constant of ˜400 fs (in butyronitrile) is assigned to the rate of planarization of excited TPE. In addition, the Cet=Cet stretching mode shows initial blue-shift within 1 ps followed by frequency red-shift, suggesting that on the sub-picosecond time scale, structural relaxation is dominated by phenyl torsion rather than the central Cet=Cet twist. Furthermore, the effect of the solvent on the structural dynamics is discussed in the context of ultrafast nuclear dynamics and solute-solvent coupling.

Femtosecond coherent nuclear dynamics of excited tetraphenylethylene: Ultrafast transient absorption and ultrafast Raman loss spectroscopic studies.

PubMed

Kayal, Surajit; Roy, Khokan; Umapathy, Siva

2018-01-14

Ultrafast torsional dynamics plays an important role in the photoinduced excited state dynamics. Tetraphenylethylene (TPE), a model system for the molecular motor, executes interesting torsional dynamics upon photoexcitation. The photoreaction of TPE involves ultrafast internal conversion via a nearly planar intermediate state (relaxed state) that further leads to a twisted zwitterionic state. Here, we report the photoinduced structural dynamics of excited TPE during the course of photoisomerization in the condensed phase by ultrafast Raman loss (URLS) and femtosecond transient absorption (TA) spectroscopy. TA measurements on the S 1 state reveal step-wise population relaxation from the Franck-Condon (FC) state → relaxed state → twisted state, while the URLS study provides insights on the vibrational dynamics during the course of the reaction. The TA spectral dynamics and vibrational Raman amplitudes within 1 ps reveal vibrational wave packet propagating from the FC state to the relaxed state. Fourier transformation of this oscillation leads to a ∼130 cm -1 low-frequency phenyl torsional mode. Two vibrational marker bands, C et =C et stretching (∼1512 cm -1 ) and C ph =C ph stretching (∼1584 cm -1 ) modes, appear immediately after photoexcitation in the URLS spectra. The initial red-shift of the C ph =C ph stretching mode with a time constant of ∼400 fs (in butyronitrile) is assigned to the rate of planarization of excited TPE. In addition, the C et =C et stretching mode shows initial blue-shift within 1 ps followed by frequency red-shift, suggesting that on the sub-picosecond time scale, structural relaxation is dominated by phenyl torsion rather than the central C et =C et twist. Furthermore, the effect of the solvent on the structural dynamics is discussed in the context of ultrafast nuclear dynamics and solute-solvent coupling.

Multiconfiguration pair-density functional theory for doublet excitation energies and excited state geometries: the excited states of CN.

PubMed

Bao, Jie J; Gagliardi, Laura; Truhlar, Donald G

2017-11-15

Multiconfiguration pair-density functional theory (MC-PDFT) is a post multiconfiguration self-consistent field (MCSCF) method with similar performance to complete active space second-order perturbation theory (CASPT2) but with greater computational efficiency. Cyano radical (CN) is a molecule whose spectrum is well established from experiments and whose excitation energies have been used as a testing ground for theoretical methods to treat excited states of open-shell systems, which are harder and much less studied than excitation energies of closed-shell singlets. In the present work, we studied the adiabatic excitation energies of CN with MC-PDFT. Then we compared this multireference (MR) method to some single-reference (SR) methods, including time-dependent density functional theory (TDDFT) and completely renormalized equation-of-motion coupled-cluster theory with singles, doubles and noniterative triples [CR-EOM-CCSD(T)]; we also compared to some other MR methods, including configuration interaction singles and doubles (MR-CISD) and multistate CASPT2 (MS-CASPT2). Through a comparison between SR and MR methods, we achieved a better appreciation of the need to use MR methods to accurately describe higher excited states, and we found that among the MR methods, MC-PDFT stands out for its accuracy for the first four states out of the five doublet states studied this paper; this shows its efficiency for calculating doublet excited states.

A numerical study on the limitations of modal Iwan models for impulsive excitations

NASA Astrophysics Data System (ADS)

Lacayo, Robert M.; Deaner, Brandon J.; Allen, Matthew S.

2017-03-01

Structures with mechanical joints are difficult to model accurately. Even if the natural frequencies of the system remain essentially constant, the damping introduced by the joints is often observed to change dramatically with amplitude. Although models for individual joints have been employed with some success, accurately modeling a structure with many joints remains a significant obstacle. To this end, Segalman proposed a modal Iwan model, which simplifies the analysis by modeling a system with a linear superposition of weakly-nonlinear, uncoupled single degree-of-freedom systems or modes. Given a simulation model with discrete joints, one can identify the model for each mode by selectively exciting each mode one at a time and observing how the transient response decays. However, in the environment of interest several modes may be excited simultaneously, such as in an experiment when an impulse is applied at a discrete point. In this work, the modal Iwan model framework is assessed numerically to understand how well it captures the dynamic response of typical structures with joints when they are excited with impulsive forces applied at point locations. This is done by comparing the effective natural frequency and modal damping of the uncoupled modal models with those of truth models that include nonlinear modal coupling. These concepts are explored for two structures, a simple spring-mass system and a finite element model of a beam, both of which contain physical Iwan elements to model joint nonlinearity. The results show that modal Iwan models can effectively capture the variations in frequency and damping with amplitude, which, for damping, can increase by as much as two orders of magnitude in the microslip regime. However, even in the microslip regime the accuracy of a modal Iwan model is found to depend on whether the mode in question is dominant in the response; in some cases the effective damping that the uncoupled model predicts is found to be in error by

Structural identification of triacylglycerol isomers using electron impact excitation of ions from organics (EIEIO).

PubMed

Baba, Takashi; Campbell, J Larry; Le Blanc, J C Yves; Baker, Paul R S

2016-11-01

Electron-induced dissociation or electron impact excitation of ions from organics (EIEIO) was applied to triacylglycerols (TAGs) for in-depth molecular structure analysis using MS. In EIEIO, energetic electrons (∼10 eV) fragmented TAG ions to allow for regioisomeric assignment of identified acyl groups at the sn-2 or sn-1/3 positions of the glycerol backbone. In addition, carbon-carbon double bond locations within the acyl chains could also be assigned by EIEIO. Beyond the analysis of lipid standards, this technique was applied to edible oils and natural lipid extracts to demonstrate the power of this method to provide in-depth structural elucidation of TAG molecular species. Copyright © 2016 by the American Society for Biochemistry and Molecular Biology, Inc.

Time-resolved infrared and resonance Raman studies of benzil. Vibrational analysis and structures of the excited states

NASA Astrophysics Data System (ADS)

Mizuno, Misao; Iwata, Koichi; Takahashi, Hiroaki

2003-12-01

Structures of the S 1 and T 1 states of benzil are examined based on the experimental results from nanosecond time-resolved infrared spectroscopy and picosecond time-resolved Raman spectroscopy. Nanosecond time-resolved infrared spectra of the T 1 state of benzil as well as its three isotopically substituted analogues were measured in carbon tetrachloride. The observed infrared bands of T 1 benzil were assigned based on the frequency shifts on isotopic ( 18O, and deuteration) substitutions. The infrared band at 1312 cm -1 is assigned to the CO anti-symmetric stretch vibration. An infrared band that has large contribution from the central C-C stretch is not observed. Picosecond time-resolved resonance Raman spectra of the S 1 state of benzil were also measured. It has been reported that after the photoexcitation, the benzil molecule shows an ultrafast conformational change in the S 1 state. The observed resonance Raman bands are attributable to the vibrations of the relaxed form of the S 1 state. By comparing the Raman and infrared spectra of the S 0, S 1, and T 1 states of benzil, the structures of benzil in the excited states are discussed. Upon going from the S 0 state to the S 1 or T 1 state, the bond order of the CO bond decreases while that of the central C-C bond increases. Although several ground-state bands appear in both the infrared and Raman spectra, there is no band observed simultaneously in the infrared and Raman spectra of the T 1 state, except for bands attributable to the phenyl ring vibrations. We conclude that T 1 benzil has the inversion center that arises from the trans-planar structure. The spectral pattern of the resonance Raman scattering of the relaxed S 1 state is very similar to that of the T 1 state. This implies that the molecular structure of the relaxed S 1 state is similar to that of the T 1 state. The structure of the relaxed form of the S 1 state is also considered to be trans-planar.

Coulomb excitation of a radioactive beam of rubidium-78

NASA Astrophysics Data System (ADS)

Schwartz, Jazmin

2000-11-01

Much attention has been focused on the structure of nuclei far from stability and on the technologies necessary to study them. The increased interest in these nuclei is due to their importance in generalizing nuclear structure, and to the crucial roles many of them play in astrophysical processes. One approach being investigated to reach the driplines is the construction of radioactive beam facilities for nuclear physics research at the drip- lines. One of the more promising tools for research into the structure of these exotic nuclei is the use of Coulomb excitation reactions. This process has the advantage of having relatively large excitation cross sections (in the order of barns) which are directly calculable, as they involve only the matrix elements of the electro-magnetic interaction. Thus, experimental observables can be directly related to nuclear matrix elements. Coulomb excitation is normally inferred by measuring the gamma-rays emitted during the subsequent de-excitation of states. When radioactive beams are used, a background of gamma-rays arising from β+ decay of the beam is present, which can be intense. The presently available radioactive beams are usually not intense (<10 5) pps, so the gamma-rays of interest are never strong and it is difficult to suppress gamma-rays from background processes. Nevertheless, by exploiting the characteristics of prompt excitation, photons emitted through the Coulomb excitation mechanism can be separated from backgrounds by measuring gamma-rays emitted with appropriate time and intensity correlations with respect to the scattered ions. This thesis reports on a ``proof-of-principle'' experiment involving the Coulomb excitation of a low energy (E/A < 1.5 MeV/u), low intensity (~104 particles per second) beam of radioactive nuclei. We have produced a secondary radioactive beam of 78Rb and Coulomb re- excited it. The beam was produced in the fusion evaporation reaction 24Mg(58Ni,3pn)78Rb using beams delivered by the

Hyperspectral imaging fluorescence excitation scanning for detecting colorectal cancer: pilot study

NASA Astrophysics Data System (ADS)

Leavesley, Silas J.; Wheeler, Mikayla; Lopez, Carmen; Baker, Thomas; Favreau, Peter F.; Rich, Thomas C.; Rider, Paul F.; Boudreaux, Carole W.

2016-03-01

Optical spectroscopy and hyperspectral imaging have shown the theoretical potential to discriminate between cancerous and non-cancerous tissue with high sensitivity and specificity. To date, these techniques have not been able to be effectively translated to endoscope platforms. Hyperspectral imaging of the fluorescence excitation spectrum represents a new technology that may be well-suited for endoscopic implementation. However, the feasibility of detecting differences between normal and cancerous mucosa using fluorescence excitation-scanning hyperspectral imaging has not been evaluated. The objective of this pilot study was to evaluate the changes in the fluorescence excitation spectrum of resected specimen pairs of colorectal adenocarcinoma and normal colorectal mucosa. Patients being treated for colorectal adenocarcinoma were enrolled. Representative adenocarcinoma and normal colonic mucosa specimens were collected from each case. Specimens were flash frozen in liquid nitrogen. Adenocarcinoma was confirmed by histologic evaluation of H&E permanent sections. Hyperspectral image data of the fluorescence excitation of adenocarcinoma and surrounding normal tissue were acquired using a custom microscope configuration previously developed in our lab. Results demonstrated consistent spectral differences between normal and cancerous tissues over the fluorescence excitation spectral range of 390-450 nm. We conclude that fluorescence excitation-scanning hyperspectral imaging may offer an alternative approach for differentiating adenocarcinoma and surrounding normal mucosa of the colon. Future work will focus on expanding the number of specimen pairs analyzed and will utilize fresh tissues where possible, as flash freezing and reconstituting tissues may have altered the autofluorescence properties.

Nucleon resonance structure studies via exclusive KY electroproduction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carman, Daniel S.

Studying the structure of excited nucleon states employing the electroproduction of exclusive reactions is an important avenue for exploring the nature of the non-perturbative strong interaction. The electrocouplings ofmore » $N^*$ states in the mass range below 1.8~GeV have been determined from analyses of CLAS $$\\pi N$$, $$\\eta N$$, and $$\\pi \\pi N$$ data. This work has made it clear that consistent results from independent analyses of several exclusive channels with different couplings and non-resonant backgrounds but the same $N^*$ electro excitation amplitudes, is essential to have confidence in the extracted results. In terms of hadronic coupling, many high-lying $N^*$ states preferentially decay through the $$\\pi \\pi N$$ channel instead of $$\\pi N$$. Data from the $KY$ channels will therefore be critical to provide an independent analysis to compare the extracted electrocouplings for the high-lying $N^*$ states against those determined from the $$\\pi N$$ and $$\\pi \\pi N$$ channels. Lastly, a program to study excited $N^*$ state structure in both non-strange and strange exclusive electroproduction channels using CLAS12 will measure differential cross sections and polarization observables to be used as input to extract the $$\\gamma_vNN^*$$ electrocoupling amplitudes for the most prominent $N^*$ states in the range of invariant energy $W$ up 3~GeV in the virtually unexplored domain of momentum transfers $Q^2$ up to 12~GeV$^2$.« less

Nucleon resonance structure studies via exclusive KY electroproduction

DOE PAGES

Carman, Daniel S.

2016-06-16

Studying the structure of excited nucleon states employing the electroproduction of exclusive reactions is an important avenue for exploring the nature of the non-perturbative strong interaction. The electrocouplings ofmore » $N^*$ states in the mass range below 1.8~GeV have been determined from analyses of CLAS $$\\pi N$$, $$\\eta N$$, and $$\\pi \\pi N$$ data. This work has made it clear that consistent results from independent analyses of several exclusive channels with different couplings and non-resonant backgrounds but the same $N^*$ electro excitation amplitudes, is essential to have confidence in the extracted results. In terms of hadronic coupling, many high-lying $N^*$ states preferentially decay through the $$\\pi \\pi N$$ channel instead of $$\\pi N$$. Data from the $KY$ channels will therefore be critical to provide an independent analysis to compare the extracted electrocouplings for the high-lying $N^*$ states against those determined from the $$\\pi N$$ and $$\\pi \\pi N$$ channels. Lastly, a program to study excited $N^*$ state structure in both non-strange and strange exclusive electroproduction channels using CLAS12 will measure differential cross sections and polarization observables to be used as input to extract the $$\\gamma_vNN^*$$ electrocoupling amplitudes for the most prominent $N^*$ states in the range of invariant energy $W$ up 3~GeV in the virtually unexplored domain of momentum transfers $Q^2$ up to 12~GeV$^2$.« less

Excitation, response, and fatigue life estimation methods for the structural design of externally blown flaps

NASA Technical Reports Server (NTRS)

Ungar, E. E.; Chandiramani, K. L.; Barger, J. E.

1972-01-01

Means for predicting the fluctuating pressures acting on externally blown flap surfaces are developed on the basis of generalizations derived from non-dimensionalized empirical data. Approaches for estimation of the fatigue lives of skin-stringer and honeycomb-core sandwich flap structures are derived from vibration response analyses and panel fatigue data. Approximate expressions for fluctuating pressures, structural response, and fatigue life are combined to reveal the important parametric dependences. The two-dimensional equations of motion of multi-element flap systems are derived in general form, so that they can be specialized readily for any particular system. An introduction is presented of an approach to characterizing the excitation pressures and structural responses which makes use of space-time spectral concepts and promises to provide useful insights, as well as experimental and analytical savings.

Analysis on pseudo excitation of random vibration for structure of time flight counter

NASA Astrophysics Data System (ADS)

Wu, Qiong; Li, Dapeng

2015-03-01

Traditional computing method is inefficient for getting key dynamical parameters of complicated structure. Pseudo Excitation Method(PEM) is an effective method for calculation of random vibration. Due to complicated and coupling random vibration in rocket or shuttle launching, the new staging white noise mathematical model is deduced according to the practical launch environment. This deduced model is applied for PEM to calculate the specific structure of Time of Flight Counter(ToFC). The responses of power spectral density and the relevant dynamic characteristic parameters of ToFC are obtained in terms of the flight acceptance test level. Considering stiffness of fixture structure, the random vibration experiments are conducted in three directions to compare with the revised PEM. The experimental results show the structure can bear the random vibration caused by launch without any damage and key dynamical parameters of ToFC are obtained. The revised PEM is similar with random vibration experiment in dynamical parameters and responses are proved by comparative results. The maximum error is within 9%. The reasons of errors are analyzed to improve reliability of calculation. This research provides an effective method for solutions of computing dynamical characteristic parameters of complicated structure in the process of rocket or shuttle launching.

Structural changes upon excitation of D1-D2-Cyt b559 photosystem II reaction centers depend on the beta-carotene content.

PubMed

Losi, Aba; Yruela, Inmaculada; Reus, Michael; Holzwarth, Alfred R; Braslavsky, Silvia E

2003-07-01

Different preparations of D1-D2-Cyt b559 complexes from spinach with different beta-carotene (Car) content [on average from <0.5 to 2 per reaction center (RC)] were studied by means of laser-induced optoacoustic spectroscopy. phiP680(+)Pheo(-) does not depend on the preparation (or on the Car content) inasmuch as the magnitude of the prompt heat (produced within 20 ns) does not vary for the different samples upon excitation at 675 and 620 nm. The energy level of the primary charge-separated state, P680(+)Pheo(-), was determined as EP680(+)Pheo(-) = 1.55 eV. Thus, an enthalpy change accompanying charge separation from excited P680 of deltaH*P680Pheo-->P680(+)Pheo(-) = -0.27 eV is obtained. Calculations using the heat evolved during the time-resolved decay of P680(+)Pheo(-) (< or = 100 ns) affords a triplet (3[P680Pheo]) quantum yield phi3[P680Pheo] = 0.5 +/- 0.14. The structural volume change, deltaV1, corresponding to the formation of P680(+)Pheo(-), strongly depends on the Car content; it is ca. -2.5 A3 molecule(-1) for samples with <0.5 Car on average, decreases (in absolute value) to -0.5 +/- 0.2 A3 for samples with an average of 1 Car, and remains the same for samples with two Cars per RC. This suggests that the Car molecules induce changes in the ground-state RC conformation, an idea which was confirmed by preferential excitation of Car with blue light, which produced different carotene triplet lifetimes in samples with 2 Car compared to those containing less carotene. We conclude that the two beta-carotenes are not structurally equivalent. Upon blue-light excitation (480 nm, preferential carotene absorption) the fraction of energy stored is ca. 60% for the 9Chl-2Car sample, whereas it is 40% for the preparations with one or less Cars on average, indicating different paths of energy distribution after Car excitation in these RCs with remaining chlorophyll antennae.

Theoretical studies for excited-state tautomerization in the 7-azaindole-(CH3OH)n (n = 1 and 2) complexes in the gas phase.

PubMed

Fang, Hua; Kim, Yongho

2011-12-01

The excited-state tautomerization of 7-azaindole (7AI) complexes bonded with either one or two methanol molecule(s) was studied by systematic quantum mechanical calculations in the gas phases. Electronic structures and energies for the reactant, transition state (TS), and product were computed at the complete active space self-consistent field (CASSCF) levels with the second-order multireference perturbation theory (MRPT2) to consider the dynamic electron correlation. The time-dependent density functional theory (TDDFT) was also used for comparison. The excited-state double proton transfer (ESDPT) in 7AI-CH(3)OH occurs in a concerted but asynchronous mechanism. Similarly, such paths are also found in the two transition states during the excited-state triple proton transfer (ESTPT) of the 7AI-(CH(3)OH)(2) complex. In the first TS, the pyrrole ring proton first migrated to methanol, while in the second the methanol proton moved first to the pyridine ring. The CASSCF level with the MRPT2 correction showed that the former path was much preferable to the latter, and the ESDPT is much slower than the ESTPT. Additionally, the vibrational-mode enhanced tautomerization in the 7AI-(CH(3)OH)(2) complex was also studied. We found that the excitation of the low-frequency mode shortens the reaction path to increase the tautomerization rate. Overall, most TDDFT methods used in this study predicted different TS structures and barriers from the CASSCF methods with MRPT2 corrections. © 2011 American Chemical Society

Ultrafast excited-state dynamics of RNA and DNA C tracts

NASA Astrophysics Data System (ADS)

Cohen, Boiko; Larson, Matthew H.; Kohler, Bern

2008-06-01

The excited-state dynamics of the RNA homopolymer of cytosine and of the 18-mer (dC) 18 were studied by steady-state and time-resolved absorption and emission spectroscopy. At pH 6.8, excitation of poly(rC) by a femtosecond UV pump pulse produces excited states that decay up to one order of magnitude more slowly than the excited states formed in the mononucleotide cytidine 5'-monophosphate under the same conditions. Even slower relaxation is observed for the hemiprotonated, self-associated form of poly(rC), which is stable at acidic pH. Transient absorption and time-resolved fluorescence signals for (dC) 18 at pH 6.8 are similar to ones observed for poly(rC) near pH 4, indicating that hemiprotonated structures are found in DNA C tracts at neutral pH. In both systems, there is evidence for two kinds of emitting states with lifetimes of ˜100 ps and slightly more than 1 ns. The former states are responsible for the bulk of emission from the hemiprotonated structures. Evidence suggests that slow electronic relaxation in these self-complexes is the result of vertical base stacking. The similar signals from RNA and DNA C tracts suggest a common base-stacked structure, which may be identical with that of i-motif DNA.

Atmospheric Excitation of Planetary Normal Modes

NASA Technical Reports Server (NTRS)

Tanimoto, Toshiro

2001-01-01

The objectives of this study were to: (1) understand the phenomenon of continuous free oscillations of the Earth and (2) examine the idea of using this phenomenon for planetary seismology. We first describe the results on (1) and present our evaluations of the idea (2) in the final section. In 1997, after almost forty years since the initial attempt by Benioff et al, continuous free oscillations of the Earth were discovered. Spheroidal fundamental modes between 2 and 7 millihertz are excited continuously with acceleration amplitudes of about 0.3-0.5 nanogals. The signal is now commonly found in virtually all data recorded by STS-1 type broadband seismometers at quiet sites. Seasonal variation in amplitude and the existence of two coupled modes between the atmosphere and the solid Earth support that these oscillations are excited by the atmosphere. Stochastic excitation due to atmospheric turbulence is a favored mechanism, providing a good match between theory and data. The atmosphere has ample energy to support this theory because excitation of these modes require only 500-10000 W whereas the atmosphere contains about 117 W of kinetic energy. An application of this phenomenon includes planetary seismology, because other planets may be oscillating due to atmospheric excitation. The interior structure of planets could be learned by determining the eigenfrequencies in the continuous free oscillations. It is especially attractive to pursue this idea for tectonically quiet planets, since quakes may be too infrequent to be recorded by seismic instruments.

Effect of Turbulence Modeling on an Excited Jet

NASA Technical Reports Server (NTRS)

Brown, Clifford A.; Hixon, Ray

2010-01-01

The flow dynamics in a high-speed jet are dominated by unsteady turbulent flow structures in the plume. Jet excitation seeks to control these flow structures through the natural instabilities present in the initial shear layer of the jet. Understanding and optimizing the excitation input, for jet noise reduction or plume mixing enhancement, requires many trials that may be done experimentally or computationally at a significant cost savings. Numerical simulations, which model various parts of the unsteady dynamics to reduce the computational expense of the simulation, must adequately capture the unsteady flow dynamics in the excited jet for the results are to be used. Four CFD methods are considered for use in an excited jet problem, including two turbulence models with an Unsteady Reynolds Averaged Navier-Stokes (URANS) solver, one Large Eddy Simulation (LES) solver, and one URANS/LES hybrid method. Each method is used to simulate a simplified excited jet and the results are evaluated based on the flow data, computation time, and numerical stability. The knowledge gained about the effect of turbulence modeling and CFD methods from these basic simulations will guide and assist future three-dimensional (3-D) simulations that will be used to understand and optimize a realistic excited jet for a particular application.

On the correlation of plume centerline velocity decay of turbulent acoustically excited jets

NASA Technical Reports Server (NTRS)

Vonglahn, Uwe H.

1987-01-01

Acoustic excitation was shown to alter the velocity decay and spreading characteristics of jet plumes by modifying the large-scale structures in the plume shear layer. The present work consists of reviewing and analyzing available published and unpublished experimental data in order to determine the importance and magnitude of the several variables that contribute to plume modification by acoustic excitation. Included in the study were consideration of the effects of internal and external acoustic excitation, excitation Strouhal number, acoustic excitation level, nozzle size, and flow conditions. The last include jet Mach number and jet temperature. The effects of these factors on the plume centerline velocity decay are then summarized in an overall empirical correlation.

On the correlation of plume centerline velocity decay of turbulent acoustically excited jets

NASA Technical Reports Server (NTRS)

Von Glahn, Uwe H.

1987-01-01

Acoustic excitation has been shown to alter the velocity decay and spreading characteristics of jet plumes by modifying the large-scale structures in the plume shear layer. The present work consists of reviewing and analyzing available published and unpublished experimental data in order to determine the importance and magnitude of the several variables that contribute to plume modification by acoustic excitation. Included in the study were consideration of the effects of internal or external acoustic excitation, excitation Strouhal number, acoustic excitation level, nozzle size and flow conditions. The last include jet Mach number and jet temperature. The effects of these factors on the plume centerline velocity decay are then summarized in an overall empirical correlation.

No evidence of reduced collectivity in Coulomb-excited Sn isotopes

NASA Astrophysics Data System (ADS)

Kumar, R.; Saxena, M.; Doornenbal, P.; Jhingan, A.; Banerjee, A.; Bhowmik, R. K.; Dutt, S.; Garg, R.; Joshi, C.; Mishra, V.; Napiorkowski, P. J.; Prajapati, S.; Söderström, P.-A.; Kumar, N.; Wollersheim, H.-J.

2017-11-01

In a series of Coulomb excitation experiments the first excited 2+ states in semimagic Sn 112 ,116 ,118 ,120 ,122 ,124 isotopes were excited using a 58Ni beam at safe Coulomb energy. The B (E 2 ; 0+→2+) values were determined with high precision (˜3 %) relative to 58Ni projectile excitation. These results disagree with previously reported B (E 2 ↑) values [A. Jungclaus et al., Phys. Lett. B 695, 110 (2011)., 10.1016/j.physletb.2010.11.012] extracted from Doppler-shift attenuation lifetime measurements, whereas the reported mass dependence of B (E 2 ↑) values is very similar to a recent Coulomb excitation study [J. M. Allmond et al., Phys. Rev. C 92, 041303(R) (2015), 10.1103/PhysRevC.92.041303]. The stable Sn isotopes, key nuclei in nuclear structure, show no evidence of reduced collectivity and we, thus, reconfirm the nonsymmetric behavior of reduced transition probabilities with respect to the midshell A =116 .

Theoretical Studies of Chemical Reactions following Electronic Excitation

NASA Technical Reports Server (NTRS)

Chaban, Galina M.

2003-01-01

The use of multi-configurational wave functions is demonstrated for several processes: tautomerization reactions in the ground and excited states of the DNA base adenine, dissociation of glycine molecule after electronic excitation, and decomposition/deformation of novel rare gas molecules HRgF. These processes involve bond brealung/formation and require multi-configurational approaches that include dynamic correlation.

Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory level

PubMed Central

Andruniów, Tadeusz; Ferré, Nicolas; Olivucci, Massimo

2004-01-01

We demonstrate that a “brute force” quantum chemical calculation based on an ab initio multiconfigurational second order perturbation theory approach implemented in a quantum mechanics/molecular mechanics strategy can be applied to the investigation of the excited state of the visual pigment rhodopsin (Rh) with a computational error <5 kcal·mol-1. As a consequence, the simulation of the absorption and fluorescence of Rh and its retinal chromophore in solution allows for a nearly quantitative analysis of the factors determining the properties of the protein environment. More specifically, we demonstrate that the Rh environment is more similar to the “gas phase” than to the solution environment and that the so-called “opsin shift” originates from the inability of the solvent to effectively “shield” the chromophore from its counterion. The same strategy is used to investigate three transient structures involved in the photoisomerization of Rh under the assumption that the protein cavity does not change shape during the reaction. Accordingly, the analysis of the initially relaxed excited-state structure, the conical intersection driving the excited-state decay, and the primary isolable bathorhodopsin intermediate supports a mechanism where the photoisomerization coordinate involves a “motion” reminiscent of the so-called bicycle-pedal reaction coordinate. Most importantly, it is shown that the mechanism of the ∼30 kcal·mol-1 photon energy storage observed for Rh is not consistent with a model based exclusively on the change of the electrostatic interaction of the chromophore with the protein/counterion environment. PMID:15604139

Determination of band offset using continuous-wave two-photon excitation in a ZnSe quantum-well waveguide structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wagner, H. P.; Kuhnelt, M.; Wenisch, H.

2001-06-15

We investigate exciton subband transitions in a ZnSe/Zn{sub 1{minus}x}Mg{sub x}S{sub y}Se{sub 1{minus}y} multiple-quantum-well grown by molecular beam epitaxy waveguide structure by photoluminescence excitation and two-photon excitation spectroscopy. A continuous-wave two-photon absorption is realized by an efficient waveguide coupling scheme within the cryostat. From the energetic position of the 1s and 2p exciton transitions exciton binding energies of 33 and 38 meV are deduced for heavy and light-hole excitons, respectively. With these values we are able to determine the strain free and dimensionless conduction-band-offset parameter to Q{sub c}=0.3{+-}0.1.

Excitations and relaxation dynamics in multiferroic GeV4S8 studied by terahertz and dielectric spectroscopy

NASA Astrophysics Data System (ADS)

Reschke, S.; Wang, Zhe; Mayr, F.; Ruff, E.; Lunkenheimer, P.; Tsurkan, V.; Loidl, A.

2017-10-01

We report on THz time-domain spectroscopy on multiferroic GeV4S8 , which undergoes orbital ordering at a Jahn-Teller transition at 30.5 K and exhibits antiferromagnetic order below 14.6 K. The THz experiments are complemented by dielectric experiments at audio and radio frequencies. We identify a low-lying excitation close to 0.5 THz, which is only weakly temperature dependent and probably corresponds to a molecular excitation within the electronic level scheme of the V4 clusters. In addition, we detect complex temperature-dependent behavior of a low-lying phononic excitation, closely linked to the onset of orbitally driven ferroelectricity. In the high-temperature cubic phase, which is paramagnetic and orbitally disordered, this excitation is of relaxational character becomes an overdamped Lorentzian mode in the orbitally ordered phase below the Jahn-Teller transition, and finally appears as well-defined phonon excitation in the antiferromagnetic state. Abrupt changes in the real and imaginary parts of the complex dielectric permittivity show that orbital ordering appears via a structural phase transition with strong first-order character and that the onset of antiferromagnetic order is accompanied by significant structural changes, which are of first-order character, too. Dielectric spectroscopy documents that at low frequencies, significant dipolar relaxations are present in the orbitally ordered, paramagnetic phase only. In contrast to the closely related GaV4S8 , this relaxation dynamics that most likely mirrors coupled orbital and polar fluctuations does not seem to be related to the dynamic processes detected in the THz regime.

Waveguide-excited fluorescence microarray

NASA Astrophysics Data System (ADS)

Sagarzazu, Gabriel; Bedu, Mélanie; Martinelli, Lucio; Ha, Khoi-Nguyen; Pelletier, Nicolas; Safarov, Viatcheslav I.; Weisbuch, Claude; Gacoin, Thierry; Benisty, Henri

2008-04-01

Signal-to-noise ratio is a crucial issue in microarray fluorescence read-out. Several strategies are proposed for its improvement. First, light collection in conventional microarrays scanners is quite limited. It was recently shown that almost full collection can be achieved in an integrated lens-free biosensor, with labelled species hybridizing practically on the surface of a sensitive silicon detector [L. Martinelli et al. Appl. Phys. Lett. 91, 083901 (2007)]. However, even with such an improvement, the ultimate goal of real-time measurements during hybridization is challenging: the detector is dazzled by the large fluorescence of labelled species in the solution. In the present paper we show that this unwanted signal can effectively be reduced if the excitation light is confined in a waveguide. Moreover, the concentration of excitation light in a waveguide results in a huge signal gain. In our experiment we realized a structure consisting of a high index sol-gel waveguide deposited on a low-index substrate. The fluorescent molecules deposited on the surface of the waveguide were excited by the evanescent part of a wave travelling in the guide. The comparison with free-space excitation schemes confirms a huge gain (by several orders of magnitude) in favour of waveguide-based excitation. An optical guide deposited onto an integrated biosensor thus combines both advantages of ideal light collection and enhanced surface localized excitation without compromising the imaging properties. Modelling predicts a negligible penalty from spatial cross-talk in practical applications. We believe that such a system would bring microarrays to hitherto unattained sensitivities.

Observation of excited state charge transfer with fs/ps-CARS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blom, Alex Jason

2009-01-01

Excited state charge transfer processes are studied using the fs/ps-CARS probe technique. This probe allows for multiplexed detection of Raman active vibrational modes. Systems studied include Michler's Ketone, Coumarin 120, 4-dimethylamino-4'-nitrostilbene, and several others. The vibrational spectrum of the para di-substituted benzophenone Michler's Ketone in the first excited singlet state is studied for the first time. It is found that there are several vibrational modes indicative of structural changes of the excited molecule. A combined experimental and theoretical approach is used to study the simplest 7-amino-4-methylcoumarin, Coumarin 120. Vibrations observed in FTIR and spontaneous Raman spectra are assigned using densitymore » functional calculations and a continuum solvation model is used to predict how observed modes are affected upon inclusion of a solvent. The low frequency modes of the excited state charge transfer species 4-dimethylamino-4{prime}-nitrostilbene are studied in acetonitrile. Results are compared to previous work on this molecule in the fingerprint region. Finally, several partially completed projects and their implications are discussed. These include the two photon absorption of Coumarin 120, nanoconfinement in cyclodextrin cavities and sensitization of titania nanoparticles.« less

EEMD-MUSIC-Based Analysis for Natural Frequencies Identification of Structures Using Artificial and Natural Excitations

PubMed Central

Amezquita-Sanchez, Juan P.; Romero-Troncoso, Rene J.; Osornio-Rios, Roque A.; Garcia-Perez, Arturo

2014-01-01

This paper presents a new EEMD-MUSIC- (ensemble empirical mode decomposition-multiple signal classification-) based methodology to identify modal frequencies in structures ranging from free and ambient vibration signals produced by artificial and natural excitations and also considering several factors as nonstationary effects, close modal frequencies, and noisy environments, which are common situations where several techniques reported in literature fail. The EEMD and MUSIC methods are used to decompose the vibration signal into a set of IMFs (intrinsic mode functions) and to identify the natural frequencies of a structure, respectively. The effectiveness of the proposed methodology has been validated and tested with synthetic signals and under real operating conditions. The experiments are focused on extracting the natural frequencies of a truss-type scaled structure and of a bridge used for both highway traffic and pedestrians. Results show the proposed methodology as a suitable solution for natural frequencies identification of structures from free and ambient vibration signals. PMID:24683346

EEMD-MUSIC-based analysis for natural frequencies identification of structures using artificial and natural excitations.

PubMed

Camarena-Martinez, David; Amezquita-Sanchez, Juan P; Valtierra-Rodriguez, Martin; Romero-Troncoso, Rene J; Osornio-Rios, Roque A; Garcia-Perez, Arturo

2014-01-01

This paper presents a new EEMD-MUSIC- (ensemble empirical mode decomposition-multiple signal classification-) based methodology to identify modal frequencies in structures ranging from free and ambient vibration signals produced by artificial and natural excitations and also considering several factors as nonstationary effects, close modal frequencies, and noisy environments, which are common situations where several techniques reported in literature fail. The EEMD and MUSIC methods are used to decompose the vibration signal into a set of IMFs (intrinsic mode functions) and to identify the natural frequencies of a structure, respectively. The effectiveness of the proposed methodology has been validated and tested with synthetic signals and under real operating conditions. The experiments are focused on extracting the natural frequencies of a truss-type scaled structure and of a bridge used for both highway traffic and pedestrians. Results show the proposed methodology as a suitable solution for natural frequencies identification of structures from free and ambient vibration signals.

Minority Achievement Gaps in STEM: Findings of a Longitudinal Study of Project Excite

ERIC Educational Resources Information Center

Olszewski-Kubilius, Paula; Steenbergen-Hu, Saiying; Thomson, Dana; Rosen, Rhoda

2017-01-01

This longitudinal study examined the outcomes of Project Excite on reducing minority students' achievement gaps in STEM over 14 years. Project Excite was designed to provide intensive supplemental enrichment and accelerated programming for high-potential, underrepresented minority students from third through eighth grades to better prepare them…

Effect of Particle Damping on an Acoustically Excited Curved Vehicle Panel Structure with varied Equipment Assemblies

NASA Technical Reports Server (NTRS)

Parsons, David; Smith, Andrew; Knight, Brent; Hunt, Ron; LaVerde, Bruce; Craigmyle, Ben

2012-01-01

Particle dampers provide a mechanism for diverting energy away from resonant structural vibrations. This experimental study provides data from trials to determine how effective use of these dampers might be for equipment mounted to a curved orthogrid vehicle panel. Trends for damping are examined for variations in damper fill level, component mass, and excitation energy. A significant response reduction at the component level would suggest that comparatively small, thoughtfully placed, particle dampers might be advantageously used in vehicle design. The results of this test will be compared with baseline acoustic response tests and other follow-on testing involving a range of isolation and damping methods. Instrumentation consisting of accelerometers, microphones, and still photography data will be collected to correlate with the analytical results.

Sub-50 fs excited state dynamics of 6-chloroguanine upon deep ultraviolet excitation.

PubMed

Mondal, Sayan; Puranik, Mrinalini

2016-05-18

The photophysical properties of natural nucleobases and their respective nucleotides are ascribed to the sub-picosecond lifetime of their first singlet states in the UV-B region (260-350 nm). Electronic transitions of the ππ* type, which are stronger than those in the UV-B region, lie at the red edge of the UV-C range (100-260 nm) in all isolated nucleobases. The lowest energetic excited states in the UV-B region of nucleobases have been investigated using a plethora of experimental and theoretical methods in gas and solution phases. The sub-picosecond lifetime of these molecules is not a general attribute of all nucleobases but specific to the five primary nucleobases and a few xanthine and methylated derivatives. To determine the overall UV photostability, we aim to understand the effect of more energetic photons lying in the UV-C region on nucleobases. To determine the UV-C initiated photophysics of a nucleobase system, we chose a halogen substituted purine, 6-chloroguanine (6-ClG), that we had investigated previously using resonance Raman spectroscopy. We have performed quantitative measurements of the resonance Raman cross-section across the Bb absorption band (210-230 nm) and constructed the Raman excitation profiles. We modeled the excitation profiles using Lee and Heller's time-dependent theory of resonance Raman intensities to extract the initial excited state dynamics of 6-ClG within 30-50 fs after photoexcitation. We found that imidazole and pyrimidine rings of 6-ClG undergo expansion and contraction, respectively, following photoexcitation to the Bb state. The amount of distortions of the excited state structure from that of the ground state structure is reflected by the total internal reorganization energy that is determined at 112 cm(-1). The contribution of the inertial component of the solvent response towards the total reorganization energy was obtained at 1220 cm(-1). In addition, our simulation also yields an instantaneous response of the first

Reflection of a TE-polarised Gaussian beam from a layered structure under conditions of resonance excitation of waveguide modes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sokolov, V I; Marusin, N V; Molchanova, S I

2014-11-30

The problem of reflection of a TE-polarised Gaussian light beam from a layered structure under conditions of resonance excitation of waveguide modes using a total internal reflection prism is considered. Using the spectral approach we have derived the analytic expressions for the mode propagation lengths, widths and depths of m-lines (sharp and narrow dips in the angular dependence of the specular reflection coefficient), depending on the structure parameters. It is shown that in the case of weak coupling, when the propagation lengths l{sub m} of the waveguide modes are mainly determined by the extinction coefficient in the film, the depthmore » of m-lines grows with the mode number m. In the case of strong coupling, when l{sub m} is determined mainly by the radiation of modes into the prism, the depth of m-lines decreases with increasing m. The change in the TE-polarised Gaussian beam shape after its reflection from the layered structure is studied, which is determined by the energy transfer from the incident beam into waveguide modes that propagate along the structure by the distance l{sub m}, are radiated in the direction of specular reflection and interfere with a part of the beam reflected from the working face of the prism. It is shown that this interference can lead to the field intensity oscillations near m-lines. The analysis of different methods for determining the parameters of thin-film structures is presented, including the measurement of mode angles θ{sub m} and the reflected beam shape. The methods are based on simultaneous excitation of a few waveguide modes in the film with a strongly focused monochromatic Gaussian beam, the waist width of which is much smaller than the propagation length of the modes. As an example of using these methods, the refractive index and the thickness of silicon monoxide film on silica substrate at the wavelength 633 nm are determined. (fibre and integrated-optical structures)« less

Multi-quasiparticle excitations in145Tb

NASA Astrophysics Data System (ADS)

Zheng, Yong; Zhou, Xiaohong; Zhang, Yuhu; Liu, Minliang; Guo, Yingxiang; Lei, Xiangguo; Hayakawa, T.; Oshima, M.; Toh, T.; Shizuma, T.; Katakura, J.; Hatsukawa, Y.; Matsuda, M.; Kusakari, H.; Sugawara, M.

2004-09-01

High-spin states in145Tb have been populated using the118Sn (32S, 1p4n) reaction at beam energy of 165 MeV. The level scheme of145Tb has been established up to Ex≈7.4 MeV. The level scheme shows characteristics of a spherical or slightly oblate nucleus. Based on the systematic trends of the level structure in the neighboring N=80 isotones, the level structure in145Tb below 2 MeV excitation is well eplained by coupling an h 11/2 valence proton to the even-even144Gd core. Above 2 MeV excitation, most of the yrast levels are interpreted with multi-quasiparticle shell-model configurations.

SSME/side loads analysis for flight configuration, revision A. [structural analysis of space shuttle main engine under side load excitation

NASA Technical Reports Server (NTRS)

Holland, W.

1974-01-01

This document describes the dynamic loads analysis accomplished for the Space Shuttle Main Engine (SSME) considering the side load excitation associated with transient flow separation on the engine bell during ground ignition. The results contained herein pertain only to the flight configuration. A Monte Carlo procedure was employed to select the input variables describing the side load excitation and the loads were statistically combined. This revision includes an active thrust vector control system representation and updated orbiter thrust structure stiffness characteristics. No future revisions are planned but may be necessary as system definition and input parameters change.

Experimental and computational studies on the electronic excited states of nitrobenzene

NASA Astrophysics Data System (ADS)

Krishnakumar, Sunanda; Das, Asim Kumar; Singh, Param Jeet; Shastri, Aparna; Rajasekhar, B. N.

2016-11-01

The gas phase electronic absorption spectrum of nitrobenzene (C6H5NO2) in the 4.5-11.2 eV region is recorded using synchrotron radiation with a view to comprehend the nature of the excited states. Electronic excited states of nitrobenzene are mainly classified as local excitations within the benzene ring or nitro group and charge transfer excitations between the benzene and nitro group, with some transitions showing percentage from both. The nature of molecular orbitals, their orderings and energies are obtained from density functional theory calculations which help in assigning partially assigned/unassigned features in earlier photoelectron spectroscopy studies. Optimized geometry of ionic nitrobenzene predicts redistribution of charge density in the benzene ring rather than the nitro group resulting in stabilization of the benzene ring π orbitals in comparison to the neutral molecule. Time dependent density functional theory computations are found to describe the experimental spectra well with respect to energies, relative intensities and nature of the observed transitions in terms of valence, Rydberg or charge transfer type. New insights into the interpretation of 1B2u←1A1g and 1B1u←1A1g shifted benzene transitions in light of the present computational calculations are presented. The first few members of the ns, np and nd type Rydberg series in nitrobenzene, converging to the first six ionization potentials, identified in the spectra as weak but sharp peaks are reported for the first time. In general, transitions to the lowest three unoccupied molecular orbitals 4b1, 3a2 and 5b1 are valence or charge transfer in nature, while excitations to higher orbitals are predominantly Rydberg in nature. This work presents a consolidated experimental study and theoretical interpretation of the electronic absorption spectrum of nitrobenzene.

Shear layer excitation, experiment versus theory

NASA Technical Reports Server (NTRS)

Bechert, D. W.; Stahl, B.

1984-01-01

The acoustical excitation of shear layers is investigated. Acoustical excitation causes the so-called orderly structures in shear layers and jets. Also, the deviations in the spreading rate between different shear layer experiments are due to the same excitation mechanism. Measurements in the linear interaction region close to the edge from which the shear layer is shed are examined. Two sets of experiments (Houston 1981 and Berlin 1983/84) are discussed. The measurements were carried out with shear layers in air using hot wire anemometers and microphones. The agreement between these measurements and the theory is good. Even details of the fluctuating flow field correspond to theoretical predictions, such as the local occurrence of negative phase speeds.

Semi-active control of a cable-stayed bridge under multiple-support excitations.

PubMed

Dai, Ze-Bing; Huang, Jin-Zhi; Wang, Hong-Xia

2004-03-01

This paper presents a semi-active strategy for seismic protection of a benchmark cable-stayed bridge with consideration of multiple-support excitations. In this control strategy, Magnetorheological (MR) dampers are proposed as control devices, a LQG-clipped-optimal control algorithm is employed. An active control strategy, shown in previous researches to perform well at controlling the benchmark bridge when uniform earthquake motion was assumed, is also used in this study to control this benchmark bridge with consideration of multiple-support excitations. The performance of active control system is compared to that of the presented semi-active control strategy. Because the MR fluid damper is a controllable energy- dissipation device that cannot add mechanical energy to the structural system, the proposed control strategy is fail-safe in that bounded-input, bounded-output stability of the controlled structure is guaranteed. The numerical results demonstrated that the performance of the presented control design is nearly the same as that of the active control system; and that the MR dampers can effectively be used to control seismically excited cable-stayed bridges with multiple-support excitations.

Magnetic Excitation for Spin Vibration Testing

NASA Technical Reports Server (NTRS)

Johnson, Dexter; Mehmed, Oral; Brown, Gerald V.

1997-01-01

The Dynamic Spin Rig Laboratory (DSRL) at the NASA Lewis Research Center is a facility used for vibration testing of structures under spinning conditions. The current actuators used for excitation are electromagnetic shakers which are configured to apply torque to the rig's vertical rotor. The rotor is supported radially and axially by conventional bearings. Current operation is limited in rotational speed, excitation capability, and test duration. In an effort to enhance its capabilities, the rig has been initially equipped with a radial magnetic bearing which provides complementary excitation and shaft support. The new magnetic feature has been used in actual blade vibration tests and its performance has been favorable. Due to the success of this initial modification further enhancements are planned which include making the system fully magnetically supported. This paper reports on this comprehensive effort to upgrade the DSRL with an emphasis on the new magnetic excitation capability.

Vibrational spectroscopy of the electronically excited state. 4. Nanosecond and picosecond time-resolved resonance Raman spectroscopy of carotenoid excited states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dallinger, R.F.; Farquharson, S.; Woodruff, W.H.

Resonance Raman and electronic absorption spectra are reported for the S/sub 0/ and T/sub 1/ states of the carotenoids ..beta..-carotene, zeaxanthin, echinenone, canthaxanthin, dihydroxylycopene, astaxanthin, decapreno(C/sub 50/)-..beta..-carotene, ..beta..-apo-8'-carotenal, and ethyl ..beta..-apo-8'-carotenoate. The results reveal qualitatively similar ground-state spectra and similar frequency shifts in all observed resonance Raman modes between S/sub 0/ and T/sub 1/, regardless of carotenoid structure. Examinations of the relationship of the putative C--C and C==C frequencies in S/sub 0/ and T/sub 1/ reveals anomalous shifts to lower frequency in the ''single-bond'' mode upon electronic excitation. These shifts may be due to molecular distortions in the excited statemore » which force changes in molecular motions comprising the observed modes. However, another possibility requiring no distortion is that the interaction (off-diagonal) force constants connecting the C--C and C==C modes change sign upon electronic excitation. This latter phenomenon may provide a unitary explanation for the ''anomalous'' frequency shifts in the C--C and C==C modes, both in the T/sub 1/ states of carotenoids and in the S/sub 1/ states of simpler polyenes, without postulating large, unpredicted structural changes upon excitation or general errors in existing vibrational or theoretical analyses. Resonance Raman and absorbance studies with 35-ps time resolution suggest that S/sub 1/ lifetime (of the /sup 1/B/sub u/ and/or the /sup 1/A/sub g/* states) of ..beta..-carotene in benzene is less than 1 ps.« less

Electronic structure and charge transfer excited states of endohedral fullerene containing electron donoracceptor complexes utilized in organic photovoltaics

NASA Astrophysics Data System (ADS)

Amerikheirabadi, Fatemeh

Organic Donor-Acceptor complexes form the main component of the organic photovoltaic devices (OPVs). The open circuit voltage of OPVs is directly related to the charge transfer excited state energies of these complexes. Currently a large number of different molecular complexes are being tested for their efficiency in photovoltaic devices. In this work, density functional theory as implemented in the NRLMOL code is used to investigate the electronic structure and related properties of these donor-acceptor complexes. The charge transfer excitation energies are calculated using the perturbative delta self-consistent field method recently developed in our group as the standard time dependent density functional approaches fail to accurately provide them. The model photovoltaics systems analyzed are as follows: Sc3N C 80--ZnTPP, Y3 N C80-- ZnTPP and Sc3 N C80-- ZnPc. In addition, a thorough analysis of the isolated donor and acceptor molecules is also provided. The studied acceptors are chosen from a class of fullerenes named trimetallic nitride endohedral fullerenes. These molecules have shown to possess advantages as acceptors such as long lifetimes of the charge-separated states.

Magnetic structures and excitations in a multiferroic Y-type hexaferrite BaSrCo 2 Fe 11 AlO 22

DOE PAGES

Nakajima, Taro; Tokunaga, Yusuke; Matsuda, Masaaki; ...

2016-11-30

Here, we have investigated magnetic orders and excitations in a Y-type hexaferrite BaSrCo 2Fe 11AlO 22 (BSCoFAO), which was reported to exhibit spin-driven ferroelectricity at room temperature. By means of magnetization, electric polarization, and neutron-diffraction measurements using single-crystal samples, we establish a H-T magnetic phase diagram for magnetic field perpendicular to the c axis (H ⟂c). This system exhibits an alternating longitudinal conical (ALC) magnetic structure in the ground state, and it turns into a non-co-planar commensurate magnetic order with spin-driven ferroelectricity under H ⟂c. The field-induced ferroelectric phase remains as a metastable state after removing magnetic field below 250more » K. This metastability is the key to understanding of magnetic field reversal of the spin-driven electric polarization in this system. Inelastic polarized neutron-scattering measurements in the ALC phase reveal a magnetic excitation at around 7.5 meV, which is attributed to spin components oscillating in a plane perpendicular to the cone axis. This phasonlike excitation is expected to be an electric-field active magnon, i.e., electromagnon excitation, in terms of the magnetostriction mechanism.« less

Magnetic structures and excitations in a multiferroic Y-type hexaferrite BaSrCo2Fe11AlO22

NASA Astrophysics Data System (ADS)

Nakajima, Taro; Tokunaga, Yusuke; Matsuda, Masaaki; Dissanayake, Sachith; Fernandez-Baca, Jaime; Kakurai, Kazuhisa; Taguchi, Yasujiro; Tokura, Yoshinori; Arima, Taka-hisa

2016-11-01

We have investigated magnetic orders and excitations in a Y-type hexaferrite BaSrCo2Fe11AlO22 (BSCoFAO), which was reported to exhibit spin-driven ferroelectricity at room temperature [S. Hirose, K. Haruki, A. Ando, and T. Kimura, Appl. Phys. Lett. 104, 022907 (2014), 10.1063/1.4862432]. By means of magnetization, electric polarization, and neutron-diffraction measurements using single-crystal samples, we establish a H -T magnetic phase diagram for magnetic field perpendicular to the c axis (H⊥c). This system exhibits an alternating longitudinal conical (ALC) magnetic structure in the ground state, and it turns into a non-co-planar commensurate magnetic order with spin-driven ferroelectricity under H⊥c. The field-induced ferroelectric phase remains as a metastable state after removing magnetic field below ˜250 K. This metastability is the key to understanding of magnetic field reversal of the spin-driven electric polarization in this system. Inelastic polarized neutron-scattering measurements in the ALC phase reveal a magnetic excitation at around 7.5 meV, which is attributed to spin components oscillating in a plane perpendicular to the cone axis. This phasonlike excitation is expected to be an electric-field active magnon, i.e., electromagnon excitation, in terms of the magnetostriction mechanism.

Deactivation via ring opening: A quantum chemical study of the excited states of furan and comparison to thiophene

NASA Astrophysics Data System (ADS)

Gavrilov, Nemanja; Salzmann, Susanne; Marian, Christel M.

2008-06-01

Minimum nuclear arrangements of the ground and low-lying excited electronic states of furan were obtained by means of (time dependent) Kohn-Sham density functional theory. A combined density functional/multi-reference configuration interaction method (DFT/MRCI) was employed to compute the spectral properties at these points. Multiple minima were found on the first excited singlet (S 1) potential energy hypersurface with electronic structures S1, S2, S3 corresponding to the 1 1A 2 (π → 3s-Ryd), 1 1B 2 (π → π ∗), and 2 1A 1 (π → π ∗) states in the vertical absorption spectrum, respectively. In analogy to recently published studies in thiophene [S. Salzmann, M. Kleinschmidt, J. Tatchen, R. Weinkauf, C.M. Marian, Phys. Chem. Chem. Phys. 10 (2008) 380] a deactivation mechanism for electronically excited furan was detected that involves the opening of the pentacyclic ring. We found a nearly barrierless relaxation pathway from the Franck-Condon region along a C-O bond-breaking coordinate. Hereby the initially excited 1B 2 (π → π ∗) state undergoes a conical intersection with a 1B 1 (π → σ ∗) state. The system can return to the electronic ground state through a second conical intersection of the 1(π → σ ∗) state before the minimum of that B 1 state is reached.

Cryogenic exciter

DOEpatents

Bray, James William [Niskayuna, NY; Garces, Luis Jose [Niskayuna, NY

2012-03-13

The disclosed technology is a cryogenic static exciter. The cryogenic static exciter is connected to a synchronous electric machine that has a field winding. The synchronous electric machine is cooled via a refrigerator or cryogen like liquid nitrogen. The static exciter is in communication with the field winding and is operating at ambient temperature. The static exciter receives cooling from a refrigerator or cryogen source, which may also service the synchronous machine, to selected areas of the static exciter and the cooling selectively reduces the operating temperature of the selected areas of the static exciter.

A numerical study of active structural acoustic control in a stiffened, double wall cylinder

NASA Technical Reports Server (NTRS)

Grosveld, Ferdinand W.; Coats, T. J.; Lester, H. C.; Silcox, R. J.

1994-01-01

It is demonstrated that active structural acoustic control of complex structural/acoustic coupling can be numerically modeled using finite element and boundary element techniques in conjunction with an optimization procedure to calculate control force amplitudes. Appreciable noise reduction is obtained when the structure is excited at a structural resonance of the outer shell or an acoustic resonance of the inner cavity. Adding ring stiffeners as a connection between the inner and outer shells provides an additional structural transmission path to the interior cavity and coupled the modal behavior of the inner and outer shells. For the case of excitation at the structural resonance of the unstiffened outer shell, adding the stiffeners raises the structural resonance frequencies. The effectiveness of the control forces is reduced due to the off resonance structural response. For excitation at an acoustic cavity resonance, the controller effectiveness is enhanced.

Ultrafast-electron-diffraction studies of predamaged tungsten excited by femtosecond optical pulses

NASA Astrophysics Data System (ADS)

Mo, M.; Chen, Z.; Li, R.; Wang, Y.; Shen, X.; Dunning, M.; Weathersby, S.; Makasyuk, I.; Coffee, R.; Zhen, Q.; Kim, J.; Reid, A.; Jobe, K.; Hast, C.; Tsui, Y.; Wang, X.; Glenzer, S.

2016-10-01

Tungsten is considered as the main candidate material for use in the divertor of magnetic confinement fusion reactors. However, radiation damage is expected to occur because of its direct exposure to the high flux of hot plasma and energetic neutrons in fusion environment. Hence, understanding the material behaviors of W under these adverse conditions is central to the design of magnetic fusion reactors. To do that, we have recently developed an MeV ultrafast electron diffraction probe to resolve the structural evolution of optically excited tungsten. To simulate the radiation damage effect, the tungsten samples were bombarded with 500 keV Cu ions. The pre-damaged and pristine W's were excited by 130fs, 400nm laser pulses, and the subsequent heated system was probed with 3.2MeV electrons. The pump probe measurement shows that the ion bombardment to the W leads to larger decay in Bragg peak intensities as compared to pristine W, which may be due to a phonon softening effect. The measurement also shows that pre-damaged W transitions into complete liquid phase for conditions where pristine W stays solid. Our new capability is able to test the theories of structural dynamics of W under conditions relevant to fusion reactor environment. The research was funded by DOE Fusion Energy Science under FWP #100182.

Experimental study on control performance of tuned liquid column dampers considering different excitation directions

NASA Astrophysics Data System (ADS)

Altunişik, Ahmet Can; Yetişken, Ali; Kahya, Volkan

2018-03-01

This paper gives experimental tests' results for the control performance of Tuned Liquid Column Dampers (TLCDs) installed on a prototype structure exposed to ground motions with different directions. The prototype structure designed in the laboratory consists of top and bottom plates with four columns. Finite element analyses and ambient vibration tests are first performed to extract the natural frequencies and mode shapes of the structure. Then, the damping ratio of the structure as well as the resonant frequency, head-loss coefficient, damping ratio, and water height-frequency diagram of the designed TLCD are obtained experimentally by the shaking table tests. To investigate the effect of TLCDs on the structural response, the prototype structure-TLCD coupled system is considered later, and its natural frequencies and related mode shapes are obtained numerically. The acceleration and displacement time-histories are obtained by the shaking table tests to evaluate its damping ratio. To consider different excitation directions, the measurements are repeated for the directions between 0° and 90° with 15° increment. It can be concluded from the study that TLCD causes to decrease the resonant frequency of the structure with increasing of the total mass. Damping ratio considerably increases with installing TLCD on the structure. This is more pronounced for the angles of 0°, 15°, 30° and 45°.

The low-lying electronic excitations in long polyenes: A PPP-MRD-CI study

NASA Astrophysics Data System (ADS)

Tavan, Paul; Schulten, Klaus

1986-12-01

A correct description of the electronic excitations in polyenes demands that electron correlation is accounted for correctly. Very large expansions are necessary including many-electron configurations with at least one, two, three, and four electrons promoted from the Hartree-Fock ground state. The enormous size of such expansions had prohibited accurate computations of the spectra for polyenes with more than ten π electrons. We present a multireference double excitation configuration interaction method (MRD-CI) which allows such computations for polyenes with up to 16 π electrons. We employ a Pariser-Parr-Pople (PPP) model Hamiltonian. For short polyenes with up to ten π electrons our calculations reproduce the excitation energies resulting from full-CI calculations. We extend our calculations to study the low-lying electronic excitations of the longer polyenes, in particular, the gap between the first optically forbidden and the first optically allowed excited singlet state. The size of this gap is shown to depend strongly on the degree of bond alternation and on the dielectric shielding of the Coulomb repulsion between the π electrons.

Robust Population Inversion by Polarization Selective Pulsed Excitation

PubMed Central

Mantei, D.; Förstner, J.; Gordon, S.; Leier, Y. A.; Rai, A. K.; Reuter, D.; Wieck, A. D.; Zrenner, A.

2015-01-01

The coherent state preparation and control of single quantum systems is an important prerequisite for the implementation of functional quantum devices. Prominent examples for such systems are semiconductor quantum dots, which exhibit a fine structure split single exciton state and a V-type three level structure, given by a common ground state and two distinguishable and separately excitable transitions. In this work we introduce a novel concept for the preparation of a robust inversion by the sequential excitation in a V-type system via distinguishable paths. PMID:26000910

Reversal in Spreading of a Tabbed Circular Jet Under Controlled Excitation

NASA Technical Reports Server (NTRS)

Zaman, K. B. M. Q.; Raman, G.

1997-01-01

Detailed flow field measurements have been carried out for a turbulent circular jet perturbed by tabs and artificial excitation. Two "delta tabs" were placed at the nozzle exit at diametricall opposite y locations. The excitation condition involved subharmonic resonance that manifested in a periodic vortex pairing in the near flow field. While the excitation and the tabs independently increased jet spreading, a combination of the two diminished the effect. The jet spreading was most pronounced with the tabs but was reduced when excitation was applied to the tabbed jet. The tabs generated streamwise vortex pairs that caused a lateral spreading of the jet in a direction perpendicular to the plane containing the tabs. ne excitation, on the other hand, organized the azimuthal vorticity into coherent ring structures whose evolution and pairing also increased entrainment by the jet. In the tabbed case, the excitation produced coherent azimuthal structures that were distorted and asymmetric in shape. The self-induction of these structures produced an effect that opposed the tendency for the lateral spreading of the streamwise vortex pairs. The passage of the distorted vortices, and their pairing, also had a cancellation effect on the time-averaged streamwise vorticity field. These led to the reduction in jet spreading.

Dynamic study of excited state hydrogen-bonded complexes of harmane in cyclohexane-toluene mixtures.

PubMed

Carmona, Carmen; Balón, Manuel; Galán, Manuel; Guardado, Pilar; Muñoz, María A

2002-09-01

Photoinduced proton transfer reactions of harmane or 1-methyl-9H-pyrido[3,4-b]indole (HN) in the presence of the proton donor hexafluoroisopropanol (HFIP) in cyclohexane-toluene mixtures (CY-TL; 10% vol/vol of TL) have been studied. Three excited state species have been identified: a 1:2 hydrogen-bonded proton transfer complex (PTC), between the pyridinic nitrogen of the substrate and the proton donor, a hydrogen-bonded cation-like exciplex (CL*) with a stoichiometry of at least 1:3 and a zwitterionic exciplex (Z*). Time-resolved fluorescence measurements evidence that upon excitation of ground state PTC, an excited state equilibrium is established between PTC* and the cationlike exciplex, CL*, lambdaem approximately/= 390 nm. This excited state reaction is assisted by another proton donor molecule. Further reaction of CL* with an additional HFIP molecule produces the zwitterionic species, Z*, lambda(em) approximately/= 500 nm. From the analysis of the multiexponential decays, measured at different emission wavelengths and as a function of HFIP concentration, the mechanism of these excited state reactions has been established. Thus, three rate constants and three reciprocal lifetimes have been determined. The simultaneous study of 1,9-dimethyl-9H-pyrido[3,4-b]indole (MHN) under the same experimental conditions has helped to understand the excited state kinetics of these processes.

Noise-induced escape in an excitable system

NASA Astrophysics Data System (ADS)

Khovanov, I. A.; Polovinkin, A. V.; Luchinsky, D. G.; McClintock, P. V. E.

2013-03-01

We consider the stochastic dynamics of escape in an excitable system, the FitzHugh-Nagumo (FHN) neuronal model, for different classes of excitability. We discuss, first, the threshold structure of the FHN model as an example of a system without a saddle state. We then develop a nonlinear (nonlocal) stability approach based on the theory of large fluctuations, including a finite-noise correction, to describe noise-induced escape in the excitable regime. We show that the threshold structure is revealed via patterns of most probable (optimal) fluctuational paths. The approach allows us to estimate the escape rate and the exit location distribution. We compare the responses of a monostable resonator and monostable integrator to stochastic input signals and to a mixture of periodic and stochastic stimuli. Unlike the commonly used local analysis of the stable state, our nonlocal approach based on optimal paths yields results that are in good agreement with direct numerical simulations of the Langevin equation.

Fibroblast proliferation alters cardiac excitation conduction and contraction: a computational study.

PubMed

Zhan, He-qing; Xia, Ling; Shou, Guo-fa; Zang, Yun-liang; Liu, Feng; Crozier, Stuart

2014-03-01

In this study, the effects of cardiac fibroblast proliferation on cardiac electric excitation conduction and mechanical contraction were investigated using a proposed integrated myocardial-fibroblastic electromechanical model. At the cellular level, models of the human ventricular myocyte and fibroblast were modified to incorporate a model of cardiac mechanical contraction and cooperativity mechanisms. Cellular electromechanical coupling was realized with a calcium buffer. At the tissue level, electrical excitation conduction was coupled to an elastic mechanics model in which the finite difference method (FDM) was used to solve electrical excitation equations, and the finite element method (FEM) was used to solve mechanics equations. The electromechanical properties of the proposed integrated model were investigated in one or two dimensions under normal and ischemic pathological conditions. Fibroblast proliferation slowed wave propagation, induced a conduction block, decreased strains in the fibroblast proliferous tissue, and increased dispersions in depolarization, repolarization, and action potential duration (APD). It also distorted the wave-front, leading to the initiation and maintenance of re-entry, and resulted in a sustained contraction in the proliferous areas. This study demonstrated the important role that fibroblast proliferation plays in modulating cardiac electromechanical behaviour and which should be considered in planning future heart-modeling studies.

Fibroblast proliferation alters cardiac excitation conduction and contraction: a computational study*

PubMed Central

Zhan, He-qing; Xia, Ling; Shou, Guo-fa; Zang, Yun-liang; Liu, Feng; Crozier, Stuart

2014-01-01

In this study, the effects of cardiac fibroblast proliferation on cardiac electric excitation conduction and mechanical contraction were investigated using a proposed integrated myocardial-fibroblastic electromechanical model. At the cellular level, models of the human ventricular myocyte and fibroblast were modified to incorporate a model of cardiac mechanical contraction and cooperativity mechanisms. Cellular electromechanical coupling was realized with a calcium buffer. At the tissue level, electrical excitation conduction was coupled to an elastic mechanics model in which the finite difference method (FDM) was used to solve electrical excitation equations, and the finite element method (FEM) was used to solve mechanics equations. The electromechanical properties of the proposed integrated model were investigated in one or two dimensions under normal and ischemic pathological conditions. Fibroblast proliferation slowed wave propagation, induced a conduction block, decreased strains in the fibroblast proliferous tissue, and increased dispersions in depolarization, repolarization, and action potential duration (APD). It also distorted the wave-front, leading to the initiation and maintenance of re-entry, and resulted in a sustained contraction in the proliferous areas. This study demonstrated the important role that fibroblast proliferation plays in modulating cardiac electromechanical behaviour and which should be considered in planning future heart-modeling studies. PMID:24599687

Maximizing direct current power delivery from bistable vibration energy harvesting beams subjected to realistic base excitations

NASA Astrophysics Data System (ADS)

Dai, Quanqi; Harne, Ryan L.

2017-04-01

Effective development of vibration energy harvesters is required to convert ambient kinetic energy into useful electrical energy as power supply for sensors, for example in structural health monitoring applications. Energy harvesting structures exhibiting bistable nonlinearities have previously been shown to generate large alternating current (AC) power when excited so as to undergo snap-through responses between stable equilibria. Yet, most microelectronics in sensors require rectified voltages and hence direct current (DC) power. While researchers have studied DC power generation from bistable energy harvesters subjected to harmonic excitations, there remain important questions as to the promise of such harvester platforms when the excitations are more realistic and include both harmonic and random components. To close this knowledge gap, this research computationally and experimentally studies the DC power delivery from bistable energy harvesters subjected to such realistic excitation combinations as those found in practice. Based on the results, it is found that the ability for bistable energy harvesters to generate peak DC power is significantly reduced by introducing sufficient amount of stochastic excitations into an otherwise harmonic input. On the other hand, the elimination of a low amplitude, coexistent response regime by way of the additive noise promotes power delivery if the device was not originally excited to snap-through. The outcomes of this research indicate the necessity for comprehensive studies about the sensitivities of DC power generation from bistable energy harvester to practical excitation scenarios prior to their optimal deployment in applications.

Cortical excitability in tramadol dependent patients: A transcranial magnetic stimulation study.

PubMed

Khedr, Eman M; Gabra, Romany H; Noaman, Mostafa; Abo Elfetoh, Noha; Farghaly, Hanan S M

2016-12-01

Addiction to tramadol, a widely used analgesic, is becoming increasingly common. Tramadol can also induce seizures even after a single clinical dose. We tested whether the epileptogenicity of tramadol was associated with any changes in cortical excitability and inhibitory transmission using transcranial magnetic stimulation (TMS). The study included 16 tramadol dependent patients and 15 age and sex matched healthy volunteers. Clinical evaluation was conducted using an addiction severity index. TMS assessment of excitability was conducted on the motor cortex since the response to each TMS pulse at that site is easily measured in terms of the amplitude of the twitches it evokes in contralateral muscles. Measures included resting and active motor threshold (RMT and AMT respectively), motor evoked potential (MEP) amplitude, cortical silent period (CSP) duration, transcallosal inhibition (TCI), and short interval intracortical inhibition and facilitation (SICI and ICF respectively). Urinary level of tramadol was measured immediately before assessing cortical excitability in each patient. RMT and AMT were significantly lower, the duration of the CSP was shorter and SICI was reduced in patients compared with the control group. These findings are suggestive of increased neural excitability and reduced GABAergic inhibition following exposure to tramadol. Also there were negative correlations between the severity of tramadol dependence and a number of cortical excitability parameters (AMT, RMT, and CSP with P=0.002, 0.005, and 0.04 respectively). The results provide evidence for hyperexcitability of the motor cortex coupled with inhibitory deficits in tramadol dependent patients. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Injection locking of an electronic maser in the hard excitation mode

NASA Astrophysics Data System (ADS)

Yakunina, K. A.; Kuznetsov, A. P.; Ryskin, N. M.

2015-11-01

The phenomenon of hard excitation is natural for many electronic oscillators. In particular, in a gyrotron, a maximal efficiency is often attained in the hard excitation regime. In this paper, we study the injection-locking phenomena using two models of an electronic maser in the hard excitation mode. First, bifurcation analysis is performed for the quasilinear model described by ordinary differential equations for the slow amplitude and phase. Two main scenarios of transition to the injection-locked mode are described, which are generalizations of the well-known phase-locking and suppression mechanisms. The results obtained for the quasilinear model are confirmed by numerical simulations of a gyrotron with fixed Gaussian structure of the RF field.

Probing optical excitations in chevron-like armchair graphene nanoribbons.

PubMed

Denk, Richard; Lodi-Rizzini, Alberto; Wang, Shudong; Hohage, Michael; Zeppenfeld, Peter; Cai, Jinming; Fasel, Roman; Ruffieux, Pascal; Berger, Reinhard Franz Josef; Chen, Zongping; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus; Biagi, Roberto; De Renzi, Valentina; Prezzi, Deborah; Ruini, Alice; Ferretti, Andrea

2017-11-30

The bottom-up fabrication of graphene nanoribbons (GNRs) has opened new opportunities to specifically tune their electronic and optical properties by precisely controlling their atomic structure. Here, we address excitation in GNRs with periodic structural wiggles, the so-called chevron GNRs. Based on reflectance difference and high-resolution electron energy loss spectroscopies together with ab initio simulations, we demonstrate that their excited-state properties are of excitonic nature. The spectral fingerprints corresponding to different reaction stages in their bottom-up fabrication are also unequivocally identified, allowing us to follow the exciton build-up from the starting monomer precursor to the final GNR structure.

Spectrum and Structure of Excited Baryons with CLAS

NASA Astrophysics Data System (ADS)

Burkert, Volker D.

2017-01-01

In this contribution I discuss recent results in light quark baryon spectroscopy involving CLAS data and higher level analysis results from the partial wave analysis by the Bonn-Gatchina group. New baryon states were discovered largely based on the open strangeness production channels γp → K+Λ and γp → K+Σ0. The data illustrate the great potential of the kaon-hyperon channel in the discovery of higher mass baryon resonances in s-channel production. Other channels with discovery potential, such as γp → pω and γp → ϕp are also discussed. In the second part I will demonstrate on data the sensitivity of meson electroproduction to expose the active degrees of freedom underlying resonance transitions as a function of the probed distance scale. For several of the prominent excited states in the lower mass range the short distance behavior is described by a core of three dressed-quarks with running quark mass, and meson-baryon contributions make up significant parts of the excitation strength at large distances. Finally, I give an outlook of baryon resonance physics at the 12 GeV CEBAF electron accelerator. Talk presented at the CRC-16 Symposium, Bonn University, June 6-9, 2016.

Three-dimensional structure and multistable optical switching of triple-twisted particle-like excitations in anisotropic fluids.

PubMed

Smalyukh, Ivan I; Lansac, Yves; Clark, Noel A; Trivedi, Rahul P

2010-02-01

Control of structures in soft materials with long-range order forms the basis for applications such as displays, liquid-crystal biosensors, tunable lenses, distributed feedback lasers, muscle-like actuators and beam-steering devices. Bistable, tristable and multistable switching of well-defined structures of molecular alignment is of special interest for all of these applications. Here we describe the facile optical creation and multistable switching of localized configurations in the molecular orientation field of a chiral nematic anisotropic fluid. These localized chiro-elastic particle-like excitations--dubbed 'triple-twist torons'--are generated by vortex laser beams and embed the localized three-dimensional (3D) twist into a uniform background. Confocal polarizing microscopy and computer simulations reveal their equilibrium internal structures, manifesting both skyrmion-like and Hopf fibration features. Robust generation of torons at predetermined locations combined with both optical and electrical reversible switching can lead to new ways of multistable structuring of complex photonic architectures in soft materials.

The molecular mechanism of excitation in visual transduction and bacteriorhodopsin

PubMed Central

Lewis, Aaron

1978-01-01

An electronic theory of excitation is proposed and described in terms of a three-dimensional excited/ground-state energy surface which elucidates the photochemical and excited-state dynamics of rhodopsins. In this theory the primary action of light is to produce significant electron redistribution in the retinal, thereby generating new interactions that vibrationally excite and perturb the ground-state protein conformation. Thus, light energy causes charge redistribution in the retinal and induces transient charge-density assisted bond rearrangements (such as proton translocation) in the protein structure which is stabilized by subsequent retinal structural alteration. In this theory the isoprenoid chain of the retinal is considered a structurally pliable molecular entity that can generate charge redistributions and can be subsequently achieve intermediate conformations or various isomeric states to minimize the energy of the new protein structure generated by light. Thus, the 11-cis to all trans isomerization of the retinylidene chromophore is not considered a primary mechanism of excitation. An alternate biological role for this molecular process (which is eventually completed in all photoreceptors but not in bacterial rhodopsins) is to provide the irreversibility needed for effective quantum detection on the time scale of a neural response. Finally, it will be demonstrated that this mechanism, which readily accounts for the photophysical and photochemical data, can also be restated in terms of the Monod, Wyman, and Changeux terminology suggesting that aggregates of these pigments may function allosterically. PMID:273216

Red and blue shift of liquid water's excited states: A many body perturbation study

NASA Astrophysics Data System (ADS)

Ziaei, Vafa; Bredow, Thomas

2016-08-01

In the present paper, accurate optical absorption spectrum of liquid H2O is calculated in the energy range of 5-20 eV to probe the nature of water's excited states by means of many body perturbation approach. Main features of recent inelastic X-ray measurements are well reproduced, such as a bound excitonic peak at 7.9 eV with a shoulder at 9.4 eV as well as the absorption maximum at 13.9 eV, followed by a broad shoulder at 18.4 eV. The spectrum is dominated by excitonic effects impacting the structures of the spectrum at low and higher energy regimes mixed by single particle effects at high energies. The exciton distribution of the low-energy states, in particular of S1, is highly anisotropic and localized mostly on one water molecule. The S1 state is essentially a HOCO-LUCO (highest occupied crystal orbital - lowest unoccupied crystal orbital) transition and of intra-molecular type, showing a localized valence character. Once the excitation energy is increased, a significant change in the character of the electronically excited states occurs, characterized through emergence of multiple quasi-particle peaks at 7.9 eV in the quasi-particle (QP) transition profile and in the occurring delocalized exciton density distribution, spread over many more water molecules. The exciton delocalization following a change of the character of excited states at around 7.9 eV causes the blue shift of the first absorption band with respect to water monomer S1. However, due to reduction of the electronic band gap from gas to liquid phase, following enhanced screening upon condensation, the localized S1 state of liquid water is red-shifted with respect to S1 state of water monomer. For higher excitations, near vertical ionization energy (11 eV), quasi-free electrons emerge, in agreement with the conduction band electron picture. Furthermore, the occurring red and blue shift of the excited states are independent of the coupling of resonant and anti-resonant contributions to the

Laser-muon spin spectroscopy in liquids - a technique to study the excited state chemistry of transients.

PubMed

Ghandi, Khashayar; Clark, Ian P; Lord, James S; Cottrell, Stephen P

2007-01-21

This study introduces laser-muon spin spectroscopy in the liquid phase, which extends muonium chemistry in liquids to the realm of excited states and enables the detection of muoniated molecules by their spin evolution after laser excitation. This leads to new opportunities to study the Kinetic Isotope Effects (KIEs) of muonium/atomic hydrogen reactions and to probe transient chemistry in radiolysis processes involved in muonium formation, as well as muoniated intermediates in excited states.

Interferometric temporal focusing microscopy using three-photon excitation fluorescence.

PubMed

Toda, Keisuke; Isobe, Keisuke; Namiki, Kana; Kawano, Hiroyuki; Miyawaki, Atsushi; Midorikawa, Katsumi

2018-04-01

Super-resolution microscopy has become a powerful tool for biological research. However, its spatial resolution and imaging depth are limited, largely due to background light. Interferometric temporal focusing (ITF) microscopy, which combines structured illumination microscopy and three-photon excitation fluorescence microscopy, can overcome these limitations. Here, we demonstrate ITF microscopy using three-photon excitation fluorescence, which has a spatial resolution of 106 nm at an imaging depth of 100 µm with an excitation wavelength of 1060 nm.

Engineering biosynthetic excitable tissues from unexcitable cells for electrophysiological and cell therapy studies.

PubMed

Kirkton, Robert D; Bursac, Nenad

2011-01-01

Patch-clamp recordings in single-cell expression systems have been traditionally used to study the function of ion channels. However, this experimental setting does not enable assessment of tissue-level function such as action potential (AP) conduction. Here we introduce a biosynthetic system that permits studies of both channel activity in single cells and electrical conduction in multicellular networks. We convert unexcitable somatic cells into an autonomous source of electrically excitable and conducting cells by stably expressing only three membrane channels. The specific roles that these expressed channels have on AP shape and conduction are revealed by different pharmacological and pacing protocols. Furthermore, we demonstrate that biosynthetic excitable cells and tissues can repair large conduction defects within primary 2- and 3-dimensional cardiac cell cultures. This approach enables novel studies of ion channel function in a reproducible tissue-level setting and may stimulate the development of new cell-based therapies for excitable tissue repair.

Engineering biosynthetic excitable tissues from unexcitable cells for electrophysiological and cell therapy studies

PubMed Central

Kirkton, Robert D.; Bursac, Nenad

2012-01-01

Patch-clamp recordings in single-cell expression systems have been traditionally used to study the function of ion channels. However, this experimental setting does not enable assessment of tissue-level function such as action potential (AP) conduction. Here we introduce a biosynthetic system that permits studies of both channel activity in single cells and electrical conduction in multicellular networks. We convert unexcitable somatic cells into an autonomous source of electrically excitable and conducting cells by stably expressing only three membrane channels. The specific roles that these expressed channels have on AP shape and conduction are revealed by different pharmacological and pacing protocols. Furthermore, we demonstrate that biosynthetic excitable cells and tissues can repair large conduction defects within primary 2- and 3-dimensional cardiac cell cultures. This approach enables novel studies of ion channel function in a reproducible tissue-level setting and may stimulate the development of new cell-based therapies for excitable tissue repair. PMID:21556054

Thermal Excitation System for Shearography (TESS)

NASA Technical Reports Server (NTRS)

Lansing, Matthew D.; Bullock, Michael W.

1996-01-01

One of the most convenient and effective methods of stressing a part or structure for shearographic evaluation is thermal excitation. This technique involves heating the part, often convectively with a heat gun, and then monitoring with a shearography device the deformation during cooling. For a composite specimen, unbonds, delaminations, inclusions, or matrix cracking will deform during cooling differently than other more structurally sound regions and thus will appear as anomalies in the deformation field. However, one of the difficulties that cause this inspection to be dependent on the operator experience is the conventional heating process. Fanning the part with a heat gun by hand introduces a wide range of variability from person to person and from one inspection to the next. The goal of this research effort was to conduct research in the methods of thermal excitation for shearography inspection. A computerized heating system was developed for inspection of 0.61 m (24 in.) square panels. The Thermal Excitation System for Shearography (TESS) provides radiant heating with continuous digital measurement of the surface temperature profile to ensure repeatability. The TESS device functions as an accessory to any electronic shearography device.

Coulomb excitation of the proton-dripline nucleus Na20

NASA Astrophysics Data System (ADS)

Schumaker, M. A.; Cline, D.; Hackman, G.; Pearson, C. J.; Svensson, C. E.; Wu, C. Y.; Andreyev, A.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D.; Becker, J. A.; Boston, A. J.; Boston, H. C.; Buchmann, L.; Churchman, R.; Cifarelli, F.; Cooper, R. J.; Cross, D. S.; Dashdorj, D.; Demand, G. A.; Dimmock, M. R.; Drake, T. E.; Finlay, P.; Gallant, A. T.; Garrett, P. E.; Green, K. L.; Grint, A. N.; Grinyer, G. F.; Harkness, L. J.; Hayes, A. B.; Kanungo, R.; Lisetskiy, A. F.; Leach, K. G.; Lee, G.; Maharaj, R.; Martin, J.-P.; Moisan, F.; Morton, A. C.; Mythili, S.; Nelson, L.; Newman, O.; Nolan, P. J.; Orce, J. N.; Padilla-Rodal, E.; Phillips, A. A.; Porter-Peden, M.; Ressler, J. J.; Roy, R.; Ruiz, C.; Sarazin, F.; Scraggs, D. P.; Waddington, J. C.; Wan, J. M.; Whitbeck, A.; Williams, S. J.; Wong, J.

2009-10-01

The low-energy structure of the proton dripline nucleus Na20 has been studied using Coulomb excitation at the TRIUMF-ISAC radioactive ion beam facility. A 1.7-MeV/nucleon Na20 beam of ~5×106 ions/s was Coulomb excited by a 0.5-mg/cm2natTi target. Scattered beam and target particles were detected by the BAMBINO segmented Si detector while γ rays were detected by two TIGRESS HPGe clover detectors set perpendicular to the beam axis. Coulomb excitation from the 2+ ground state to the first excited 3+ and 4+ states was observed, and B(λL) values were determined using the 2+→0+ de-excitation in Ti48 as a reference. The resulting B(λL)↓ values are B(E2;3+→2+)=55±6e2fm4 (17.0±1.9 W.u.), B(E2;4+→2+)=35.7±5.7e2fm4 (11.1±1.8 W.u.), and B(M1;4+→3+)=0.154±0.030μN2 (0.086±0.017 W.u.). These measurements provide the first experimental determination of B(λL) values for this proton dripline nucleus of astrophysical interest.

Excited state properties of the astaxanthin radical cation: A quantum chemical study

NASA Astrophysics Data System (ADS)

Dreuw, Andreas; Starcke, Jan Hendrik; Wachtveitl, Josef

2010-07-01

Using time-dependent density functional theory, the excited electronic states of the astaxanthin radical cation (AXT rad + ) are investigated. While the optically allowed excited D 1 and D 3 states are typical ππ∗ excited states, the D 2 and D 4 states are nπ∗ states. Special emphasis is put onto the influence of the carbonyl groups onto the excited states. For this objective, the excited states of four hypothetical carotenoids and zeaxanthin have been computed. Addition of a carbonyl group to a conjugated carbon double bond system does essentially not change the vertical excitation energies of the optically allowed ππ∗ states due to two counter-acting effects: the excitation energy should increase due to the -M-effect of the carbonyl group and at the same time decrease owing to the elongation of the conjugated double bond system by the carbonyl group itself.

Mobility power flow analysis of coupled plate structure subjected to mechanical and acoustic excitation

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1992-01-01

The mobility power flow approach that was previously applied in the derivation of expressions for the vibrational power flow between coupled plate substructures forming an L configuration and subjected to mechanical loading is generalized. Using the generalized expressions, both point and distributed mechanical loads on one or both of the plates can be considered. The generalized approach is extended to deal with acoustic excitation of one of the plate substructures. In this case, the forces (acoustic pressures) acting on the structure are dependent on the response of the structure because of the scattered pressure component. The interaction between the plate structure and the acoustic fluid leads to the derivation of a corrected mode shape for the plates' normal surface velocity and also for the structure mobility functions. The determination of the scattered pressure components in the expressions for the power flow represents an additional component in the power flow balance for the source plate and the receiver plate. This component represents the radiated acoustical power from the plate structure. For a number of coupled plate substrates, the acoustic pressure generated by one substructure will interact with the motion of another substructure. That is, in the case of the L-shaped plate, acoustic interaction exists between the two plate substructures due to the generation of the acoustic waves by each of the substructures. An approach to deal with this phenomena is described.

Endoplasmic Reticulum-Plasma Membrane Contacts Regulate Cellular Excitability.

PubMed

Dickson, Eamonn J

2017-01-01

Cells that have intrinsic electrical excitability utilize changes in membrane potential to communicate with neighboring cells and initiate cellular cascades. Excitable cells like neurons and myocytes have evolved highly specialized subcellular architectures to translate these electrical signals into cellular events. One such structural specialization is sarco-/endoplasmic reticulum-plasma membrane contact sites. These membrane contact sites are positioned by specific membrane-membrane tethering proteins and contain an ever-expanding list of additional proteins that organize information transfer across the junctional space (~ 15-25 nm distance) to shape membrane identity and control cellular excitability. In this chapter we discuss how contacts between the sarco-/endoplasmic reticulum and plasma membrane are essential for regulated excitation-contraction coupling in striated muscle and control of lipid-dependent ion channels.

Photoionization of furan from the ground and excited electronic states.

PubMed

Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero

2016-02-28

Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.

Ab initio calculation of the electronic structures of the (7)Sigma+ ground and A (7)Pi and a (5)Sigma+ excited states of MnH.

PubMed

Tomonari, Mutsumi; Nagashima, Umpei; Hirano, Tsuneo

2009-04-21

Electronic structures and molecular constants of the ground (7)Sigma(+) and low-lying A (7)Pi and a (5)Sigma(+) electronic excited states of the MnH molecule were studied by multireference single and double excitation configuration interaction (MR-SDCI) with Davidson's correction (+Q) calculations under exact C(infinity v) symmetry using Slater-type basis sets. To correctly describe the (7)Sigma(+) electronic ground state, X (7)Sigma(+), at the MR-SDCI+Q calculation, we employed a large number of reference configurations in terms of the state-averaged complete active space self-consistent field (CASSCF) orbitals, taking into account the contribution from the B (7)Sigma(+) excited state. The A (7)Pi and a (5)Sigma(+) states can well be described by the MR-SDCI wave functions based on the CASSCF orbitals obtained for the lowest state only. In the MR-SDCI+Q, calculations of the X (7)Sigma(+), A (7)Pi, and a (5)Sigma(+) states required 16, 7, and 17 reference configurations, respectively. Molecular constants, i.e., r(e) and omega(e) of these states and excitation energy from the X (7)Sigma(+) state, obtained at the MR-SDCI+Q level, showed a good agreement with experimental values. The small remaining differences may be accounted for by taking relativistic effects into account.

Ab initio calculation of the electronic structures of the 7∑+ ground and A 7Π and a 5∑+ excited states of MnH

NASA Astrophysics Data System (ADS)

Tomonari, Mutsumi; Nagashima, Umpei; Hirano, Tsuneo

2009-04-01

Electronic structures and molecular constants of the ground ∑7+ and low-lying A 7Π and a ∑5+ electronic excited states of the MnH molecule were studied by multireference single and double excitation configuration interaction (MR-SDCI) with Davidson's correction (+Q) calculations under exact C∞v symmetry using Slater-type basis sets. To correctly describe the ∑7+ electronic ground state, X ∑7+, at the MR-SDCI+Q calculation, we employed a large number of reference configurations in terms of the state-averaged complete active space self-consistent field (CASSCF) orbitals, taking into account the contribution from the B ∑7+ excited state. The A 7Π and a ∑5+ states can well be described by the MR-SDCI wave functions based on the CASSCF orbitals obtained for the lowest state only. In the MR-SDCI+Q, calculations of the X ∑7+, A 7Π, and a ∑5+ states required 16, 7, and 17 reference configurations, respectively. Molecular constants, i.e., re and ωe of these states and excitation energy from the X ∑7+ state, obtained at the MR-SDCI+Q level, showed a good agreement with experimental values. The small remaining differences may be accounted for by taking relativistic effects into account.

Magnetic Excitations of Stripes

NASA Astrophysics Data System (ADS)

Yao, Daoxin; Carlson, Erica; Campbell, David

2005-03-01

Competing tendencies in electronic systems with strong correlations can lead to spontaneous nanoscale structure, pattern formation, and even long-range spatial order. There has been continued interest in various ``stripe'' phases of electrons, as well as more recent interest in possible ``checkerboard'' patterns. New experimental techniques allow for the extraction of detailed and reproducible neutron scattering spectra in copper oxide superconductors and related nickelate compounds. We discuss the magnetic excitations of well-ordered stripe phases, including the high energy magnetic excitations of recent interest and possible connections to the ``resonance peak'' in cuprate superconductors. Using a suitably parametrized Heisenberg model and spin wave theory, we study a variety of possible stripe configurations, including vertical, diagonal, staircase, and zigzag stripes. We calculate the expected neutron scattering intensities as a function of energy and momentum. Constant energy cuts at high energy often reveal a square-like scattering pattern, and occasionally a circular pattern. Bond-centered stripes have weight gathered near (pi,pi) at low energy, indicating that only part of the spin wave cone is expected to be resolvable experimentally. In addition, we present a litmus test for experimentally distinguishing bond-centered stripes from site-centered stripes using low energy data.

Dissociative Excitation of Acetylene Induced by Electron Impact: Excitation-emission Cross-sections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Országh, Juraj; Danko, Marián; Čechvala, Peter

The optical emission spectrum of acetylene excited by monoenergetic electrons was studied in the range of 190–660 nm. The dissociative excitation and dissociative ionization associated with excitation of the ions initiated by electron impact were dominant processes contributing to the spectrum. The spectrum was dominated by the atomic lines (hydrogen Balmer series, carbon) and molecular bands (CH(A–X), CH(B–X), CH{sup +}(B–A), and C{sub 2}). Besides the discrete transitions, we have detected the continuum emission radiation of ethynyl radical C{sub 2}H(A–X). For most important lines and bands of the spectrum we have measured absolute excitation-emission cross sections and determined the energy thresholdsmore » of the particular dissociative channels.« less

Numerical study of aero-excitation of steam-turbine rotor blade self-oscillations

NASA Astrophysics Data System (ADS)

Galaev, S. A.; Makhnov, V. Yu.; Ris, V. V.; Smirnov, E. M.

2018-05-01

Blade aero-excitation increment is evaluated by numerical solution of the full 3D unsteady Reynolds-averaged Navier-Stokes equations governing wet steam flow in a powerful steam-turbine last stage. The equilibrium wet steam model was adopted. Blade surfaces oscillations are defined by eigen-modes of a row of blades bounded by a shroud. Grid dependency study was performed with a reduced model being a set of blades multiple an eigen-mode nodal diameter. All other computations were carried out for the entire blade row. Two cases are considered, with an original-blade row and with a row of modified (reinforced) blades. Influence of eigen-mode nodal diameter and blade reinforcing on aero-excitation increment is analyzed. It has been established, in particular, that maximum value of the aero-excitation increment for the reinforced-blade row is two times less as compared with the original-blade row. Generally, results of the study point definitely to less probability of occurrence of blade self-oscillations in case of the reinforced blade-row.

Excited Nucleons and Hadron Structure - Proceedings of the Nstar 2000 Conference

NASA Astrophysics Data System (ADS)

Burkert, V. D.; Elouadrhiri, L.; Kelly, J. J.; Minehart, R. C.

The Table of Contents for the book is as follows: * Probing the Structure of Nucleons in the Resonance Region * Pion Photoproduction Results from MAMI * Pion Production and Compton Scattering at LEGS * Electroproduction Multipoles from ELSA * Baryon Resonance Production at Jefferson Lab at High Q2 * A Dynamical Model for the Resonant Multipoles and the Δ Structure * Relations between N and Δ Electromagnetic Form Factors * Measurement of the Recoil Polarization in the [p(ěc e ,{e^prime}ěc p ){π ^0}] Reaction at the Energy of the Δ(1232) Resonance * Electroproduction Results from CLAS * S11 (1535) Resonance Production at Jefferson Lab at High Q2 * η and η' Electro- and Photoproduction with the CEBAF Large Acceptance Spectrometer * η Production in Hadronic Interactions * Electromagnetic Production of η and η' Mesons * The Crystal Barrel Experiment at ELSA * Measurement of π-p → Neutrals Using the Crystal Ball * π+π0 and η Photoproduction at GRAAL * Partial Wave Analysis of Pion Photoproduction with Constraints from Fixed-t Dispersion Relations * N* Resonances in e+e- Collisions at BEPC * What is the Structure of the Roper Resonance? * Hybrid Baryon Signatures * Mixing Angles Determination via the Process γp → ηp * SU(6) Breaking Effects in the Nucleon Elastic Electromagnetic Form Factors * The Hypercentral Constituent Quark Model * Baryon Resonance Decays Within Constituent Quark Models * Pion Production Model - Connection between Dynamics and Quark Models * N* Investigation via Two Pion Electroproduction with the CLAS Detector at Jefferson Laboratory * Isobar Model for Studies of N* Excitation in Charged Double Pion Production by Real and Virtual Photons * Double Pion Photoproduction in the Second Resonance Region * CLAS Electroproduction of ω(783) Mesons * Electromagnetic Production of Vector Mesons at Low Energies * Polarized Target Developments for GRAAL and Prospects * Analytic Structure of a Multichannel Model * Missing Nucleon Resonances

Injection locking of an electronic maser in the hard excitation mode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yakunina, K. A.; Kuznetsov, A. P.; Ryskin, N. M.

2015-11-15

The phenomenon of hard excitation is natural for many electronic oscillators. In particular, in a gyrotron, a maximal efficiency is often attained in the hard excitation regime. In this paper, we study the injection-locking phenomena using two models of an electronic maser in the hard excitation mode. First, bifurcation analysis is performed for the quasilinear model described by ordinary differential equations for the slow amplitude and phase. Two main scenarios of transition to the injection-locked mode are described, which are generalizations of the well-known phase-locking and suppression mechanisms. The results obtained for the quasilinear model are confirmed by numerical simulationsmore » of a gyrotron with fixed Gaussian structure of the RF field.« less

Entanglement entropy of electronic excitations.

PubMed

Plasser, Felix

2016-05-21

A new perspective into correlation effects in electronically excited states is provided through quantum information theory. The entanglement between the electron and hole quasiparticles is examined, and it is shown that the related entanglement entropy can be computed from the eigenvalue spectrum of the well-known natural transition orbital (NTO) decomposition. Non-vanishing entanglement is obtained whenever more than one NTO pair is involved, i.e., in the case of a multiconfigurational or collective excitation. An important implication is that in the case of entanglement it is not possible to gain a complete description of the state character from the orbitals alone, but more specific analysis methods are required to decode the mutual information between the electron and hole. Moreover, the newly introduced number of entangled states is an important property by itself giving information about excitonic structure. The utility of the formalism is illustrated in the cases of the excited states of two interacting ethylene molecules, the conjugated polymer para-phenylene vinylene, and the naphthalene molecule.

Theoretical Study of Laser-Induced Surface Excitations on a Grating.

DTIC Science & Technology

1984-11-01

Physical Review B, in press THEORETICAL STUDY OF LASER-INDUCED SURFACE EXCITATIONS ON A GRATING Ki-Tung Lee and Thomas F. George Department of Chemistr ...Pennsylvania 16802 Dr. T. F. Geor Dr. G. 0. Stein Chemistr artment Mechanical Engineering DepartmentUnivs ty of Rochester Northwestern University ester, New

In-beam studies of sup 96 Zr and sup 98 Zr: Collective excitations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Henry, E.A.; Meyer, R.A.; Aprahamian, A.

1988-04-18

Nearly two decades ago signatures of deformation in the ground state bands of {sup 100}Zr and {sup 102}Zr were identified, and the rapid change in the deformation of heavy zirconium nuclei noted. It is now well accepted that the short-range proton-neutron interaction between the 1g{sub 9/2} and 1g{sub 7/2} spin-orbit partners plays an important role in producing ground state deformation in this region. Nevertheless, recent studies of zirconium nuclei, including those in the transition region, continue to refine our understanding of the interplay between single-particle and collective degrees of freedom. In this report we discuss some aspects of the levelmore » structures of {sup 96}Zr and {sup 98}Zr with emphasis on collective excitations. 18 refs., 2 tabs.« less

VUV Study of Electron-Pyrimidine Dissociative Excitation

NASA Astrophysics Data System (ADS)

Hein, Jeff; Al-Khazraji, Hajar; Tiessen, Collin; Lukic, Dragan; Trocchi, Joshuah; McConkey, William

2013-05-01

A crossed electron-gas beam system coupled to a VUV spectrometer has been used to investigate the dissociation of pyrimidine (C4H4N2) into excited atomic fragments in the electron-impact energy range from threshold to 375 eV. Data have been made absolute using Lyman- α from H2 as a secondary standard. The main features in the spectrum are the H Lyman series lines. The emission cross section of Lyman- α is measured to be (2.44 +/- 0.25) 10-18 cm2 at 100 eV impact energy. The probability of extracting C or N atoms from the ring is shown to be very small. Possible dissociation channels and excitation mechanisms in the parent molecule will be discussed. The authors thank NSERC (Canada) for financial support.

Final excitation energy of fission fragments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmidt, Karl-Heinz; Jurado, Beatriz

We study how the excitation energy of the fully accelerated fission fragments is built up. It is stressed that only the intrinsic excitation energy available before scission can be exchanged between the fission fragments to achieve thermal equilibrium. This is in contradiction with most models used to calculate prompt neutron emission, where it is assumed that the total excitation energy of the final fragments is shared between the fragments by the condition of equal temperatures. We also study the intrinsic excitation-energy partition in statistical equilibrium for different level-density descriptions as a function of the total intrinsic excitation energy of themore » fissioning system. Excitation energies are found to be strongly enhanced in the heavy fragment, if the level density follows a constant-temperature behavior at low energies, e.g., in the composed Gilbert-Cameron description.« less

Magnetic excitations in praseodymium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Houmann, J.G.; Rainford, B.D.; Jensen, J.

1979-08-01

The magnetic excitations in a single crystal of dhcp Pr have been studied by inelastic neutron scattering. The excitations on the hexagonal sites, and their dependence on magnetic fields up to 43 kOe applied in the basal plane, have been analyzed in terms of a Hamiltonian in which exchange, crystal-field, and magnetoelastic interactions are included. The exchange is found to be strongly anisotropic, and this anisotropy is manifested directly in a splitting of most branches of the dispersion relations. By considering a variety of magnetic properties, we have been able to determine the crystal-field level scheme for the hexagonal sitesmore » fairly unambiguously. The first excited level is 3.5 meV above the ground state. The value of the magnetoelastic coupling deduced from the excitations is in good agreement with values obtained from other measurements. A field-dependent interaction with the phonons has been observed, and a pronounced broadening of the acoustic excitations of long wavelength is ascribed to the influence of the conduction electrons. The first excited state on the cubic ions is about 8.3 meV above the ground state. The corresponding excitations show a pronounced dispersion, but the exchange anisotropy is of less importance than for the hexagonal sites.« less

Nuclear structure studies with gamma-ray beams

DOE PAGES

Tonchev, Anton; Bhatia, Chitra; Kelley, John; ...

2015-05-28

In stable and weakly bound neutron-rich nuclei, a resonance-like concentration of dipole states has been observed for excitation energies below the neutron-separation energy. This clustering of strong dipole states has been named the Pygmy Dipole Resonance (PDR) in contrast to the Giant Dipole Resonance (GDR) that dominates the E1 response. Understanding the PDR is presently of great interest in nuclear structure and nuclear astrophysics. High-sensitivity studies of E1 and M1 transitions in closed-shell nuclei using monoenergetic and 100% linearly-polarized photon beams are presented.

Nuclear Structure Studies with Gamma-Ray Beams

NASA Astrophysics Data System (ADS)

Tonchev, Anton; Bhatia, Chitra; Kelley, John; Raut, Rajarshi; Rusev, Gencho; Tornow, Werner; Tsoneva, Nadia

2015-05-01

In stable and weakly bound neutron-rich nuclei, a resonance-like concentration of dipole states has been observed for excitation energies below the neutron-separation energy. This clustering of strong dipole states has been named the Pygmy Dipole Resonance (PDR) in contrast to the Giant Dipole Resonance (GDR) that dominates the E1 response. Understanding the PDR is presently of great interest in nuclear structure and nuclear astrophysics. High-sensitivity studies of E1 and M1 transitions in closed-shell nuclei using monoenergetic and 100% linearly-polarized photon beams are presented.

Design evaluation: S-band exciters

NASA Technical Reports Server (NTRS)

1974-01-01

A design evaluation study was conducted to produce S-band exciter (SBE) system to provide a highly stable phase or modulated carrier for transmission to spacecraft. The exciter is part of an S-band receiver/exciter/ranging system at Spaceflight Tracking and Data Network (STDN) ground stations. The major features of the system are defined. Circuit diagrams of the electronic components are provided.

Using RIXS to uncover elementary charge and spin excitations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jia, Chunjing; Wohlfeld, Krzysztof; Wang, Yao

2016-05-13

Despite significant progress in resonant inelastic x-ray scattering (RIXS) experiments on cuprates at the Cu L-edge, a theoretical understanding of the cross section remains incomplete in terms of elementary excitations and the connection to both charge and spin structure factors. Here, we use state-of-the-art, unbiased numerical calculations to study the low-energy excitations probed by RIXS in the Hubbard model, relevant to the cuprates. The results highlight the importance of scattering geometry, in particular, both the incident and scattered x-ray photon polarization, and they demonstrate that on a qualitative level the RIXS spectral shape in the cross-polarized channel approximates that ofmore » the spin dynamical structure factor. Furthermore, in the parallel-polarized channel, the complexity of the RIXS process beyond a simple two-particle response complicates the analysis and demonstrates that approximations and expansions that attempt to relate RIXS to less complex correlation functions cannot reproduce the full diversity of RIXS spectral features.« less

On the Origin of the Methyl Radical Loss from Deprotonated Ferulic and Isoferulic Acids: Electronic Excitation of a Transient Structure

NASA Astrophysics Data System (ADS)

Zhang, Xiaoping; Li, Fei; Lv, Huiqing; Wu, Yanqing; Bian, Gaofeng; Jiang, Kezhi

2013-06-01

Formation of radical fragments from even-electron ions is an exception to the "even-electron rule". In this work, ferulic acid (FA) and isoferulic acid (IFA) were used as the model compounds to probe the fragmentation mechanisms and the isomeric effects on homolytic cleavage. Elimination of methyl radical and CO2 are the two competing reactions observed in the CID-MS of [FA - H]- and [IFA - H]-, of which losing methyl radical violates the "even-electron rule". The relative intensity of their product ions is significantly different, and thereby the two isomeric compounds can be differentiated by tandem MS. Theoretical calculations indicate that both the singlet-triplet gap and the excitation energy decrease in the transient structures, as the breaking C-O bond is lengthened. The methyl radical elimination has been rationalized as the intramolecular electronic excitation of a transient structure with an elongating C-O bond. The potential energy diagrams, completed by the addition of the energy barrier of the radical elimination, have provided a reasonable explanation of the different CID-MS behaviors of [FA - H]- and [IFA - H]-.

Polarized-neutron-scattering study of the spin-wave excitations in the 3-k ordered phase of uranium antimonide.

PubMed

Magnani, N; Caciuffo, R; Lander, G H; Hiess, A; Regnault, L-P

2010-03-24

The anisotropy of magnetic fluctuations propagating along the [1 1 0] direction in the ordered phase of uranium antimonide has been studied using polarized inelastic neutron scattering. The observed polarization behavior of the spin waves is a natural consequence of the longitudinal 3-k magnetic structure; together with recent results on the 3-k-transverse uranium dioxide, these findings establish this technique as an important tool to study complex magnetic arrangements. Selected details of the magnon excitation spectra of USb have also been reinvestigated, indicating the need to revise the currently accepted theoretical picture for this material.

Excitation Spectra and Brightness Optimization of Two-Photon Excited Probes

PubMed Central

Mütze, Jörg; Iyer, Vijay; Macklin, John J.; Colonell, Jennifer; Karsh, Bill; Petrášek, Zdeněk; Schwille, Petra; Looger, Loren L.; Lavis, Luke D.; Harris, Timothy D.

2012-01-01

Two-photon probe excitation data are commonly presented as absorption cross section or molecular brightness (the detected fluorescence rate per molecule). We report two-photon molecular brightness spectra for a diverse set of organic and genetically encoded probes with an automated spectroscopic system based on fluorescence correlation spectroscopy. The two-photon action cross section can be extracted from molecular brightness measurements at low excitation intensities, while peak molecular brightness (the maximum molecular brightness with increasing excitation intensity) is measured at higher intensities at which probe photophysical effects become significant. The spectral shape of these two parameters was similar across all dye families tested. Peak molecular brightness spectra, which can be obtained rapidly and with reduced experimental complexity, can thus serve as a first-order approximation to cross-section spectra in determining optimal wavelengths for two-photon excitation, while providing additional information pertaining to probe photostability. The data shown should assist in probe choice and experimental design for multiphoton microscopy studies. Further, we show that, by the addition of a passive pulse splitter, nonlinear bleaching can be reduced—resulting in an enhancement of the fluorescence signal in fluorescence correlation spectroscopy by a factor of two. This increase in fluorescence signal, together with the observed resemblance of action cross section and peak brightness spectra, suggests higher-order photobleaching pathways for two-photon excitation. PMID:22385865

Cyclometalated gold(III) trioxadiborrin complexes: studies of the bonding and excited states.

PubMed

Ayoub, Nicholas A; Browne, Amberle R; Anderson, Bryce L; Gray, Thomas G

2016-03-07

Trioxadiborrins are chelating ligands that assemble in dehydration reactions of boronic acids. They are structurally related to β-diketonate ligands, but have a 2-charge. Little is known of the bonding properties of trioxadiborrin ligands. Presented here are density-functional theory (DFT) studies of cyclometalated gold(III) trioxadiborrins. Substituent effects are evaluated, and comparison is made to the cyclometalating 2-(4-tolyl)pyridine (tpy) ligand on gold. The tpy ligand binds more strongly than any trioxadiborrin ligand considered here, and the two ligands bind competitively to gold. The 1,3-diphenyl trioxadiborrin ligand of 1 has a larger absolute binding enthalpy to gold than its β-diketonate analogue. Conjugation between boron and aryl substituents delocalizes charge and attenuates the trioxadiborrin's binding capacity. Steric effects that disrupt conjugation between boron and aryl substituents cause the trioxadiborrin to chelate more tightly. Fragment bond orders are divided into in-plane and out-of-plane contributions for square planar 1. In-plane bonding accounts for 88% of bond order between (tpy)Au2+ and the trioxadiborrin ligand. Cyclometalated gold(III) trioxadiborrin complexes were previously shown to be phosphorescent. Spin-unrestricted triplet-state geometry optimizations find that the ten largest excited-state distortions all occur on the tpy ligand. A plot of spin density in triplet 1 shows spin to reside predominantly on tpy. The 77 K luminescence spectrum of 1 is reported here. Time-dependent DFT and configuration interaction singles calculations (corrected for doubles excitations) overestimate the emission energy by ∼ 0.12 eV.

A molecular dynamics study of the relaxation of an excited molecule in crystalline nitromethane

NASA Astrophysics Data System (ADS)

Rivera-Rivera, Luis A.; Siavosh-Haghighi, Ali; Sewell, Thomas D.; Thompson, Donald L.

2014-07-01

Classical molecular dynamics simulations were used to study the relaxation of an excited nitromethane molecule in perfect crystalline nitromethane at 250 K and 1 atm pressure. The molecule was instantaneously excited by statistically distributing energy E∗ between 25.0 kcal/mol and 125.0 kcal/mol among the 21 degrees of freedom of the molecule. The relaxation occurs exponentially with time constants between 11.58 ps and 13.57 ps. Energy transfer from the excited molecule to surrounding quasi-spherical shells of molecules occurs concurrently to both the nearest and next-nearest neighbor shells, but with more energy per molecule transferred more rapidly to the first shell.

The excited spin-triplet state of a charged exciton in quantum dots.

PubMed

Molas, M R; Nicolet, A A L; Piętka, B; Babiński, A; Potemski, M

2016-09-14

We report on spectroscopic studies of resonances related to ladder of states of a charged exciton in single GaAlAs/AlAs quantum dot structures. Polarization-resolved photoluminescence, photoluminescence excitation and photon-correlation measurements were performed at low (T  =  4.2 K) temperature also in magnetic field applied in Faraday configuration. The investigated resonances are assigned to three different configurations of a positively charged exciton. Together with a singlet ground state and a conventional triplet state (involving an electron from the ground state electronic s-shell), an excited triplet state, which involved an electron from the excited electronic p-shell was identified in single dots. The appearance of an emission line related to the latter complex is due to a partially suppressed electron relaxation in the investigated dots. An analysis of this emission line allows us to scrupulously determine properties of the excited triplet state and compare them with those of the conventional triplet state. Both triplets exhibit similar patterns of anisotropic fine structure and Zeeman splitting, however their amplitudes significantly differ for those two states. Presented results emphasize the role of the symmetry of the electronic state on the properties of the triplet states of two holes  +  electron excitonic complex.

Coulomb excitation of radioactive 20, 21Na

NASA Astrophysics Data System (ADS)

Schumaker, M. A.; Cline, D.; Hackman, G.; Pearson, C.; Svensson, C. E.; Wu, C. Y.; Andreyev, A.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D.; Becker, J. A.; Boston, A. J.; Boston, H. C.; Buchmann, L.; Churchman, R.; Cifarelli, F.; Cooper, R. J.; Cross, D. S.; Dashdorj, D.; Demand, G. A.; Dimmock, M. R.; Drake, T. E.; Finlay, P.; Gallant, A. T.; Garrett, P. E.; Green, K. L.; Grint, A. N.; Grinyer, G. F.; Harkness, L. J.; Hayes, A. B.; Kanungo, R.; Lisetskiy, A. F.; Leach, K. G.; Lee, G.; Maharaj, R.; Martin, J.-P.; Moisan, F.; Morton, A. C.; Mythili, S.; Nelson, L.; Newman, O.; Nolan, P. J.; Orce, J. N.; Padilla-Rodal, E.; Phillips, A. A.; Porter-Peden, M.; Ressler, J. J.; Roy, R.; Ruiz, C.; Sarazin, F.; Scraggs, D. P.; Waddington, J. C.; Wan, J. M.; Whitbeck, A.; Williams, S. J.; Wong, J.

2009-12-01

The low-energy structures of the radioactive nuclei 20, 21Na have been examined using Coulomb excitation at the TRIUMF-ISAC radioactive ion beam facility. Beams of ˜ 5×106 ions/s were accelerated to 1.7MeV/A and Coulomb excited in a 0.5mg/cm^2 natTi target. Two TIGRESS HPGe clover detectors perpendicular to the beam axis were used for γ -ray detection, while scattered nuclei were observed by the Si detector BAMBINO. For 21Na , Coulomb excitation from the 3/2+ ground state to the first excited 5/2+ state was observed, while for 20Na , Coulomb excitation was observed from the 2+ ground state to the first excited 3+ and 4+ states. For both beams, B ( λ L) values were determined using the 2+ rightarrow 0+ de-excitation in 48Ti as a reference. The resulting B( E2) ↓ value for 21Na is 137±9 e^2fm^4, while the resulting B( λ L) ↓ values for 20Na are 55±6 e^2fm^4 for the 3+ rightarrow 2+ , 35.7±5.7 e^2 fm^4 for the 4+ rightarrow 2+ , and 0.154±0.030 μ_ N^2 for the 4+ rightarrow 3+ transitions. This analysis significantly improves the measurement of the 21Na B( E2) value, and provides the first experimental determination of B( λ L) values for the proton dripline nucleus 20Na .-1

The spectroscopy of singlets and triplets excites electronic states, spatial and electronic structure of hydrocarbons and quantum classifications in chemmotology

NASA Astrophysics Data System (ADS)

Obukhov, A. E.

2017-01-01

In this work we demonstrate the physical foundations of the spectroscopy of the grounds states: E- and X-ray, (RR) Raman scattering the NMR 1H and 13C and IR-, EPR- absorption and the singlets and triplets electronic excited states in the multinuclear hydrocarbons in chemmotology. The parameters of UV-absorption, RR-Raman scattering of light, the fluorescence and the phosphorescence and day-lasers at the pumping laser and lamp, OLEDs and OTETs- are measurements. The spectral-energy properties are briefly studied. The quantum-chemical LCAO-MO SCF expanded-CI PPP/S and INDO/S methods in the electronic and spatial structure hidrocarbons are considered.

Influence of solvent and substituent on excited state characteristics of laser grade coumarin dyes.

PubMed

Sharma, Vijay K; Saharo, P D; Sharma, Neera; Rastogi, Ramesh C; Ghoshal, S K; Mohan, D

2003-04-01

Absorption and fluorescence emission of 4 and 7 substituted coumarins viz. C 440, C 490, C 485 and C 311 have been studied in various polar and non-polar organic solvents. These coumarin dyes are substituted with alkyl, amine and fluorine groups at 4- and 7-positions. They give different absorption and emission spectra in different solvents. The study leads to a possible assignment of energy level scheme for such coumarins including the effect on ground state and excited state dipole moments due to substitutions. Excited state dipole moments of these dyes are calculated by solvetochromic data experimentally and theoretically these are calculated by PM 3 method. The dipole moments in excited state, for all molecules investigated here, are higher than the corresponding values in the ground state. The increase in dipole moment has been explained in terms of the nature of excited state and resonance structure.

Many-body perturbation theory for understanding optical excitations in organic molecules and solids

NASA Astrophysics Data System (ADS)

Sharifzadeh, Sahar

2018-04-01

Semiconductors composed of organic molecules are promising as components for flexible and inexpensive optoelectronic devices, with many recent studies aimed at understanding their electronic and optical properties. In particular, computational modeling of these complex materials has provided new understanding of the underlying properties which give rise to their excited-state phenomena. This article provides an overview of recent many-body perturbation theory (MBPT) studies of optical excitations within organic molecules and solids. We discuss the accuracy of MBPT within the GW/BSE approach in predicting excitation energies and absorption spectra, and assess the impact of two commonly used approximations, the DFT starting point and the Tamm–Dancoff approximation. Moreover, we summarize studies that elucidate the role of solid-state structure on the nature of excitons in organic crystals. These studies show that a rich physical understanding of organic materials can be obtained from GW/BSE.

Excitation of plasmonic waves in metal-dielectric structures by a laser beam using holography principles

NASA Astrophysics Data System (ADS)

Ignatov, A. I.; Merzlikin, A. M.

2018-03-01

A method for development of gratings for effective excitation of surface plasmonic waves using holography principles has been proposed and theoretically analyzed. For the case of a plasmonic wave in a dielectric layer on metal, the proposed volume hologram is 1.7 times more effective than the simple grating of slits in the dielectric layer with the optimized period and slits' width. The advantage of the hologram over the optimized grating is in the refractive index distribution that accounts phase relationships between an exciting and an excited waves more correctly. The proposed holographic method is universal. As expected, this can be extended for effective excitation of different types of optical surface waves and modes of optical waveguides.

A 2-DOF model of an elastic rocket structure excited by a follower force

NASA Astrophysics Data System (ADS)

Brejão, Leandro F.; da Fonseca Brasil, Reyolando Manoel L. R.

2017-10-01

We present a two degree of freedom model of an elastic rocket structure excited by the follower force given by the motor thrust that is supposed to be always in the direction of the tangent to the deformed shape of the device at its lower tip. The model comprises two massless rigid pinned bars, initially in vertical position, connected by rotational springs. Lumped masses and dampers are considered at the connections. The generalized coordinates are the angular displacements of the bars with respect to the vertical. We derive the equations of motion via Lagrange’s equations and simulate its time evolution using Runge-Kutta 4th order time step-by-step numerical integration algorithm. Results indicate possible occurrence of stable and unstable vibrations, such as limit cycles.

Mass transport on adsorbate multilayers studied by surface plasmon polariton wave excitation

NASA Astrophysics Data System (ADS)

Wang, X.; Fei, Y. Y.; Zhu, X. D.

2011-12-01

We excited surface-plasmon polariton waves (SPPW) on Cu(111) by coupling a monochromatic optical beam with a xenon multilayer thickness grating on the metal. The SPPW excitation was detected with an angle-resolved oblique-incidence reflectivity difference technique (OI-RD). The amplitude of the resonance OI-RD signal was a quadratic function of the grating modulation depth. By monitoring the decay of the resonance OI-RD signal as a function of time and temperature, we were able to study the mass transport of xenon that plays a key role in the annealing of a "rough" Xe multilayer crystalline film.

Bayesian nonlinear structural FE model and seismic input identification for damage assessment of civil structures

NASA Astrophysics Data System (ADS)

Astroza, Rodrigo; Ebrahimian, Hamed; Li, Yong; Conte, Joel P.

2017-09-01

A methodology is proposed to update mechanics-based nonlinear finite element (FE) models of civil structures subjected to unknown input excitation. The approach allows to jointly estimate unknown time-invariant model parameters of a nonlinear FE model of the structure and the unknown time histories of input excitations using spatially-sparse output response measurements recorded during an earthquake event. The unscented Kalman filter, which circumvents the computation of FE response sensitivities with respect to the unknown model parameters and unknown input excitations by using a deterministic sampling approach, is employed as the estimation tool. The use of measurement data obtained from arrays of heterogeneous sensors, including accelerometers, displacement sensors, and strain gauges is investigated. Based on the estimated FE model parameters and input excitations, the updated nonlinear FE model can be interrogated to detect, localize, classify, and assess damage in the structure. Numerically simulated response data of a three-dimensional 4-story 2-by-1 bay steel frame structure with six unknown model parameters subjected to unknown bi-directional horizontal seismic excitation, and a three-dimensional 5-story 2-by-1 bay reinforced concrete frame structure with nine unknown model parameters subjected to unknown bi-directional horizontal seismic excitation are used to illustrate and validate the proposed methodology. The results of the validation studies show the excellent performance and robustness of the proposed algorithm to jointly estimate unknown FE model parameters and unknown input excitations.

Modeling guided wave excitation in plates with surface mounted piezoelectric elements: coupled physics and normal mode expansion

NASA Astrophysics Data System (ADS)

Ren, Baiyang; Lissenden, Cliff J.

2018-04-01

Guided waves have been extensively studied and widely used for structural health monitoring because of their large volumetric coverage and good sensitivity to defects. Effectively and preferentially exciting a desired wave mode having good sensitivity to a certain defect is of great practical importance. Piezoelectric discs and plates are the most common types of surface-mounted transducers for guided wave excitation and reception. Their geometry strongly influences the proportioning between excited modes as well as the total power of the excited modes. It is highly desirable to predominantly excite the selected mode while the total transduction power is maximized. In this work, a fully coupled multi-physics finite element analysis, which incorporates the driving circuit, the piezoelectric element and the wave guide, is combined with the normal mode expansion method to study both the mode tuning and total wave power. The excitation of circular crested waves in an aluminum plate with circular piezoelectric discs is numerically studied for different disc and adhesive thicknesses. Additionally, the excitation of plane waves in an aluminum plate, using a stripe piezoelectric element is studied both numerically and experimentally. It is difficult to achieve predominant single mode excitation as well as maximum power transmission simultaneously, especially for higher order modes. However, guidelines for designing the geometry of piezoelectric elements for optimal mode excitation are recommended.

Excited-state dynamics of mononucleotides and DNA strands in a deep eutectic solvent.

PubMed

Zhang, Yuyuan; de La Harpe, Kimberly; Hariharan, Mahesh; Kohler, Bern

2018-04-17

The photophysics of several mono- and oligonucleotides were investigated in a deep eutectic solvent for the first time. The solvent glyceline, prepared as a 1 : 2 mole ratio mixture of choline chloride and glycerol, was used to study excited-state deactivation in a non-aqueous solvent by the use of steady-state and time-resolved spectroscopy. DNA strands in glyceline retain the secondary structures that are present in aqueous solution to some degree, thus enabling a study of the effects of solvent properties on the excited states of stacked bases and stacked base pairs. The excited-state lifetime of the mononucleotide 5'-AMP in glyceline is 630 fs, or twice as long as in aqueous solution. Even slower relaxation is seen for 5'-TMP in glyceline, and a possible triplet state with a lifetime greater than 3 ns is observed. Circular dichroism spectra show that the single strand (dA)18 and the duplex d(AT)9·d(AT)9 adopt similar structures in glyceline and in aqueous solution. Despite having similar conformations in both solvents, femtosecond transient absorption experiments reveal striking changes in the dynamics. Excited-state decay and vibrational cooling generally take place more slowly in glyceline than in water. Additionally, the fraction of long-lived excited states in both oligonucleotide systems is lower in glyceline than in aqueous solution. For a DNA duplex, water is suggested to favor decay pathways involving intrastrand charge separation, while the deep eutectic solvent favors interstrand deactivation channels involving neutral species. Slower solvation dynamics in the viscous deep eutectic solvent may also play a role. These results demonstrate that the dynamics of excitations in stacked bases and stacked base pairs depend not only on conformation, but are also highly sensitive to the solvent.

Predicting Keto-Enol Equilibrium from Combining UV/Visible Absorption Spectroscopy with Quantum Chemical Calculations of Vibronic Structures for Many Excited States. A Case Study on Salicylideneanilines.

PubMed

Zutterman, Freddy; Louant, Orian; Mercier, Gabriel; Leyssens, Tom; Champagne, Benoît

2018-06-21

Salicylideneanilines are characterized by a tautomer equilibrium, between an enol and a keto form of different colors, at the origin of their remarkable thermochromic, solvatochromic, and photochromic properties. The enol form is usually the most stable but appropriate choice of substituents and conditions (solvent, crystal, host compound) can displace the equilibrium toward the keto form so that there is a need for fast prediction of the keto:enol abundance ratio. Here we demonstrate the reliability of a combined theoretical-experimental method, based on comparing simulated and measured UV/visible absorption spectra, to determine this keto/enol ratio. The calculations of the excitation energies, oscillator strengths, and vibronic structures of both enol and keto forms are performed for all excited states absorbing in the relevant (visible and near-UV) wavelength range at the time-dependent density functional theory level by accounting for solvent effects using the polarizable continuum model. This approach is illustrated for two salicylideneaniline derivatives, which are present, in solution, under the form of keto-enol mixtures. The results are compared to those of chemometric analysis as well as ab initio predictions of the reaction free enthalpies.

Nondestructive Evaluation of One-Dimensional Periodic Structures by Transmission of Laser-Excited Wide-Band Acoustic Pulses

NASA Astrophysics Data System (ADS)

Karabutov, A. A.; Kozhushko, V. V.; Pelivanov, I. M.; Podymova, N. B.

2001-03-01

The propagation of ultrasound in a one-dimensional model and actual periodic structures (PSs) is studied experimentally by the method of optoacoustic spectroscopy based on the laser thermooptical excitation and wide-band piezodetection of short acoustic pulses. It is shown that the ultrasound transmission spectrum of a PS has stop and pass bands, and the greater the number of layers in the PSs, the deeper the stop bands. The case where the thickness, density, and ultrasound velocity of one or several layers in the PS are modified is studied in detail. In this case, a narrow local maximum of ultrasound transmission appears in the stop band, whose location depends considerably on the position of the "defective" layer in the PS. The experimental data obtained coincide well with the theoretical calculation. The nondestructive evaluation of actual PSs consisting of two epoxy-glued identical aluminum plates is carried out by the optoacoustic method. Such materials are widely used in aircraft industry. It is shown that the ultrasound transmission spectrum for these materials depends considerably on the thickness of the epoxy-glue layer.

Improving the sensitivity of high-frequency subharmonic imaging with coded excitation: A feasibility study

PubMed Central

Shekhar, Himanshu; Doyley, Marvin M.

2012-01-01

Purpose: Subharmonic intravascular ultrasound imaging (S-IVUS) could visualize the adventitial vasa vasorum, but the high pressure threshold required to incite subharmonic behavior in an ultrasound contrast agent will compromise sensitivity—a trait that has hampered the clinical use of S-IVUS. The purpose of this study was to assess the feasibility of using coded-chirp excitations to improve the sensitivity and axial resolution of S-IVUS. Methods: The subharmonic response of Targestar-pTM, a commercial microbubble ultrasound contrast agent (UCA), to coded-chirp (5%–20% fractional bandwidth) pulses and narrowband sine-burst (4% fractional bandwidth) pulses was assessed, first using computer simulations and then experimentally. Rectangular windowed excitation pulses with pulse durations ranging from 0.25 to 3 μs were used in all studies. All experimental studies were performed with a pair of transducers (20 MHz/10 MHz), both with diameter of 6.35 mm and focal length of 50 mm. The size distribution of the UCA was measured with a CasyTM Cell counter. Results: The simulation predicted a pressure threshold that was an order of magnitude higher than that determined experimentally. However, all other predictions were consistent with the experimental observations. It was predicted that: (1) exciting the agent with chirps would produce stronger subharmonic response relative to those produced by sine-bursts; (2) increasing the fractional bandwidth of coded-chirp excitation would increase the sensitivity of subharmonic imaging; and (3) coded-chirp would increase axial resolution. The experimental results revealed that subharmonic-to-fundamental ratios obtained with chirps were 5.7 dB higher than those produced with sine-bursts of similar duration. The axial resolution achieved with 20% fractional bandwidth chirps was approximately twice that achieved with 4% fractional bandwidth sine-bursts. Conclusions: The coded-chirp method is a suitable excitation strategy for

Multiple hydrogen bonding in excited states of aminopyrazine in methanol solution: time-dependent density functional theory study.

PubMed

Chai, Shuo; Yu, Jie; Han, Yong-Chang; Cong, Shu-Lin

2013-11-01

Aminopyrazine (AP) and AP-methanol complexes have been theoretically studied by using density functional theory (DFT) and time-dependent density functional theory (TDDFT). The excited-state hydrogen bonds are discussed in detail. In the ground state the intermolecular multiple hydrogen bonds can be formed between AP molecule and protic solvents. The AP monomer and hydrogen-bonded complex of AP with one methanol are photoexcited initially to the S2 state, and then transferred to the S1 state via internal conversion. However the complex of AP with two methanol molecules is directly excited to the S1 state. From the calculated electronic excited energies and simulated absorption spectra, we find that the intermolecular hydrogen bonds are strengthened in the electronic excited states. The strengthening is confirmed by the optimized excited-state geometries. The photochemical processes in the electronic excited states are significantly influenced by the excited-state hydrogen bond strengthening. Copyright © 2013 Elsevier B.V. All rights reserved.

Excitation-scanning hyperspectral imaging microscope

PubMed Central

Favreau, Peter F.; Hernandez, Clarissa; Heaster, Tiffany; Alvarez, Diego F.; Rich, Thomas C.; Prabhat, Prashant; Leavesley, Silas J.

2014-01-01

Abstract. Hyperspectral imaging is a versatile tool that has recently been applied to a variety of biomedical applications, notably live-cell and whole-tissue signaling. Traditional hyperspectral imaging approaches filter the fluorescence emission over a broad wavelength range while exciting at a single band. However, these emission-scanning approaches have shown reduced sensitivity due to light attenuation from spectral filtering. Consequently, emission scanning has limited applicability for time-sensitive studies and photosensitive applications. In this work, we have developed an excitation-scanning hyperspectral imaging microscope that overcomes these limitations by providing high transmission with short acquisition times. This is achieved by filtering the fluorescence excitation rather than the emission. We tested the efficacy of the excitation-scanning microscope in a side-by-side comparison with emission scanning for detection of green fluorescent protein (GFP)-expressing endothelial cells in highly autofluorescent lung tissue. Excitation scanning provided higher signal-to-noise characteristics, as well as shorter acquisition times (300  ms/wavelength band with excitation scanning versus 3  s/wavelength band with emission scanning). Excitation scanning also provided higher delineation of nuclear and cell borders, and increased identification of GFP regions in highly autofluorescent tissue. These results demonstrate excitation scanning has utility in a wide range of time-dependent and photosensitive applications. PMID:24727909

Excitation-scanning hyperspectral imaging microscope.

PubMed

Favreau, Peter F; Hernandez, Clarissa; Heaster, Tiffany; Alvarez, Diego F; Rich, Thomas C; Prabhat, Prashant; Leavesley, Silas J

2014-04-01

Hyperspectral imaging is a versatile tool that has recently been applied to a variety of biomedical applications, notably live-cell and whole-tissue signaling. Traditional hyperspectral imaging approaches filter the fluorescence emission over a broad wavelength range while exciting at a single band. However, these emission-scanning approaches have shown reduced sensitivity due to light attenuation from spectral filtering. Consequently, emission scanning has limited applicability for time-sensitive studies and photosensitive applications. In this work, we have developed an excitation-scanning hyperspectral imaging microscope that overcomes these limitations by providing high transmission with short acquisition times. This is achieved by filtering the fluorescence excitation rather than the emission. We tested the efficacy of the excitation-scanning microscope in a side-by-side comparison with emission scanning for detection of green fluorescent protein (GFP)-expressing endothelial cells in highly autofluorescent lung tissue. Excitation scanning provided higher signal-to-noise characteristics, as well as shorter acquisition times (300  ms/wavelength band with excitation scanning versus 3  s/wavelength band with emission scanning). Excitation scanning also provided higher delineation of nuclear and cell borders, and increased identification of GFP regions in highly autofluorescent tissue. These results demonstrate excitation scanning has utility in a wide range of time-dependent and photosensitive applications.

Coupling between graphene and intersubband collective excitations in quantum wells

NASA Astrophysics Data System (ADS)

Gonzalez de la Cruz, G.

2017-08-01

Recently, strong light-matter coupling between the electromagnetic modes in plasmonic metasurfaces with quantum-engineering electronic intersubband transitions in quantum wells has been demonstrated experimentally (Benz et al., [14], Lee et al., [15]). These novel materials combining different two-dimensional electronic systems offer new opportunities for tunable optical devices and fundamental studies of collective excitations driven by interlayer Coulomb interactions. In this work, our aim is to study the plasmon spectra of a hybrid structure consisting of conventional two-dimensional electron gas (2DEG) in a semiconductor quantum well and a graphene sheet with an interlayer separation of a. This electronic bilayer structure is immersed in a nonhomgeneous dielectric background of the system. We use a simple model in which the graphene surface plasmons and both; the intrasubband and intersubband collective electron excitations in the quantum well are coupled via screened Coulomb interaction. Here we calculate the dispersion of these relativistic/nonrelativistic new plasmon modes taking into account the thickness of the quantum well providing analytical expressions in the long-wavelength limit.

Heat of formation determination of the ground and excited state of cyanomethylene (HCCN) radical

NASA Technical Reports Server (NTRS)

Francisco, Joseph S.

1994-01-01

Ab initio electronic structure theory has been used to characterize the structure of the ground triplet and lowest singlet excited states of cyanomethylene. The geometries, vibrational frequencies, and heats of formation have been determined using second-order Moller-Plesset perturbation, single and double excitation configuration interaction, and quadratic configuration interaction theory. The heat of formation is predicted with isodesmic reaction and Gaussian-2 theory (G2) for the ground triplet and first excited singlet states of cyanomethylene. For the ground state Delta-H(sub 0)(sup f,0) is 114.8+/-2 kcal/mol while for the excited single state it is 126.5+/-2 kcal/mol.

Excitation anisotropy in laser-induced-fluorescence spectroscopy: Broad-line excitation case

NASA Astrophysics Data System (ADS)

Hirabayashi, A.; Nambu, Y.; Fujimoto, T.

1986-01-01

Treatment of excitation anisotropy for Laser-Induced-Fluorescence Spectroscopy (LIFS) is extended to the intense excitation case. The depolarization coefficient is derived for intense excitation limit (linearly-polarized or unpolarized light excitation), and the result is presented in tables. For the region of intermediate intensity between the weak and intense excitation limits, the master equation is solved for specific example of transitions and its result is compared with experiment.

Structural and photophysical studies on gallium(III) 8-hydroxyquinoline-5-sulfonates. Does excited state decay involve ligand photolabilisation?

PubMed

Ramos, M Luísa; de Sousa, Andreia R E; Justino, Licínia L G; Fonseca, Sofia M; Geraldes, Carlos F G C; Burrows, Hugh D

2013-03-14

Multinuclear ((1)H, (13)C and (71)Ga) magnetic resonance spectroscopy (1D and 2D), DFT calculations and luminescence techniques have been used to study 8-hydroxyquinoline-5-sulfonate (8-HQS) and its complexes with Ga(III) in aqueous solutions. The study combines the high sensitivity of luminescence techniques and the selectivity of multinuclear NMR spectroscopy with the structural details accessible through DFT calculations, and aims to obtain a complete understanding of the complexation between the Ga(3+) ion and 8-HQS, and how this influences the luminescence behaviour. A full speciation study has been performed on this system and three complexes detected, with (metal : ligand) 1 : 1, 1 : 2 and 1 : 3 stoichiometries, the results being consistent with those previously found for the system Al(III)-8-HQS. Complexation in these systems is relevant to their potential biomedical, sensing and optoelectronic applications. On binding to Ga(III), a marked increase is seen in the intensity of the 8-HQS fluorescence band, which is accompanied by changes in the absorption spectra. These support the use of 8-HQS as a sensitive fluorescent sensor to detect Ga(3+) metal ions in surface waters, biological fluids, etc., and its metal complexes as an emitting or charge transport layer in light emitting devices. However, the fluorescence quantum yield of the Ga(III)-8-HQS 1 : 3 complex is about 35% of that of the corresponding system with Al(III). Although this may be due in part to a heavy atom effect favouring S(1)→ T(1) intersystem crossing with Ga(3+), this does not agree with transient absorption measurements on the triplet state yield, which is lower with the Ga(III) system than with Al(III). Instead, it is suggested that photolabilisation of ligand exchange plays a major role in nonradiative decay of the excited state and that this is more efficient with the Ga(3+) complex. Based on these results, suggestions are made of ways of enhancing fluorescence

Excitation wavelength dependence of excited state intramolecular proton transfer reaction of 4'-N,N-diethylamino-3-hydroxyflavone in room temperature ionic liquids studied by optical Kerr gate fluorescence measurement.

PubMed

Suda, Kayo; Terazima, Masahide; Sato, Hirofumi; Kimura, Yoshifumi

2013-10-17

Excited state intramolecular proton transfer reactions (ESIPT) of 4'-N,N-diethylamino-3-hydroxyflavone (DEAHF) in ionic liquids have been studied by steady-state and time-resolved fluorescence measurements at different excitation wavelengths. Steady-state measurements show the relative yield of the tautomeric form to the normal form of DEAHF decreases as excitation wavelength is increased from 380 to 450 nm. The decrease in yield is significant in ionic liquids that have cations with long alkyl chains. The extent of the decrease is correlated with the number of carbon atoms in the alkyl chains. Time-resolved fluorescence measurements using optical Kerr gate spectroscopy show that ESIPT rate has a strong excitation wavelength dependence. There is a large difference between the spectra at a 200 ps delay from different excitation wavelengths in each ionic liquid. The difference is pronounced in ionic liquids having a long alkyl chain. The equilibrium constant in the electronic excited state obtained at a 200 ps delay and the average reaction rate are also correlated with the alkyl chain length. Considering the results of the steady-state fluorescence and time-resolved measurements, the excitation wavelength dependence of ESIPT is explained by state selective excitation due to the difference of the solvation, and the number of alkyl chain carbon atoms is found to be a good indicator of the effect of inhomogeneity for this reaction.

Exciter switch

NASA Technical Reports Server (NTRS)

Mcpeak, W. L.

1975-01-01

A new exciter switch assembly has been installed at the three DSN 64-m deep space stations. This assembly provides for switching Block III and Block IV exciters to either the high-power or 20-kW transmitters in either dual-carrier or single-carrier mode. In the dual-carrier mode, it provides for balancing the two drive signals from a single control panel located in the transmitter local control and remote control consoles. In addition to the improved switching capabilities, extensive monitoring of both the exciter switch assembly and Transmitter Subsystem is provided by the exciter switch monitor and display assemblies.

16. EXCITERS, AND SYNCHROSCOPE GAUGE ON WALL. ACTIVE ELECTRIC EXCITER ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

16. EXCITERS, AND SYNCHROSCOPE GAUGE ON WALL. ACTIVE ELECTRIC EXCITER AT REAR; UNUSED WATER-DRIVEN EXCITER IN FOREGROUND. VIEW TO SOUTH-SOUTHWEST. - Santa Ana River Hydroelectric System, SAR-2 Powerhouse, Redlands, San Bernardino County, CA

Dual wavelength laser diode excitation source for 2D photoacoustic imaging.

NASA Astrophysics Data System (ADS)

Allen, Thomas J.; Beard, Paul C.

2007-02-01

Photoacoustic methods can be used to make spatially resolved spectroscopic measurements of blood oxygenation when using a multiwavelength excitation source, such as an OPO system. Since these excitation sources are usually expensive and bulky, an alternative is to use laser diodes. A fibre coupled laser diode excitation system has been developed, providing two wavelengths, 850 and 905nm, each composed of 6 high peak power pulsed laser diodes. The system provided variable pulse durations (65-500ns) and repetition rates of up to 5KHz. The pulse energies delivered by the excitation system at 905nm and 850nm were measured to be 120μJ and 80μJ respectively for a 200ns pulse duration. To demonstrate the utility of the system, the excitation source was combined with an ultrasound detector to form a probe for in vivo single point measurements of superficial blood vessels. Changes in blood oxygenation and volume in the finger tip were monitored while making venous and arterial occlusions. To demonstrate the imaging capability of the excitation system, 2D photoacoustic images of a physiologically realistic phantom were obtained for a range of pulse durations using a cylindrical scanning system. The phantom was composed of cylindrical absorbing elements (μa=1mm^{-1}) of 2.7mm diameter, immersed in a 1% intralipid solution (μs=1mm^{-1}). This study demonstrated the potential use of laser diodes as an excitation source for photoacoustic imaging of superficial vascular structures.

Isovector and isoscalar dipole excitations in 9Be and 10Be studied with antisymmetrized molecular dynamics

NASA Astrophysics Data System (ADS)

Kanada-En'yo, Yoshiko

2016-02-01

Isovector and isoscalar dipole excitations in 9Be and 10Be are investigated in the framework of antisymmetrized molecular dynamics, in which angular-momentum and parity projections are performed. In the present method, 1p-1h excitation modes built on the ground state and a large amplitude α -cluster mode are taken into account. The isovector giant dipole resonance (GDR) in E >20 MeV shows the two-peak structure, which is understood from the dipole excitation in the 2 α core part with the prolate deformation. Because of valence neutron modes against the 2 α core, low-energy E 1 resonances appear in E <20 MeV, exhausting about 20 % of the Thomas-Reiche-Kuhn sum rule and 10 % of the calculated energy-weighted sum. The dipole resonance at E ˜15 MeV in 10Be can be interpreted as the parity partner of the ground state having a 6He+α structure and has remarkable E 1 strength because of the coherent contribution of two valence neutrons. The isoscalar dipole strength for some low-energy resonances is significantly enhanced by the coupling with the α -cluster mode. For the E 1 strength of 9Be, the calculation overestimates the energy-weighted sum (EWS) in the low-energy (E <20 MeV) and GDR (20

Early time excited-state structural evolution of pyranine in methanol revealed by femtosecond stimulated Raman spectroscopy.

PubMed

Wang, Yanli; Liu, Weimin; Tang, Longteng; Oscar, Breland; Han, Fangyuan; Fang, Chong

2013-07-25

To understand chemical reactivity of molecules in condensed phase in real time, a structural dynamics technique capable of monitoring molecular conformational motions on their intrinsic time scales, typically on femtoseconds to picoseconds, is needed. We have studied a strong photoacid pyranine (8-hydroxypyrene-1,3,6-trisulfonic acid, HPTS, pK(a)* ≈ 0) in pure methanol and observed that excited-state proton transfer (ESPT) is absent, in sharp contrast with our previous work on HPTS in aqueous solutions wherein ESPT prevails following photoexcitation. Two transient vibrational marker bands at ~1477 (1454) and 1532 (1528) cm(-1) appear in CH3OH (CD3OD), respectively, rising within the instrument response time of ~140 fs and decaying with 390-470 (490-1400) fs and ~200 ps time constants in CH3OH (CD3OD). We attribute the mode onset to small-scale coherent proton motion along the pre-existing H-bonding chain between HPTS and methanol, and the two decay stages to the low-frequency skeletal motion-modulated Franck-Condon relaxation within ~1 ps and subsequent rotational diffusion of H-bonding partners in solution before fluorescence. The early time kinetic isotope effect (KIE) of ~3 upon methanol deuteration argues active proton motions particularly within the first few picoseconds when coherent skeletal motions are underdamped. Pronounced quantum beats are observed for high-frequency modes consisting of strong phenolic COH rocking (1532 cm(-1)) or H-out-of-plane wagging motions (952 cm(-1)) due to anharmonic coupling to coherent low-frequency modes impulsively excited at ca. 96, 120, and 168 cm(-1). The vivid illustration of atomic motions of HPTS in varying H-bonding geometry with neighboring methanol molecules unravels the multidimensional energy relaxation pathways immediately following photoexcitation, and provides compelling evidence that, in lieu of ESPT, the photoacidity of HPTS promptly activates characteristic low-frequency skeletal motions to search phase

A numerical study of defect detection in a plaster dome ceiling using structural acoustics.

PubMed

Bucaro, J A; Romano, A J; Valdivia, N; Houston, B H; Dey, S

2009-07-01

A numerical study is carried out to evaluate the effectiveness of using measured surface displacements resulting from acoustic speaker excitation to detect and localize flaws in a domed, plaster ceiling. The response of the structure to an incident acoustic pressure is obtained at four frequencies between 100 and 400 Hz using a parallel h-p structural acoustic finite element-based code. Three ceiling conditions are modeled: the pristine ceiling considered rigidly attached to the domed-shape support, partial detachment of a segment of the plaster layer from the support, and an interior pocket of plaster deconsolidation modeled as a heavy fluid. Spatial maps of the normal displacement resulting from speaker excitation are interpreted with the help of predictions based on static analysis. It is found that acoustic speaker excitation can provide displacement levels readily detected by commercially available laser Doppler vibrometer systems. Further, it is concluded that for 1 in. thick plaster layers, detachment sizes as small as 4 cm are detectable by direct observation of the measured displacement maps. Finally, spatial structure differences are observed in the displacement maps beneath the two defect types, which may provide a wavenumber-based feature useful for distinguishing plaster detachment from other defects such as deconsolidation.

Three-photon Gaussian-Gaussian-Laguerre-Gaussian excitation of a localized atom to a highly excited Rydberg state

NASA Astrophysics Data System (ADS)

Mashhadi, L.

2017-12-01

Optical vortices are currently one of the most intensively studied topics in light-matter interaction. In this work, a three-step axial Doppler- and recoil-free Gaussian-Gaussian-Laguerre-Gaussian (GGLG) excitation of a localized atom to the highly excited Rydberg state is presented. By assuming a large detuning for intermediate states, an effective quadrupole excitation related to the Laguerre-Gaussian (LG) excitation to the highly excited Rydberg state is obtained. This special excitation system radially confines the single highly excited Rydberg atom independently of the trapping system into a sharp potential landscape into the so-called ‘far-off-resonance optical dipole-quadrupole trap’ (FORDQT). The key parameters of the Rydberg excitation to the highly excited state, namely the effective Rabi frequency and the effective detuning including a position-dependent AC Stark shift, are calculated in terms of the basic parameters of the LG beam and of the polarization of the excitation lasers. It is shown that the obtained parameters can be tuned to have a precise excitation of a single atom to the desired Rydberg state as well. The features of transferring the optical orbital and spin angular momentum of the polarized LG beam to the atom via quadrupole Rydberg excitation offer a long-lived and controllable qudit quantum memory. In addition, in contrast to the Gaussian laser beam, the doughnut-shaped LG beam makes it possible to use a high intensity laser beam to increase the signal-to-noise ratio in quadrupole excitation with minimized perturbations coming from stray light broadening in the last Rydberg excitation process.

Power efficient control algorithm of electromechanical unbalance vibration exciter with induction motor

NASA Astrophysics Data System (ADS)

Topovskiy, V. V.; Simakov, G. M.

2017-10-01

A control algorithm of an electromechanical unbalance vibration exciter that provides a free rotational movement is offered in the paper. The unbalance vibration exciter control system realizing a free rotational movement has been synthesized. The structured modeling of the synthesized system has been carried out and its transients are presented. The advantages and disadvantages of the proposed control algorithm applied to the unbalance vibration exciter are shown.

Experimental and Theoretical Investigations of Doubly-excited Sextet States in

NASA Astrophysics Data System (ADS)

Lin, Bin; Berry, H. Gordon; Livingston, A. Eugene; Garnir, Henri-Pierre; Bastin, Thierry; Désesquelles, J.

2002-05-01

The energies and wave functions of the highly doubly-excited sextet states of boron-like O IV, F V and Ne VI are calculated with the Multi-Configuration Hartree-Fock (MCHF) plus the hydrogen-like QED effects and higher-order corrections method. The highly doubly-excited sextet states of boron-like O IV, F V and Ne VI are well above several ionization levels and metastable, and possible candidates for XUV- and soft x-ray laser and energy storage. Three doubly-excited sextet configurations (1s2s2p3 6So, 1s2s2p23s 6P and 1s2p33s 6So) are studied. The wavelengths of electric dipole transitions from the inner-shell excited terms 1s2s2p23s 6P-1s2p33s 6So are investigated by the beam-foil spectroscopy in the XUV spectral region. The predicted transition wavelengths agree with the experiment to 0.08Å. The higher-order corrections and fine structures are found to be critically important in these comparisons.

Structural studies of a green-emitting terbium doped calcium zinc phosphate phosphor

NASA Astrophysics Data System (ADS)

Ramesh, B.; Dillip, G. R.; Rambabu, B.; Joo, S. W.; Raju, B. Deva Prasad

2018-03-01

In this study, a new green emitting CaZn2(PO4)2:Tb3+ phosphors were synthesized through solid-state reaction route. The phosphors were characterized structurally by X-ray diffraction, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). All the synthesized phosphors were crystallized in triclinic crystal structure with P 1 bar space group. The phosphate groups in the phosphors were confirmed by FTIR analysis. The surface elements O 1s, P 2p, Ca 2p, Zn 2p and Tb 3d were studied by high-resolution XPS spectra. Upon excitation at 378 nm, the dominant green emission of CaZn2(PO4)2:Tb3+ phosphors at 542 nm were noticed in the emission spectra. For various emission wavelengths (at 435 and 489 nm) and constant excitation wavelength (at 378 nm), the decay curves have shown two different decay dynamics of phosphors. The lighting properties such as Commission International de l'Eclairage (x = 0.319, y = 0.398) and color temperature (5995 K) were calculated.

Effect of Electronic Excitation on Hydrogen Atom Transfer (Tautomerization) Reactions for the DNA Base Adenine

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Salter, Latasha M.; Kwak, Dochan (Technical Monitor)

2002-01-01

Geometrical structures and energetic properties for four different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest single excited state potential energy surface are studied. The energetic order of the tautomers on the ground state potential surface is 9H less than 7H less than 3H less than 1H, while on the excited state surface this order is found to be different: 3H less than 1H less than 9H less than 7H. Minimum energy reaction paths are obtained for hydrogen atom transfer (9 yields 3 tautomerization) reactions in the ground and the lowest excited electronic state. It is found that the barrier heights and the shapes of the reaction paths are different for the ground and the excited electronic state, suggesting that the probability of such tautomerization reaction is higher on the excited state potential energy surface. The barrier for this reaction in the excited state may become very low in the presence of water or other polar solvent molecules, and therefore such tautomerization reaction may play an important role in the solution phase photochemistry of adenine.

OTEC cold water pipe design for problems caused by vortex-excited oscillations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Griffin, O. M.

1980-03-14

Vortex-excited oscillations of marine structures result in reduced fatigue life, large hydrodynamic forces and induced stresses, and sometimes lead to structural damage and to diestructive failures. The cold water pipe of an OTEC plant is nominally a bluff, flexible cylinder with a large aspect ratio (L/D = length/diameter), and is likely to be susceptible to resonant vortex-excited oscillations. The objective of this report is to survey recent results pertaining to the vortex-excited oscillations of structures in general and to consider the application of these findings to the design of the OTEC cold water pipe. Practical design calculations are given asmore » examples throughout the various sections of the report. This report is limited in scope to the problems of vortex shedding from bluff, flexible structures in steady currents and the resulting vortex-excited oscillations. The effects of flow non-uniformities, surface roughness of the cylinder, and inclination to the incident flow are considered in addition to the case of a smooth cyliner in a uniform stream. Emphasis is placed upon design procedures, hydrodynamic coefficients applicable in practice, and the specification of structural response parameters relevant to the OTEC cold water pipe. There are important problems associated with in shedding of vortices from cylinders in waves and from the combined action of waves and currents, but these complex fluid/structure interactions are not considered in this report.« less

RESONANT CAVITY EXCITATION SYSTEM

DOEpatents

Baker, W.R.; Kerns, Q.A.; Riedel, J.

1959-01-13

An apparatus is presented for exciting a cavity resonator with a minimum of difficulty and, more specifically describes a sub-exciter and an amplifier type pre-exciter for the high-frequency cxcitation of large cavities. Instead of applying full voltage to the main oscillator, a sub-excitation voltage is initially used to establish a base level of oscillation in the cavity. A portion of the cavity encrgy is coupled to the input of the pre-exciter where it is amplified and fed back into the cavity when the pre-exciter is energized. After the voltage in the cavity resonator has reached maximum value under excitation by the pre-exciter, full voltage is applied to the oscillator and the pre-exciter is tunned off. The cavity is then excited to the maximum high voltage value of radio frequency by the oscillator.

Age-related structural abnormalities in the human retina-choroid complex revealed by two-photon excited autofluorescence imaging.

PubMed

Han, Meng; Giese, Guenter; Schmitz-Valckenberg, Steffen; Bindewald-Wittich, Almut; Holz, Frank G; Yu, Jiayi; Bille, Josef F; Niemz, Markolf H

2007-01-01

The intensive metabolism of photoreceptors is delicately maintained by the retinal pigment epithelium (RPE) and the choroid. Dysfunction of either the RPE or choroid may lead to severe damage to the retina. Two-photon excited autofluorescence (TPEF) from endogenous fluorophores in the human retina provides a novel opportunity to reveal age-related structural abnormalities in the retina-choroid complex prior to apparent pathological manifestations of age-related retinal diseases. In the photoreceptor layer, the regularity of the macular photoreceptor mosaic is preserved during aging. In the RPE, enlarged lipofuscin granules demonstrate significantly blue-shifted autofluorescence, which coincides with the depletion of melanin pigments. Prominent fibrillar structures in elderly Bruch's membrane and choriocapillaries represent choroidal structure and permeability alterations. Requiring neither slicing nor labeling, TPEF imaging is an elegant and highly efficient tool to delineate the thick, fragile, and opaque retina-choroid complex, and may provide clues to the trigger events of age-related macular degeneration.

Red and blue shift of liquid water’s excited states: A many body perturbation study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ziaei, Vafa, E-mail: ziaei@thch.uni-bonn.de; Bredow, Thomas, E-mail: bredow@thch.uni-bonn.de

In the present paper, accurate optical absorption spectrum of liquid H{sub 2}O is calculated in the energy range of 5–20 eV to probe the nature of water’s excited states by means of many body perturbation approach. Main features of recent inelastic X-ray measurements are well reproduced, such as a bound excitonic peak at 7.9 eV with a shoulder at 9.4 eV as well as the absorption maximum at 13.9 eV, followed by a broad shoulder at 18.4 eV. The spectrum is dominated by excitonic effects impacting the structures of the spectrum at low and higher energy regimes mixed by singlemore » particle effects at high energies. The exciton distribution of the low-energy states, in particular of S{sub 1}, is highly anisotropic and localized mostly on one water molecule. The S{sub 1} state is essentially a HOCO-LUCO (highest occupied crystal orbital - lowest unoccupied crystal orbital) transition and of intra-molecular type, showing a localized valence character. Once the excitation energy is increased, a significant change in the character of the electronically excited states occurs, characterized through emergence of multiple quasi-particle peaks at 7.9 eV in the quasi-particle (QP) transition profile and in the occurring delocalized exciton density distribution, spread over many more water molecules. The exciton delocalization following a change of the character of excited states at around 7.9 eV causes the blue shift of the first absorption band with respect to water monomer S{sub 1}. However, due to reduction of the electronic band gap from gas to liquid phase, following enhanced screening upon condensation, the localized S{sub 1} state of liquid water is red-shifted with respect to S{sub 1} state of water monomer. For higher excitations, near vertical ionization energy (11 eV), quasi-free electrons emerge, in agreement with the conduction band electron picture. Furthermore, the occurring red and blue shift of the excited states are independent of the coupling of

Simultaneous Excitation of Multiple-Input Multiple-Output CFD-Based Unsteady Aerodynamic Systems

NASA Technical Reports Server (NTRS)

Silva, Walter A.

2008-01-01

A significant improvement to the development of CFD-based unsteady aerodynamic reduced-order models (ROMs) is presented. This improvement involves the simultaneous excitation of the structural modes of the CFD-based unsteady aerodynamic system that enables the computation of the unsteady aerodynamic state-space model using a single CFD execution, independent of the number of structural modes. Four different types of inputs are presented that can be used for the simultaneous excitation of the structural modes. Results are presented for a flexible, supersonic semi-span configuration using the CFL3Dv6.4 code.

Simultaneous Excitation of Multiple-Input Multiple-Output CFD-Based Unsteady Aerodynamic Systems

NASA Technical Reports Server (NTRS)

Silva, Walter A.

2007-01-01

A significant improvement to the development of CFD-based unsteady aerodynamic reduced-order models (ROMs) is presented. This improvement involves the simultaneous excitation of the structural modes of the CFD-based unsteady aerodynamic system that enables the computation of the unsteady aerodynamic state-space model using a single CFD execution, independent of the number of structural modes. Four different types of inputs are presented that can be used for the simultaneous excitation of the structural modes. Results are presented for a flexible, supersonic semi-span configuration using the CFL3Dv6.4 code.

Stress analysis of rotating propellers subject to forced excitations

NASA Astrophysics Data System (ADS)

Akgun, Ulas

Turbine blades experience vibrations due to the flow disturbances. These vibrations are the leading cause for fatigue failure in turbine blades. This thesis presents the finite element analysis methods to estimate the maximum vibrational stresses of rotating structures under forced excitation. The presentation included starts with the derived equations of motion for vibration of rotating beams using energy methods under the Euler Bernoulli beam assumptions. The nonlinear large displacement formulation captures the centrifugal stiffening and gyroscopic effects. The weak form of the equations and their finite element discretization are shown. The methods implemented were used for normal modes analyses and forced vibration analyses of rotating beam structures. The prediction of peak stresses under simultaneous multi-mode excitation show that the maximum vibrational stresses estimated using the linear superposition of the stresses can greatly overestimate the stresses if the phase information due to damping (physical and gyroscopic effects) are neglected. The last section of this thesis also presents the results of a practical study that involves finite element analysis and redesign of a composite propeller.

Spatiotemporal dynamics in excitable homogeneous random networks composed of periodically self-sustained oscillation.

PubMed

Qian, Yu; Liu, Fei; Yang, Keli; Zhang, Ge; Yao, Chenggui; Ma, Jun

2017-09-19

The collective behaviors of networks are often dependent on the network connections and bifurcation parameters, also the local kinetics plays an important role in contributing the consensus of coupled oscillators. In this paper, we systematically investigate the influence of network structures and system parameters on the spatiotemporal dynamics in excitable homogeneous random networks (EHRNs) composed of periodically self-sustained oscillation (PSO). By using the dominant phase-advanced driving (DPAD) method, the one-dimensional (1D) Winfree loop is exposed as the oscillation source supporting the PSO, and the accurate wave propagation pathways from the oscillation source to the whole network are uncovered. Then, an order parameter is introduced to quantitatively study the influence of network structures and system parameters on the spatiotemporal dynamics of PSO in EHRNs. Distinct results induced by the network structures and the system parameters are observed. Importantly, the corresponding mechanisms are revealed. PSO influenced by the network structures are induced not only by the change of average path length (APL) of network, but also by the invasion of 1D Winfree loop from the outside linking nodes. Moreover, PSO influenced by the system parameters are determined by the excitation threshold and the minimum 1D Winfree loop. Finally, we confirmed that the excitation threshold and the minimum 1D Winfree loop determined PSO will degenerate as the system size is expanded.

Carbon nanorings with inserted acenes: Breaking symmetry in excited state dynamics

DOE PAGES

Franklin-Mergarejo, R.; Alvarez, D. Ondarse; Tretiak, S.; ...

2016-08-10

Conjugated cycloparaphenylene rings have unique electronic properties being the smallest segments of carbon nanotubes. Their conjugated backbones support delocalized electronic excitations, which dynamics is strongly influenced by cyclic geometry. Here we present a comparative theoretical study of the electronic and vibrational energy relaxation and redistribution in photoexcited cycloparaphenylene carbon nanorings with inserted naphthalene, anthracene, and tetracene units using non-adiabatic excited-state molecular dynamics simulations. Calculated excited state structures reflect modifications of optical selection rules and appearance of low-energy electronic states localized on the acenes due to gradual departure from a perfect circular symmetry. After photoexcitation, an ultrafast electronic energy relaxation tomore » the lowest excited state is observed on the time scale of hundreds of femtoseconds in all molecules studied. Concomitantly, the efficiency of the exciton trapping in the acene raises when moving from naphthalene to anthracene and to tetracene, being negligible in naphthalene, and ~60% and 70% in anthracene and tetracene within the first 500 fs after photoexcitation. Observed photoinduced dynamics is further analyzed in details using induced molecular distortions, delocatization properties of participating electronic states and non-adiabatic coupling strengths. Lastly, our results provide a number of insights into design of cyclic molecular systems for electronic and light-harvesting applications.« less

Quantum Scattering Study of Ro-Vibrational Excitations in N+N(sub 2) Collisions under Re-entry Conditions

NASA Technical Reports Server (NTRS)

Wang, Dunyou; Stallcop, James R.; Dateo, Christopher E.; Schwenke, David W.; Huo, Winifred M.

2004-01-01

A three-dimensional time-dependent quantum dynamics approach using a recently developed ab initio potential energy surface is applied to study ro-vibrational excitation in N+N2 exchange scattering for collision energies in the range 2.1- 3.2 eV. State-to-state integral exchange cross sections are examined to determine the distribution of excited rotational states of N(sub 2). The results demonstrate that highly-excited rotational states are produced by exchange scattering and furthermore, that the maximum value of (Delta)j increases rapidly with increasing collision energies. Integral exchange cross sections and exchange rate constants for excitation to the lower (upsilon = 0-3) vibrational energy levels are presented as a function of the collision energy. Excited-vibrational-state distributions for temperatures at 2,000 K and 10,000 K are included.

Calculation of Excitation Function of Some Structural Fusion Material for (n, p) Reactions up to 25 MeV

NASA Astrophysics Data System (ADS)

Reshid, Tarik S.

2013-04-01

Fusion serves an inexhaustible energy for humankind. Although there have been significant research and development studies on the inertial and magnetic fusion reactor technology, Furthermore, there are not radioactive nuclear waste problems in the fusion reactors. In this study, (n, p) reactions for some structural fusion materials such as 27Al, 51V, 52Cr, 55Mn and 56Fe have been investigated. The new calculations on the excitation functions of 27 Al(n, p) 27 Mg, 51 V(n, p) 51 Ti, 52 Cr(n, p) 52 V, 55 Mn(n, p) 55 Cr and 56 Fe(n, p) 56 Mn reactions have been carried out up to 30 MeV incident neutron energy. Statistical model calculations, based on the Hauser-Feshbach formalism, have been carried out using the TALYS-1.0 and were compared with available experimental data in the literature and with ENDF/B-VII, T = 300 K; JENDL-3.3, T = 300 K and JEFF-3.1, T = 300 K evaluated libraries.

Potential and Limitations of the Modal Characterization of a Spacecraft Bus Structure by Means of Active Structure Elements

NASA Technical Reports Server (NTRS)

Grillenbeck, Anton M.; Dillinger, Stephan A.; Elliott, Kenny B.

1998-01-01

Theoretical and experimental studies have been performed to investigate the potential and limitations of the modal characterization of a typical spacecraft bus structure by means of active structure elements. The aim of these studies has been test and advance tools for performing an accurate on-orbit modal identification which may be characterized by the availability of a generally very limited test instrumentation, autonomous excitation capabilities by active structure elements and a zero-g environment. The NASA LARC CSI Evolutionary Testbed provided an excellent object for the experimental part of this study program. The main subjects of investigation were: (1) the selection of optimum excitation and measurement to unambiguously identify modes of interest; (2) the applicability of different types of excitation means with focus on active structure elements; and (3) the assessment of the modal identification potential of different types of excitation functions and modal analysis tools. Conventional as well as dedicated modal analysis tools were applied to determine modal parameters and mode shapes. The results will be presented and discussed based on orthogonality checks as well as on suitable indicators for the quality of the acquired modes with respect to modal purity. In particular, the suitability for modal analysis of the acquired frequency response functions as obtained by excitation with active structure elements will be demonstrated with the help of reciprocity checks. Finally, the results will be summarized in a procedure to perform an on-orbit modal identification, including an indication of limitation to be observed.

Modal analysis of a loaded tire with non-contact measurements and piezoelectric excitation

NASA Astrophysics Data System (ADS)

Ferhat, Ipar; Tarazaga, Pablo A.

2017-04-01

The complex nature of tires requires very precise test data to model the structure accurately. The highly damped characteristics, geometric features and operational conditions of tires cause various testing difficulties that affect the reliability of the modal testing. One of the biggest challenges of tire testing is exciting the whole tire at once. Conventionally, impact hammers, shakers, and cleats are used as an excitation input. The shortcomings of these excitation methods are the directional and force inconsistency of hammer impacts, coupled dynamics of shakers and speed limitations of cleat excitation. Other challenges of modal testing of tires are the effect of added mass due to sensor placements and difficulty of vibration measurement of a rotating tire with accelerometers. In order to remedy these problems, we conduct experimental modal analysis (EMA) using a non-contact measurement technique and piezoelectric excitation. For non-contact measurement, a 3-D scanning laser doppler vibrometer (SLDV) is used. For the piezoelectric excitation, Micro Fiber Composite (MFC) patches are used due to their flexible nature and power capacity. This excitation method can also be crucial to the excitation of rotating tires since the cleat excitation is not adequate for low-speed measurements. Furthermore, the piezoelectric actuation could be used as sensors as well as noise controllers in operating conditions. For this work, we run experiments for a loaded tire in non-rotating condition. Experiments are carried out for the frequency bandwidth up to 500Hz to capture the structural behavior under high-frequency excitations and its potential coupled behavior to airborne noise.

Collective Excitations in Protein as a Measure of Balance Between its Softness and Rigidity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shrestha, Utsab R.; Bhowmik, Debsindhu; Van Delinder, Kurt W.

Here, we elucidate the protein activity from the perspective of protein softness and flexibility by studying the collective phonon-like excitations in a globular protein, human serum albumin (HSA), and taking advantage of the state-of-the-art inelastic X-ray scattering (IXS) technique. Such excitations demonstrate that the protein becomes softer upon thermal denaturation due to disruption of weak noncovalent bonds. On the other hand, no significant change in the local excitations is detected in ligand- (drugs) bound HSA compared to the ligand-free HSA. These results clearly suggest that the protein conformational flexibility and rigidity are balanced by the native protein structure for biologicalmore » activity.« less

Control of base-excited dynamical systems through piezoelectric energy harvesting absorber

NASA Astrophysics Data System (ADS)

Abdelmoula, H.; Dai, H. L.; Abdelkefi, A.; Wang, L.

2017-09-01

The spring-mass absorber usually offers a good control to dynamical systems under direct base excitations for a specific value of the excitation frequency. As the vibrational energy of a primary dynamical system is transferred to the absorber, it gets dissipated. In this study, this energy is no longer dissipated but converted to available electrical power by designing efficient energy harvesters. A novel design of a piezoelectric beam installed inside an elastically-mounted dynamical system undergoing base excitations is considered. A design is carried out in order to determine the properties and dimensions of the energy harvester with the constraint of simultaneously decreasing the oscillating amplitudes of the primary dynamical system and increasing the harvested power of the energy harvesting absorber. An analytical model for the coupled system is constructed using Euler-Lagrange principle and Galerkin discretization. Different strategies for controlling the primary structure displacement and enhancing the harvested power as functions of the electrical load resistance and thickness of the beam substrate are performed. The linear polynomial approximation of the system’s key parameters as a function of the beam’s substrate thickness is first carried out. Then, the gradient method is applied to determine the adequate values of the electrical load resistance and thickness of the substrate under the constraints of minimizing the amplitudes of the primary structure or maximizing the levels of the harvested power. After that, an iterative strategy is considered in order to simultaneously minimize the amplitudes of the primary structure and maximize the levels of the harvested power as functions of the thickness of the substrate and electrical load resistance. In addition to harmonic excitations, the coupled system subjected to a white noise is explored. Through this analysis, the load resistance and thickness of the substrate of the piezoelectric energy harvester

Generation and customization of biosynthetic excitable tissues for electrophysiological studies and cell-based therapies.

PubMed

Nguyen, Hung X; Kirkton, Robert D; Bursac, Nenad

2018-05-01

We describe a two-stage protocol to generate electrically excitable and actively conducting cell networks with stable and customizable electrophysiological phenotypes. Using this method, we have engineered monoclonally derived excitable tissues as a robust and reproducible platform to investigate how specific ion channels and mutations affect action potential (AP) shape and conduction. In the first stage of the protocol, we combine computational modeling, site-directed mutagenesis, and electrophysiological techniques to derive optimal sets of mammalian and/or prokaryotic ion channels that produce specific AP shape and conduction characteristics. In the second stage of the protocol, selected ion channels are stably expressed in unexcitable human cells by means of viral or nonviral delivery, followed by flow cytometry or antibiotic selection to purify the desired phenotype. This protocol can be used with traditional heterologous expression systems or primary excitable cells, and application of this method to primary fibroblasts may enable an alternative approach to cardiac cell therapy. Compared with existing methods, this protocol generates a well-defined, relatively homogeneous electrophysiological phenotype of excitable cells that facilitates experimental and computational studies of AP conduction and can decrease arrhythmogenic risk upon cell transplantation. Although basic cell culture and molecular biology techniques are sufficient to generate excitable tissues using the described protocol, experience with patch-clamp techniques is required to characterize and optimize derived cell populations.

Exploring Photoinduced Excited State Evolution in Heterobimetallic Ru(II)-Co(III) Complexes.

PubMed

Kuhar, Korina; Fredin, Lisa A; Persson, Petter

2015-06-18

Quantum chemical calculations provide detailed theoretical information concerning key aspects of photoinduced electron and excitation transfer processes in supramolecular donor-acceptor systems, which are particularly relevant to fundamental charge separation in emerging molecular approaches for solar energy conversion. Here we use density functional theory (DFT) calculations to explore the excited state landscape of heterobimetallic Ru-Co systems with varying degrees of interaction between the two metal centers, unbound, weakly bound, and tightly bound systems. The interplay between structural and electronic factors involved in various excited state relaxation processes is examined through full optimizations of multiple charge/spin states of each of the investigated systems. Low-energy relaxed heterobimetallic states of energy transfer and excitation transfer character are characterized in terms of energy, structure, and electronic properties. These findings support the notion of efficient photoinduced charge separation from a Ru(II)-Co(III) ground state, via initial optical excitation of the Ru-center, to low-energy Ru(III)-Co(II) states. The strongly coupled system has significant involvement of the conjugated bridge, qualitatively distinguishing it from the other two weakly coupled systems. Finally, by constructing potential energy surfaces for the three systems where all charge/spin state combinations are projected onto relevant reaction coordinates, excited state decay pathways are explored.

The energy structure and decay channels of the 4p6-shell excited states in Sr

NASA Astrophysics Data System (ADS)

Kupliauskienė, A.; Kerevičius, G.; Borovik, V.; Shafranyosh, I.; Borovik, A.

2017-11-01

The ejected-electron spectra arising from the decay of the 4p{}5{{nln}}{\\prime }{l}{\\prime }{n}{\\prime\\prime }{l}{\\prime\\prime } autoionizing states in Sr atoms have been studied precisely at the incident-electron energies close to excitation and ionization thresholds of the 4{{{p}}}6 subshell. The excitation behaviors for 58 lines observed between 12 and 21 eV ejected-electron kinetic energy have been investigated. Also, the ab initio calculations of excitation energies, autoionization probabilities and electron-impact excitation cross sections of the states 4p{}5{{nln}}{\\prime }{l}{\\prime }{n}{\\prime\\prime }{l}{\\prime\\prime } (nl = 4d, 5s, 5p; {n}{\\prime }{l}{\\prime } = 4d, 5s, 5p; {n}{\\prime\\prime }{l}{\\prime\\prime } = 5s, 6s, 7s, 8s, 9s, 5p, 6p, 5d, 6d, 7d, 8d, 4f, 5g) have been performed by employing the large-scale configuration-interaction method in the basis of the solutions of Dirac-Fock-Slater equations. The obtained experimental and theoretical data have been used for the accurate identification of the 60 lines in ejected-electron spectra and the 68 lines observed earlier in photoabsorption spectra. The excitation and decay processes for 105 classified states in the 4p55s{}2{nl}, 4p54d{}2{nl} and 4p55s{{nln}}{\\prime }{l}{\\prime } configurations have been considered in detail. In particular, most of the states lying below the ionization threshold of the 4p6 subshell at 26.92 eV possess up to four decay channels with formation of Sr+ in 5s{}1/2, 4d{}3/{2,5/2} and 5p{}1/{2,3/2} states. Two-step autoionization and two-electron Auger transitions with formation of Sr2+ in the 4p6 {}1{{{S}}}0 ground state are the main decay paths for high-lying autoionizing states. The excitation threshold of the 4{{{p}}}6 subshell in Sr has been established at 20.98 ± 0.05 eV.

Ionization studies in laser-excited alkaline-earth vapors.

PubMed

Hermann, J P; Wynne, J J

1980-06-01

We report on the time behavior of ionization signals produced by laser excitation of Ca and Ba atomic vapor to high-Rydberg states. A space-charge-limited thermionic diode detector shows a long-lived (>I-msec) ionization signal. However, optical detection of atomic ions (Ca+, Ba+) shows that these species live for much shorter times (<100 microsec). These results, in conjunction with published results on mass-spectrometric studies of high-density atomic beams, suggest that our ionization signal is primarily due to molecular species (Ca2+, Ba2+). We also observed optically pumped amplified spontaneous emission and stimulated electronic Raman scattering in Ca+ and Ba+.

Harmonic plasma waves excitation and structure evolution of intense ion beams in background plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Zhang-Hu, E-mail: zhanghu@dlut.edu.cn; Wang, You-Nian

2016-08-15

The long-term dynamic evolutions of intense ion beams in plasmas have been investigated with two-dimensional electromagnetic particle simulations, taking into account the effect of the two-stream instability between beam ions and plasma electrons. Depending on the initial beam radial density profile and velocity distribution, ring structures may be formed in the beam edge regions. At the later stage of beam-plasma interactions, the ion beams are strongly modulated by the two-stream instability and multiple density spikes are formed in the longitudinal direction. The formation of these density spikes is shown to result from the excitation of harmonic plasma waves when themore » instability gets saturated. Comparisons between the beam cases with initial flat-top and Gaussian radial density profiles are made, and a higher instability growth rate is observed for the flat-top profile case.« less

Molecular Level Understanding of Interfaces and Excited State Electronic Structure in Organic Solar Cells Using Soft X-ray Techniques

NASA Astrophysics Data System (ADS)

Gliboff, Matthew

Transparent conductive oxides like indium tin oxide (ITO) are common substrates for optoelectronic devices, including organic light emitting diodes and organic solar cells. Tailoring the interface between the oxide and the active layer by adjusting the work function or wettability of the oxide can improve the performance of these devices in both emissive and photovoltaic applications. Molecular design of self-assembled monolayers (SAMs) allows for a range of surface properties using the same oxide material. The molecular ordering and conformation adopted by the SAMs determine properties such as work function and wettability at these critical interfaces. I use angle-dependent near edge x-ray absorption fine structure (NEXAFS) spectroscopy, to determine the molecular orientations of a variety of dipolar phosphonic acid surface modifiers. For a model system, phenylphosphonic acid on indium zinc oxide, the SAMs prove to be surprisingly well-oriented, with the phenyl ring adopting a well-defined tilt angle of 12-16° from the surface normal. The NEXAFS results agree with polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) results and orientations calculated from density functional theory (DFT). These results not only provide a detailed picture of the molecular structure of a technologically important class of SAMs, but they also resolve a long-standing ambiguity regarding the vibrational-mode assignments for phosphonic acids on oxide surfaces, thus improving the utility of PM-IRRAS for future studies. The effect of fluorination on the orientation of these phosponic-acid SAMs is non-trivial, due to the combined effects of the fluorination on binding mode and steric packing. The latter effects are found to be more dominant in aliphatic SAMs, leading to a more upright orientation in the fluorinated SAM. In the aromatic case, the fluorinated SAM adopted a less upright orientation which I attribute to changes in binding mode. The relationship

High-efficiency broadband excitation and propagation of second-mode spoof surface plasmon polaritons by a complementary structure.

PubMed

Zhang, Dawei; Zhang, Kuang; Wu, Qun; Yang, Guohui; Sha, Xuejun

2017-07-15

A complementary structure based on coplanar waveguides (CPWs) with periodical etching slots is proposed to support spoof surface plasmon polaritons (SSPPs). In contrast to the traditional slotline-based complementary SSPP structure, a dispersion curve of the second mode by the proposed structure has a much lower starting point from the origin which exhibits greatly improved operating bandwidth. Moreover, tighter confinements of SSPPs in the region of small wave vectors corresponding to lower frequencies can be predicted from the dispersion analysis, which means enhancement of transmission efficiency. Then a simple and efficient transition structure with tapered CPWs and gradient slots is proposed to realize high-efficiency and broadband excitation of the second mode of SSPPs for the first time, to the best of our knowledge. Based on the proposed structure, a seamless connection between CPWs and the SSPP structure can be achieved. The measured insertion loss and return loss below 6.6 GHz is better than -0.86 and -13.62  dB, respectively. Furthermore, it can be seen from the measurement results that a 3 dB bandwidth ranges from 0 to 10.57 GHz, and the return loss is better than -10  dB from 0 to 8.96 GHz. The proposed structure can promote the development of plasmonic integrate circuits and functional devices at microwave frequencies.

Optimizing ultrafast illumination for multiphoton-excited fluorescence imaging

PubMed Central

Stoltzfus, Caleb R.; Rebane, Aleksander

2016-01-01

We study the optimal conditions for high throughput two-photon excited fluorescence (2PEF) and three-photon excited fluorescence (3PEF) imaging using femtosecond lasers. We derive relations that allow maximization of the rate of imaging depending on the average power, pulse repetition rate, and noise characteristics of the laser, as well as on the size and structure of the sample. We perform our analysis using ~100 MHz, ~1 MHz and 1 kHz pulse rates and using both a tightly-focused illumination beam with diffraction-limited image resolution, as well loosely focused illumination with a relatively low image resolution, where the latter utilizes separate illumination and fluorescence detection beam paths. Our theoretical estimates agree with the experiments, which makes our approach especially useful for optimizing high throughput imaging of large samples with a field-of-view up to 10x10 cm2. PMID:27231620

Multi-modal highlight generation for sports videos using an information-theoretic excitability measure

NASA Astrophysics Data System (ADS)

Hasan, Taufiq; Bořil, Hynek; Sangwan, Abhijeet; L Hansen, John H.

2013-12-01

The ability to detect and organize `hot spots' representing areas of excitement within video streams is a challenging research problem when techniques rely exclusively on video content. A generic method for sports video highlight selection is presented in this study which leverages both video/image structure as well as audio/speech properties. Processing begins where the video is partitioned into small segments and several multi-modal features are extracted from each segment. Excitability is computed based on the likelihood of the segmental features residing in certain regions of their joint probability density function space which are considered both exciting and rare. The proposed measure is used to rank order the partitioned segments to compress the overall video sequence and produce a contiguous set of highlights. Experiments are performed on baseball videos based on signal processing advancements for excitement assessment in the commentators' speech, audio energy, slow motion replay, scene cut density, and motion activity as features. Detailed analysis on correlation between user excitability and various speech production parameters is conducted and an effective scheme is designed to estimate the excitement level of commentator's speech from the sports videos. Subjective evaluation of excitability and ranking of video segments demonstrate a higher correlation with the proposed measure compared to well-established techniques indicating the effectiveness of the overall approach.

Investigation on the forced response of a radial turbine under aerodynamic excitations

NASA Astrophysics Data System (ADS)

Ma, Chaochen; Huang, Zhi; Qi, Mingxu

2016-04-01

Rotor blades in a radial turbine with nozzle guide vanes typically experience harmonic aerodynamic excitations due to the rotor stator interaction. Dynamic stresses induced by the harmonic excitations can result in high cycle fatigue (HCF) of the blades. A reliable prediction method for forced response issue is essential to avoid the HCF problem. In this work, the forced response mechanisms were investigated based on a fluid structure interaction (FSI) method. Aerodynamic excitations were obtained by three-dimensional unsteady computational fluid dynamics (CFD) simulation with phase shifted periodic boundary conditions. The first two harmonic pressures were determined as the primary components of the excitation and applied to finite element (FE) model to conduct the computational structural dynamics (CSD) simulation. The computed results from the harmonic forced response analysis show good agreement with the predictions of Singh's advanced frequency evaluation (SAFE) diagram. Moreover, the mode superposition method used in FE simulation offers an efficient way to provide quantitative assessments of mode response levels and resonant strength.

Excitation-energy influence at the scission configuration

NASA Astrophysics Data System (ADS)

Ramos, D.; Rodríguez-Tajes, C.; Caamaño, M.; Farget, F.; Audouin, L.; Benlliure, J.; Casarejos, E.; Clement, E.; Cortina, D.; Delaune, O.; Derkx, X.; Dijon, A.; Doré, D.; Fernández-Domínguez, B.; de France, G.; Heinz, A.; Jacquot, B.; Navin, A.; Paradela, C.; Rejmund, M.; Roger, T.; Salsac, M.-D.; Schmitt, C.

2017-09-01

Transfer- and fusion-induced fission in inverse kinematics was proven to be a powerful tool to investigate nuclear fission, widening the information of the fission fragments and the access to unstable fissioning systems with respect to other experimental approaches. An experimental campaign for fission investigation has being carried out at GANIL with this technique since 2008. In these experiments, a beam of 238U, accelerated to 6.1 MeV/u, impinges on a 12C target. Fissioning systems from U to Cf are populated through transfer and fusion reactions, with excitation energies that range from few MeV up to 46 MeV. The use of inverse kinematics, the SPIDER telescope, and the VAMOS spectrometer permitted the characterization of the fissioning system in terms of mass, nuclear charge, and excitation energy, and the isotopic identification of the full fragment distribution. The neutron excess, the total neutron multiplicity, and the even-odd staggering in the nuclear charge of fission fragments are presented as a function of the excitation energy of the fissioning system. Structure effects are observed at Z˜50 and Z˜55, where their impact evolves with the excitation energy.

Asymmetry induces Q-band split in the electronic excitations of magnesium porphyrin

NASA Astrophysics Data System (ADS)

Jiang, Xiankai; Gao, Yi; Lal, Ratnesh; Hu, Jun; Song, Bo

2018-07-01

The electronic excitations of magnesium porphyrin (MgP), a molecular model for understanding the physics in light harvesting by biological systems, have been studied extensively. However, the theoretical underpinning of experimental measurements is still lacking, especially about the sub-bands in absorption spectrum. Here we propose that an asymmetry of MgP based on the uneven charge distribution of pyrrole rings and the linear structure of sp hybridised orbitals in Mg can largely influence the electronic excitations. Upon a very weak asymmetry of Mg-pyrrole bindings in MgP being introduced through the uneven distribution of charge, three different excitations are observed in the Q-band region of the experimental spectrum. Additionally, the predicted B-band excitations are highly correlated (10-2 eV level) with experimental measurements. In contrast, without this asymmetry, there are only two degenerate excitations in the Q-band region, and low agreement (10-1 eV level) of the B-band excitations with the experiment. The key physics of the unexpected and observable asymmetry in MgP is the ability of Mg to form sp hybridised orbitals on the third shell upon Mg binding to the nitrogen of pyrrole ring. Our findings provide new insight for high-energy efficiency of natural as well as artificial light-harvesting system for energy challenge.

Relaxation and collective excitations of cluster nano-plasmas

NASA Astrophysics Data System (ADS)

Reinholz, Heidi; Röpke, Gerd; Broda, Ingrid; Morozov, Igor; Bystryi, Roman; Lavrinenko, Yaroslav

2018-01-01

Nano-plasmas produced, for example, in clusters after short-pulse laser irradiation, can show collective excitations, as derived from the time evolution of fluctuations in thermodynamic equilibrium. Molecular dynamical simulations are performed for various cluster sizes. New data are obtained for the minimum value of the stationary cluster charge. The bi-local autocorrelation function gives the spatial structure of the eigenmodes, for which energy eigenvalues are obtained. By varying the cluster size, starting from a few-particle cluster, the emergence of macroscopic properties such as collective excitations is shown.

Theoretical study of ArH+ dissociative recombination and electron-impact vibrational excitation

NASA Astrophysics Data System (ADS)

Abdoulanziz, A.; Colboc, F.; Little, D. A.; Moulane, Y.; Mezei, J. Zs; Roueff, E.; Tennyson, J.; Schneider, I. F.; Laporta, V.

2018-06-01

Cross sections are presented for dissociative recombination and electron-impact vibrational excitation of the ArH+ molecular ion at electron energies appropriate for the interstellar environment. The R-matrix method is employed to determine the molecular structure data, i.e. the position and width of the resonance states. The cross sections and the corresponding Maxwellian rate coefficients are computed using a method based on the Multichannel Quantum Defect Theory. The main result of the paper is the very low dissociative recombination rate found at temperatures below 1000K. This is in agreement with the previous upper limit measurement in merged beams and offers a realistic explanation to the presence of ArH+ in exotic interstellar conditions.

Unsteady hydrodynamics of blade forces and acoustic responses of a model scaled submarine excited by propeller's thrust and side-forces

NASA Astrophysics Data System (ADS)

Wei, Yingsan; Wang, Yongsheng

2013-04-01

This study presents the unsteady hydrodynamics of the excitations from a 5-bladed propeller at two rotating speeds running in the wake of a small-scaled submarine and the behavior of the submarine's structure and acoustic responses under the propeller excitations. Firstly, the propeller flow and submarine flows are independently validated. The propulsion of the hull-propeller is simulated using computational fluid dynamics (CFD), so as to obtain the transient responses of the propeller excitations. Finally, the structure and acoustic responses of the submarine under propeller excitations are predicted using a finite element/boundary element model in the frequency domain. Results show that (1) the propeller excitations are tonal at the propeller harmonics, and the propeller transversal force is bigger than vertical force. (2) The structure and acoustic responses of the submarine hull is tonal mainly at the propeller harmonics and the resonant mode frequencies of the hull, and the breathing mode in axial direction as well as the bending modes in vertical and transversal directions of the hull can generate strong structure vibration and underwater noise. (3) The maximum sound pressure of the field points increases with the increasing propeller rotating speed at structure resonances and propeller harmonics, and the rudders resonant mode also contributes a lot to the sound radiation. Lastly, the critical rotating speeds of the submarine propeller are determined, which should be carefully taken into consideration when match the propeller with prime mover in the propulsion system. This work shows the importance of the propeller's tonal excitation and the breathing mode plus the bending modes in evaluating submarine's noise radiation.

Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling.

PubMed

Peters, William K; Couch, David E; Mignolet, Benoit; Shi, Xuetao; Nguyen, Quynh L; Fortenberry, Ryan C; Schlegel, H Bernhard; Remacle, Françoise; Kapteyn, Henry C; Murnane, Margaret M; Li, Wen

2017-12-26

Highly excited electronic states are challenging to explore experimentally and theoretically-due to the large density of states and the fact that small structural changes lead to large changes in electronic character with associated strong nonadiabatic dynamics. They can play a key role in astrophysical and ionospheric chemistry, as well as the detonation chemistry of high-energy density materials. Here, we implement ultrafast vacuum-UV (VUV)-driven electron-ion coincidence imaging spectroscopy to directly probe the reaction pathways of highly excited states of energetic molecules-in this case, methyl azide. Our data, combined with advanced theoretical simulations, show that photoexcitation of methyl azide by a 10-fs UV pulse at 8 eV drives fast structural changes and strong nonadiabatic coupling that leads to relaxation to other excited states on a surprisingly fast timescale of 25 fs. This ultrafast relaxation differs from dynamics occurring on lower excited states, where the timescale required for the wavepacket to reach a region of strong nonadiabatic coupling is typically much longer. Moreover, our theoretical calculations show that ultrafast relaxation of the wavepacket to a lower excited state occurs along one of the conical intersection seams before reaching the minimum energy conical intersection. These findings are important for understanding the unique strongly coupled non-Born-Oppenheimer molecular dynamics of VUV-excited energetic molecules. Although such observations have been predicted for many years, this study represents one of the few where such strongly coupled non-Born-Oppenheimer molecular dynamics of VUV-excited energetic molecules have been conclusively observed directly, making it possible to identify the ultrafast reaction pathways.

Thermal annealing and transient electronic excitations induced interfacial and magnetic effects on Pt/Co/Pt trilayer

NASA Astrophysics Data System (ADS)

Sehdev, Neeru; Medwal, Rohit; Malik, Rakesh; Kandasami, Asokan; Kanjilal, Dinakar; Annapoorni, S.

2018-04-01

Present study investigates the importance of thermal annealing and transient electronic excitations (using 100 MeV oxygen ions) in assisting the interfacial atomic diffusion, alloy composition, and magnetic switching field distributions in Pt/Co/Pt stacked trilayer. X-ray diffraction analysis reveals that thermal annealing results in the formation of the face centered tetragonal L1°CoPt phase. The Rutherford back scattering spectra shows a trilayer structure for as-deposited and as-irradiated films. Interlayer mixing on the thermally annealed films further improves by electronic excitations produced by high energy ion irradiation. Magnetically hard face centered tetragonal CoPt alloy retains its hard phase after ion irradiation and reveals an enhancement in the structural ordering and magnetic stability. Enhancement in the homogeneity of alloy composition and its correlation with the magnetic switching field is evident from this study. A detailed investigation of the contributing parameters shows that the magnetic switching behaviour varies with the type of thermal annealing, transient electronic excitations of ion beams and combination of these processes.

Wave Propagation in Inhomogeneous Excitable Media

NASA Astrophysics Data System (ADS)

Zykov, Vladimir S.; Bodenschatz, Eberhard

2018-03-01

Excitable media are ubiquitous in nature and can be found in physical, chemical, and biological systems that are far from thermodynamic equilibrium. The spatiotemporal self-organization of these systems has long attracted the deep interest of condensed matter physicists and applied mathematicians alike. Spatial inhomogeneity of excitable media leads to nontrivial spatiotemporal dynamics. Here, we report on well-established as well as recent developments in the experimental and theoretical studies of inhomogeneous excitable media.

Relaxation channels of multi-photon excited xenon clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Serdobintsev, P. Yu.; Melnikov, A. S.; Department of Physics, St. Petersburg State University, Saint Petersburg 198904

2015-09-21

The relaxation processes of the xenon clusters subjected to multi-photon excitation by laser radiation with quantum energies significantly lower than the thresholds of excitation of atoms and ionization of clusters were studied. Results obtained by means of the photoelectron spectroscopy method showed that desorption processes of excited atoms play a significant role in the decay of two-photon excited xenon clusters. A number of excited states of xenon atoms formed during this process were discovered and identified.

Initiation of rotors by fast propagation regions in excitable media: A theoretical study

NASA Astrophysics Data System (ADS)

Gao, Xiang; Krekhov, Alexei; Zykov, Vladimir; Bodenschatz, Eberhard

2018-02-01

We study the effect of geometry of a fast propagation region (FPR) in an excitable medium on the rotor initiation using a generic two-dimensional reaction-diffusion model. We find that, while the flat boundary of a rectangularly shaped FPR may block the propagation of the excitation wave, a large local curvature at the rounded corners of the FPR would prevent the blockage and thus initiate a rotor. Our simulations demonstrate that the prerequisites for the rotor initiation are the degree of the heterogeneity, its shape and size. These results may explain the incidence of arrhythmias by local heterogeneities induced, for example, by a cardiac tissue remodeling.

18Ne Excited States Two-Proton Decay

NASA Astrophysics Data System (ADS)

de Napoli, M.; Rapisarda, E.; Raciti, G.; Cardella, G.; Amorini, F.; Giacoppo, F.; Sfienti, C.

2008-04-01

Two-proton radioactivity studies have been performed on excited states of 18Ne produced by 20Ne fragmentation at the FRS of the Laboratori Nazionali del Sud and excited via Coulomb excitation on a 209Pb target. The 18Ne levels decay has been studied by complete kinematical reconstruction. In spite of the low statistic, the energy and angular correlations of the emitted proton pairs indicate the presence of 2He emission toghether with the democratic decay.

Detection and Inspection of Steel Bars in Reinforced Concrete Structures Using Active Infrared Thermography with Microwave Excitation and Eddy Current Sensors.

PubMed

Szymanik, Barbara; Frankowski, Paweł Karol; Chady, Tomasz; John Chelliah, Cyril Robinson Azariah

2016-02-16

The purpose of this paper is to present a multi-sensor approach to the detection and inspection of steel bars in reinforced concrete structures. In connection with our past experience related to non-destructive testing of different materials, we propose using two potentially effective methods: active infrared thermography with microwave excitation and the eddy current technique. In this article active infrared thermography with microwave excitation is analyzed both by numerical modeling and experiments. This method, based on thermal imaging, due to its characteriatics should be considered as a preliminary method for the assessment of relatively shallowly located steel bar reinforcements. The eddy current technique, on the other hand, allows for more detailed evaluation and detection of deeply located rebars. In this paper a series of measurement results, together with the initial identification of certain features of steel reinforcement bars will be presented.

Response of moderately thick laminated cross-ply composite shells subjected to random excitation

NASA Technical Reports Server (NTRS)

Elishakoff, Isaak; Cederbaum, Gabriel; Librescu, Liviu

1989-01-01

This study deals with the dynamic response of transverse shear deformable laminated shells subjected to random excitation. The analysis encompasses the following problems: (1) the dynamic response of circular cylindrical shells of finite length excited by an axisymmetric uniform ring loading, stationary in time, and (2) the response of spherical and cylindrical panels subjected to stationary random loadings with uniform spatial distribution. The associated equations governing the structural theory of shells are derived upon discarding the classical Love-Kirchhoff (L-K) assumptions. In this sense, the theory is formulated in the framework of the first-order transverse shear deformation theory (FSDT).

Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY

NASA Astrophysics Data System (ADS)

Shi, Jade; Nobrega, R. Paul; Schwantes, Christian; Kathuria, Sagar V.; Bilsel, Osman; Matthews, C. Robert; Lane, T. J.; Pande, Vijay S.

2017-03-01

The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. Here, we report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structure of the excited state ensemble. This prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. Using these results, we then predict incisive single molecule FRET experiments as a means of model validation. This study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.

Nuclear Structure Studies in the 132Sn Region: Safe Coulex with Carbon Targets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allmond, James M; Stuchbery, Andrew E; Galindo-Uribarri, Alfredo

2015-01-01

The collective and single-particle structure of nuclei in the 132Sn region was recently studied by Coulomb excitation and heavy-ion induced transfer reactions using carbon, beryllium, and titanium targets. In particular, Coulomb excitation was used determine a complete set of electromagnetic moments for the first 2 + states and one-neutron transfer was used to probe the purity and evolution of single-neutron states. These recent experiments were conducted at the Holifield Radioactive Ion Beam Facility at ORNL using a CsI-HPGe detector array (BareBall- CLARION) to detect scattered particles and emitted gamma rays from the in-beam reactions. A Bragg-curve detector was used tomore » measure the energy loss of the various beams through the targets and to measure the radioactive beam compositions. A sample of the Coulomb excitation results is presented here with an emphasis placed on 116Sn. In particular, the safe Coulex criterion for carbon targets will be analyzed and discussed.« less

Wedding ring shaped excitation coil

DOEpatents

MacLennan, Donald A.; Tsai, Peter

2001-01-01

A high frequency inductively coupled electrodeless lamp includes an excitation coil with an effective electrical length which is less than one half wavelength of a driving frequency applied thereto, preferably much less. The driving frequency may be greater than 100 MHz and is preferably as high as 915 MHz. Preferably, the excitation coil is configured as a non-helical, semi-cylindrical conductive surface having less than one turn, in the general shape of a wedding ring. At high frequencies, the current in the coil forms two loops which are spaced apart and parallel to each other. Configured appropriately, the coil approximates a Helmholtz configuration. The lamp preferably utilizes an bulb encased in a reflective ceramic cup with a pre-formed aperture defined therethrough. The ceramic cup may include structural features to aid in alignment and/or a flanged face to aid in thermal management. The lamp head is preferably an integrated lamp head comprising a metal matrix composite surrounding an insulating ceramic with the excitation integrally formed on the ceramic. A novel solid-state oscillator preferably provides RF power to the lamp. The oscillator is a single active element device capable of providing over 70 watts of power at over 70% efficiency.

First-Principles Studies of the Excited States and Optical Properties of Xanthene Derivative Chromophores

NASA Astrophysics Data System (ADS)

Hamed, Samia; Sharifzadeh, Sahar; Neaton, Jeffrey

2014-03-01

Elucidation of the energy transfer mechanism in natural photosynthetic systems remains an exciting challenge. In particular, biomimetic protein-pigment complexes provide a unique study space in which individual parameters are adjusted and the impact of those changes captured. Here, we compute the excited state properties of a group of xanthene-derivative chromophores to be employed in the construction of new biomimetic light harvesting frameworks. Excitation energies, transition dipoles, and natural transition orbitals for the low-lying singlet and triplet states of these experimentally-relevant chromophores are obtained from first-principles density functional theory. The performance of several exchange-correlation functionals, including an optimally-tuned range-separated hybrid, are evaluated and compared with many body perturbation theory and experiment. Finally, we will discuss the implication of our results for the bottom-up design of new chromophores. This work is supported by the DOE and computational resources are provided by NERSC.

Computational and experimental studies of microvascular void features for passive-adaptation of structural panel dynamic properties

NASA Astrophysics Data System (ADS)

Sears, Nicholas C.; Harne, Ryan L.

2018-01-01

The performance, integrity, and safety of built-up structural systems are critical to their effective employment in diverse engineering applications. In conflict with these goals, harmonic or random excitations of structural panels may promote large amplitude oscillations that are particularly harmful when excitation energies are concentrated around natural frequencies. This contributes to fatigue concerns, performance degradation, and failure. While studies have considered active or passive damping treatments that adapt material characteristics and configurations for structural control, it remains to be understood how vibration properties of structural panels may be tailored via internal material transitions. Motivated to fill this knowledge gap, this research explores an idea of adapting the static and dynamic material distribution of panels through embedded microvascular channels and strategically placed voids that permit the internal movement of fluids within the panels for structural dynamic control. Finite element model and experimental investigations probe how redistributing material in the form of microscale voids influences the global vibration modes and natural frequencies of structural panels. Through parameter studies, the relationships among void shape, number, size, and location are quantified towards their contribution to the changing structural dynamics. For the panel composition and boundary conditions considered in this report, the findings reveal that transferring material between strategically placed voids may result in eigenfrequency changes as great as 10.0, 5.0, and 7.4% for the first, second, and third modes, respectively.

Induced structural defects in Ti-doped ZnO and its two-photon-excitation

NASA Astrophysics Data System (ADS)

Martínez Julca, Milton A.; Rivera, Ivonnemary; Santillan Mercado, Jaime; Sierra, Heidy; Perales-Pérez, Oscar

2016-03-01

ZnO is a well-known luminescent material that reacts with light to generate free radicals enabling its use in cancer treatment by Photodynamic Therapy (PDT). Unfortunately, up to know, the photo-excitation of ZnO-based materials' requires excitation with ultraviolet light, which limits their biomedical applications. In this regard, this work investigates the effect of Ti species incorporation into the lattice of ZnO nanoparticles (NPs) with the aim of improving the corresponding optical properties and enabling the two-photoexcitation with 690nm-light (near infrared light). A modified polyol-based route was used to synthesize pure and Ti-doped (9% at.) ZnO NPs. X-ray diffraction confirmed the formation of ZnO-wurtzite whereas Scanning Electron Microscopy confirmed the formation of monodispersed 100-nm NPs. Raman Spectroscopy measurements evidenced the presence of zinc interstitials (Zni) and oxygen vacancies (VO) in the host oxide strcuture. Asynthesized NPs were excited using the technique of two-photon fluorescence microscopy (TPFM). The photoluminescence (PL) spectra generated from the analysis of TPFM images revealed a high emission peak presence in the green region (555 nm) that was assigned to VO. Also, a weak but noticeable band at 420 nm was detected, which is attributed to electron transition from the shallow donor level of Zni to the valence band. These PL transitions will favor triplet states formation necessary to yield cytotoxic reactive oxygen species. Furthermore, the presence of the PL peaks confirmed the Ti-ZnO NPs capacity to be excited by 690-nm light, thus, opening new possibilities for this NPs to be used in lightinduced bio-medical applications.

Vector Sum Excited Linear Prediction (VSELP) speech coding at 4.8 kbps

NASA Technical Reports Server (NTRS)

Gerson, Ira A.; Jasiuk, Mark A.

1990-01-01

Code Excited Linear Prediction (CELP) speech coders exhibit good performance at data rates as low as 4800 bps. The major drawback to CELP type coders is their larger computational requirements. The Vector Sum Excited Linear Prediction (VSELP) speech coder utilizes a codebook with a structure which allows for a very efficient search procedure. Other advantages of the VSELP codebook structure is discussed and a detailed description of a 4.8 kbps VSELP coder is given. This coder is an improved version of the VSELP algorithm, which finished first in the NSA's evaluation of the 4.8 kbps speech coders. The coder uses a subsample resolution single tap long term predictor, a single VSELP excitation codebook, a novel gain quantizer which is robust to channel errors, and a new adaptive pre/postfilter arrangement.

Two-color temporal focusing multiphoton excitation imaging with tunable-wavelength excitation

NASA Astrophysics Data System (ADS)

Lien, Chi-Hsiang; Abrigo, Gerald; Chen, Pei-Hsuan; Chien, Fan-Ching

2017-02-01

Wavelength tunable temporal focusing multiphoton excitation microscopy (TFMPEM) is conducted to visualize optical sectioning images of multiple fluorophore-labeled specimens through the optimal two-photon excitation (TPE) of each type of fluorophore. The tunable range of excitation wavelength was determined by the groove density of the grating, the diffraction angle, the focal length of lenses, and the shifting distance of the first lens in the beam expander. Based on a consideration of the trade-off between the tunable-wavelength range and axial resolution of temporal focusing multiphoton excitation imaging, the presented system demonstrated a tunable-wavelength range from 770 to 920 nm using a diffraction grating with groove density of 830 lines/mm. TPE fluorescence imaging examination of a fluorescent thin film indicated that the width of the axial confined excitation was 3.0±0.7 μm and the shifting distance of the temporal focal plane was less than 0.95 μm within the presented wavelength tunable range. Fast different wavelength excitation and three-dimensionally rendered imaging of Hela cell mitochondria and cytoskeletons and mouse muscle fibers were demonstrated. Significantly, the proposed system can improve the quality of two-color TFMPEM images through different excitation wavelengths to obtain higher-quality fluorescent signals in multiple-fluorophore measurements.

Excited states in polydiacetylene chains: A density matrix renormalization group study

NASA Astrophysics Data System (ADS)

Barcza, Gergely; Barford, William; Gebhard, Florian; Legeza, Örs

2013-06-01

We study theoretically polydiacetylene chains diluted in their monomer matrix. We employ the density matrix renormalization group method on finite chains to calculate the ground state and low-lying excitations of the corresponding Peierls-Hubbard-Ohno Hamiltonian which is characterized by the electron transfer amplitude t0 between nearest neighbors, by the electron-phonon coupling constant α, by the Hubbard interaction U, and by the long-range interaction V. We treat the lattice relaxation in the adiabatic limit, i.e., we calculate the polaronic lattice distortions for each excited state. Using chains with up to 102 lattice sites, we can safely perform the extrapolation to the thermodynamic limit for the ground-state energy and conformation, the single-particle gap, and the energies of the singlet exciton, the triplet ground state, and the optical excitation of the triplet ground state. The corresponding gaps are known with high precision from experiments. We determine a coherent parameter set (t0*=2.4eV,α*=3.4eV/Å,U*=6eV,V*=3eV) from a fit of the experimental gap energies to the theoretical values which we obtain for 81 parameter points in the four-dimensional search space (t0,α,U,V). We identify dark in-gap states in the singlet and triplet sectors as seen in experiments. Using a fairly stiff spring constant, the length of our unit cell is about 1% larger than its experimental value.

Searching for a 4 α linear-chain structure in excited states of 16O with covariant density functional theory

NASA Astrophysics Data System (ADS)

Yao, J. M.; Itagaki, N.; Meng, J.

2014-11-01

A study of the 4 α linear-chain structure in high-lying collective excitation states of 16O with covariant density functional theory is presented. The low-spin states are obtained by configuration mixing of particle-number and angular-momentum projected quadrupole deformed mean-field states with the generator coordinate method. The high-spin states are determined by cranking calculations. These two calculations are based on the same energy density functional PC-PK1. We have found a rotational band at low spin with the dominant intrinsic configuration considered to be the one whereby 4 α clusters stay along a common axis. The strongly deformed rod shape also appears in the high-spin region with the angular momentum 13 ℏ to18 ℏ ; however, whether the state is a pure 4 α linear chain is less obvious than for the low-spin states.

Photoacoustic simulation study of chirp excitation response from different size absorbers

NASA Astrophysics Data System (ADS)

Jnawali, K.; Chinni, B.; Dogra, V.; Rao, N.

2017-03-01

Photoacoustic (PA) imaging is a hybrid imaging modality that integrates the strength of optical and ultrasound imaging. Nanosecond (ns) pulsed lasers used in current PA imaging systems are expensive, bulky and they often waste energy. We propose and evaluate, through simulations, the use of a continuous wave (CW) laser whose amplitude is linear frequency modulated (chirp) for PA imaging. The chirp signal provides signal-to-side-lobe ratio (SSR) improvement potential and full control over PA signal frequencies excited in the sample. The PA signal spectrum is a function of absorber size and the time frequencies present in the chirp. A mismatch between the input chirp spectrum and the output PA signal spectrum can affect the compressed pulse that is recovered from cross-correlating the two. We have quantitatively characterized this effect. The k-wave Matlab tool box was used to simulate PA signals in three dimensions for absorbers ranging in size from 0.1 mm to 0.6 mm, in response to laser excitation amplitude that is linearly swept from 0.5 MHz to 4 MHz. This sweep frequency range was chosen based on the spectrum analysis of a PA signal generated from ex-vivo human prostate tissue samples. In comparison, the energy wastage by a ns laser pulse was also estimated. For the chirp methodology, the compressed pulse peak amplitude, pulse width and side lobe structure parameters were extracted for different size absorbers. While the SSR increased 6 fold with absorber size, the pulse width decreased by 25%.

Interstellar polycyclic aromatic hydrocarbons - The infrared emission bands, the excitation/emission mechanism, and the astrophysical implications

NASA Technical Reports Server (NTRS)

Allamandola, L. J.; Tielens, G. G. M.; Barker, J. R.

1989-01-01

A comprehensive study of the PAH hypothesis is presented, including the interstellar, IR spectral features which have been attributed to emission from highly vibrationally excited PAHs. Spectroscopic and IR emission features are discussed in detail. A method for calculating the IR fluorescence spectrum from a vibrationally excited molecule is described. Analysis of interstellar spectrum suggests that the PAHs which dominate the IR spectra contain between 20 and 40 C atoms. The results are compared with results from a thermal approximation. It is found that, for high levels of vibrational excitation and emission from low-frequency modes, the two methods produce similar results. Also, consideration is given to the relationship between PAH molecules and amorphous C particles, the most likely interstellar PAH molecular structures, the spectroscopic structure produced by PAHs and PAH-related materials in the UV portion of the interstellar extinction curve, and the influence of PAH charge on the UV, visible, and IR regions.

Prolonged deficits in parvalbumin neuron stimulation-evoked network activity despite recovery of dendritic structure and excitability in the somatosensory cortex following global ischemia in mice.

PubMed

Xie, Yicheng; Chen, Shangbin; Wu, Yujin; Murphy, Timothy H

2014-11-05

Relatively few studies have examined plasticity of inhibitory neuronal networks following stroke in vivo, primarily due to the inability to selectively monitor inhibition. We assessed the structure of parvalbumin (PV) interneurons during a 5 min period of global ischemia and reperfusion in mice, which mimicked cerebral ischemia during cardiac arrest or forms of transient ischemic attack. The dendritic structure of PV-neurons in cortical superficial layers was rapidly swollen and beaded during global ischemia, but recovered within 5-10 min following reperfusion. Using optogenetics and a multichannel optrode, we investigated the function of PV-neurons in mouse forelimb somatosensory cortex. We demonstrated pharmacologically that PV-channelrhodopsin-2 (ChR2) stimulation evoked activation in layer IV/V, which resulted in rapid current sinks mediated by photocurrent and action potentials (a measure of PV-neuron excitability), which was then followed by current sources mediated by network GABAergic synaptic activity. During ischemic depolarization, the PV-ChR2-evoked current sinks (excitability) were suppressed, but recovered rapidly following reperfusion concurrent with repolarization of the DC-EEG. In contrast, the current sources reflecting GABAergic synaptic network activity recovered slowly and incompletely, and was coincident with the partial recovery of the forepaw stimulation-evoked current sinks in layer IV/V 30 min post reperfusion. Our in vivo data suggest that the excitability of PV inhibitory neurons was suppressed during global ischemia and rapidly recovered during reperfusion. In contrast, PV-ChR2 stimulation-evoked GABAergic synaptic network activity exhibited a prolonged suppression even ∼1 h after reperfusion, which could contribute to the dysfunction of sensation and cognition following transient global ischemia. Copyright © 2014 the authors 0270-6474/14/3414890-12$15.00/0.

The Response of a Mechanical Oscillator Due to Swept and Dithered Excitation

NASA Technical Reports Server (NTRS)

Davis, R. Benjamin; Durham, R. Caitlyn; Brown, Andrew M.

2010-01-01

A single degree-of-freedom oscillator subject to linearly swept and/or dithered excitation is considered. Dither refers to the variation of an excitation frequency about a given nominal, or primary, frequency. Dither in rocket engine turbopump shaft speeds can be an important consideration when analyzing the dynamic response of turbomachinery components such as turbine blades. Results indicate that the incorporation of dithered excitation into a fatigue analysis may extend the predicted fatigue life of the structure by a factor of two or more.

Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study.

PubMed

Guo, Xugeng; Yuan, Huijuan; An, Beibei; Zhu, Qiuling; Zhang, Jinglai

2016-04-21

Photoinduced ultrafast non-adiabatic decay of 9-methylhypoxanthine (9MHPX) in aqueous solution was investigated by ab initio surface-hopping dynamics calculations using a combined quantum mechanical/molecular mechanical approach. The absorption spectra of 9MHPX in aqueous solution were also explored by the hybrid cluster-continuum model at the level of time-dependent density functional theory along with the polarizable continuum model (PCM). The static electronic-structure calculations indicate that the absorption spectra of 9MHPX simulated by TD-B3LYP/PCM and TD-X3LYP/PCM can reproduce very well the experimental findings, with the accuracy of about 0.20 eV. According to dynamics simulations, irradiation of 9MHPX populates the bright excited singlet S1 state, which may undergo an ultrafast non-radiative deactivation to the S0 state. The lifetime of the S1 state of 9MHPX in aqueous solution is predicted to be 115.6 fs, slightly longer than that in the gas phase (88.8 fs), suggesting that the solventwater has no significant influence on the excited-state lifetime of 9MHPX. Such a behavior in 9MHPX is distinctly different from its parent hypoxanthine keto-N9H tautomer in which the excited-state lifetime of the latter in watersolution was remarkably enhanced as compared to the gas phase. The significant difference of the photodynamical behaviors between 9MHPX and keto-N9H can be ascribed to their different hydrogen bond environment in aqueous solution.

Alteration of human serum albumin tertiary structure induced by glycation. Spectroscopic study

NASA Astrophysics Data System (ADS)

Szkudlarek, A.; Maciążek-Jurczyk, M.; Chudzik, M.; Równicka-Zubik, J.; Sułkowska, A.

2016-01-01

The modification of human serum albumin (HSA) structure by non-enzymatic glycation is one of the underlying factors that contribute to the development of complications of diabetes and neurodegenerative diseases. The aim of the present work was to estimate how glycation of HSA altered its tertiary structure. Changes of albumin conformation were investigated by comparison of glycated (gHSA) and non-glycated human serum albumin (HSA) absorption spectra, red edge excitation shift (REES) and synchronous spectra. Effect of glycation on human serum albumin tertiary structure was also investigated by 1H NMR spectroscopy. Formation of gHSA Advanced Glycation End-products (AGEs) caused absorption of UV-VIS light between 310 nm and 400 nm while for non-glycated HSA in this region no absorbance has been registered. Analysis of red edge excitation shift effect allowed for observation of structural changes of gHSA in the hydrophobic pocket containing the tryptophanyl residue. Moreover changes in the microenvironment of tryptophanyl and tyrosyl residues brought about AGEs on the basis of synchronous fluorescence spectroscopy have been confirmed. The influence of glycation process on serum albumin binding to 5-dimethylaminonaphthalene-1-sulfonamide (DNSA), 2-(p-toluidino) naphthalene-6-sulfonic acid (TNS), has been studied. Fluorescence analysis showed that environment of both binding site I and II is modified by galactose glycation.

Excitation Anisotropy in Laser-Induced-Fluorescence Spectroscopy —High-Intensity, Broad-Line Excitation

NASA Astrophysics Data System (ADS)

Hirabayashi, Atsumu; Nambu, Yoshihiro; Fujimoto, Takashi

1986-10-01

The problem of excitation anisotropy in laser-induced-fluorescence spectroscopy (LIFS) was investigated for the intense excitation case under the broad-line condition. The depolarization coefficient for the fluorescence light was derived in the intense-excitation limit (linearly-polarized or unpolarized light excitation) and the results are presented in tables. In the region of intermediate intensity, between the weak and intense-excitation limits, the master equation was solved for a specific example of atomic transitions and its result is compared with experimental results.

Transient Melting and Recrystallization of Semiconductor Nanocrystals Under Multiple Electron-Hole Pair Excitation.

PubMed

Kirschner, Matthew S; Hannah, Daniel C; Diroll, Benjamin T; Zhang, Xiaoyi; Wagner, Michael J; Hayes, Dugan; Chang, Angela Y; Rowland, Clare E; Lethiec, Clotilde M; Schatz, George C; Chen, Lin X; Schaller, Richard D

2017-09-13

Ultrafast optical pump, X-ray diffraction probe experiments were performed on CdSe nanocrystal (NC) colloidal dispersions as functions of particle size, polytype, and pump fluence. Bragg peak shifts related to heating and peak amplitude reduction associated with lattice disordering are observed. For smaller NCs, melting initiates upon absorption of as few as ∼15 electron-hole pair excitations per NC on average (0.89 excitations/nm 3 for a 1.5 nm radius) with roughly the same excitation density inducing melting for all examined NCs. Diffraction intensity recovery kinetics, attributable to recrystallization, occur over hundreds of picoseconds with slower recoveries for larger particles. Zincblende and wurtzite NCs revert to initial structures following intense photoexcitation suggesting melting occurs primarily at the surface, as supported by simulations. Electronic structure calculations relate significant band gap narrowing with decreased crystallinity. These findings reflect the need to consider the physical stability of nanomaterials and related electronic impacts in high intensity excitation applications such as lasing and solid-state lighting.

Dynamics of Topological Excitations in a Model Quantum Spin Ice

NASA Astrophysics Data System (ADS)

Huang, Chun-Jiong; Deng, Youjin; Wan, Yuan; Meng, Zi Yang

2018-04-01

We study the quantum spin dynamics of a frustrated X X Z model on a pyrochlore lattice by using large-scale quantum Monte Carlo simulation and stochastic analytic continuation. In the low-temperature quantum spin ice regime, we observe signatures of coherent photon and spinon excitations in the dynamic spin structure factor. As the temperature rises to the classical spin ice regime, the photon disappears from the dynamic spin structure factor, whereas the dynamics of the spinon remain coherent in a broad temperature window. Our results provide experimentally relevant, quantitative information for the ongoing pursuit of quantum spin ice materials.

A Patch Density Recommendation based on Convergence Studies for Vehicle Panel Vibration Response resulting from Excitation by a Diffuse Acoustic Field

NASA Technical Reports Server (NTRS)

Smith, Andrew; LaVerde, Bruce; Jones, Douglas; Towner, Robert; Hunt, Ron

2013-01-01

Fluid structural interaction problems that estimate panel vibration from an applied pressure field excitation are quite dependent on the spatial correlation of the pressure field. There is a danger of either over estimating a low frequency response or under predicting broad band panel response in the more modally dense bands if the pressure field spatial correlation is not accounted for adequately. Even when the analyst elects to use a fitted function for the spatial correlation an error may be introduced if the choice of patch density is not fine enough to represent the more continuous spatial correlation function throughout the intended frequency range of interest. Both qualitative and quantitative illustrations evaluating the adequacy of different patch density assumptions to approximate the fitted spatial correlation function are provided. The actual response of a typical vehicle panel system is then evaluated in a convergence study where the patch density assumptions are varied over the same finite element model. The convergence study results are presented illustrating the impact resulting from a poor choice of patch density. The fitted correlation function used in this study represents a Diffuse Acoustic Field (DAF) excitation of the panel to produce vibration response.

Derivation and experimental validation of an analytical criterion for the identification of self-excited modes in drilling systems

NASA Astrophysics Data System (ADS)

Hohl, Andreas; Tergeist, Mathias; Oueslati, Hatem; Jain, Jayesh R.; Herbig, Christian; Ostermeyer, Georg-Peter; Reckmann, Hanno

2015-04-01

Drilling system applications are subject to torsional vibrations that are induced by self-excitation mechanisms. A common mechanism is a falling characteristic of contact or cutting forces with respect to the relative velocity between the bit and the formation. To mitigate the effects of this mechanism, it is important to identify modes that are the most likely to be excited. However, in complex structures the identification of critical mode shapes is no trivial task. This paper discusses a criterion derived to identify critical torsional modes in drilling systems that are prone to self-excitation. Basic assumptions are a falling (velocity-weakening) characteristic of the contact forces and only one contributing mode. Multiple contact forces along the structure can be considered with different contact characteristics. Contributing parameters are angular eigenfrequency, deflection of the mode shape at the contact points, modal damping of the examined mode, and the slope of the characteristic of the contact forces at the operating point. In a case study of a drilling system the derived criterion is tested. The case study focuses on torsional vibrations excited by cutting forces observed in field measurements with high amplitudes and accelerations. The corresponding modes are localized to the so-called bottomhole assembly (BHA) at the end of the drilling system. Numerical results from a finite element analysis are compared to downhole measurements to verify the critical modes that are identified with the criterion. In addition, mass and stiffness changes along the structure are intentionally induced to beneficially influence mode shapes. Results indicate that reducing the mode shape at the source of vibration (bit) decreases the excitability of this mode shape.

Calculations of Excitation Functions of Some Structural Fusion Materials for ( n, t) Reactions up to 50 MeV Energy

NASA Astrophysics Data System (ADS)

Tel, E.; Durgu, C.; Aktı, N. N.; Okuducu, Ş.

2010-06-01

Fusion serves an inexhaustible energy for humankind. Although there have been significant research and development studies on the inertial and magnetic fusion reactor technology, there is still a long way to go to penetrate commercial fusion reactors to the energy market. Tritium self-sufficiency must be maintained for a commercial power plant. For self-sustaining (D-T) fusion driver tritium breeding ratio should be greater than 1.05. So, the working out the systematics of ( n, t) reaction cross sections is of great importance for the definition of the excitation function character for the given reaction taking place on various nuclei at different energies. In this study, ( n, t) reactions for some structural fusion materials such as 27Al, 51V, 52Cr, 55Mn, and 56Fe have been investigated. The new calculations on the excitation functions of 27Al( n, t)25Mg, 51V( n, t)49Ti, 52Cr( n, t)50V, 55Mn( n, t)53Cr and 56Fe( n, t)54Mn reactions have been carried out up to 50 MeV incident neutron energy. In these calculations, the pre-equilibrium and equilibrium effects have been investigated. The pre-equilibrium calculations involve the new evaluated the geometry dependent hybrid model, hybrid model and the cascade exciton model. Equilibrium effects are calculated according to the Weisskopf-Ewing model. Also in the present work, we have calculated ( n, t) reaction cross-sections by using new evaluated semi-empirical formulas developed by Tel et al. at 14-15 MeV energy. The calculated results are discussed and compared with the experimental data taken from the literature.

Structure Effect of Squarylium Cyanine Dyes on Third-Order Optical Nonlinearities in Ground and Excited States

NASA Astrophysics Data System (ADS)

Liu, Xu-chun; Xu, Gang; Si, Jin-hai; Ye, Pei-xian; Lin, Tong; Peng, Bi-xian

1999-08-01

A series of squarylium cyanine dyes with different substituents were synthesized and the third-order optical nonlinearities of their ground and excited states were investigated by backward degenerate four-wave-mixing. For the ground state, the molecular hyperpolarizability γg increases with the red-shift of the absorption peak λmaxab of the squaraine with different substituents, whereas for the excited-state molecular hyperpolarizability γe, the nonlinear enhancement γe/γg decreases, which may indicate that in the excited state the electron accepting-donating ability of different substituents changes in the reverse order compared with the order in the ground state.

Study of crystal-field excitations and infrared active phonons in TbMnO3

NASA Astrophysics Data System (ADS)

Mansouri, S.; Jandl, S.; Balli, M.; Fournier, P.; Mukhin, A. A.; Ivanov, V. Yu; Balbashov, A.; Orlita, M.

2018-05-01

The Tb3+ (4f 8) crystal-field (CF) excitations and the infrared phonons in TbMnO3 are studied as a function of temperature and under an applied magnetic field. The phonon energy shifts reflect local displacement of the oxygen ions that contribute to the CF energy level shifts below 120 K and under magnetic field. The CF polarized transmission spectra provide interesting information about the debated nature of the excitations at 41, 65, 130 cm‑1. We also evaluate the contribution of the charge transfer mechanism to the magnetoelectric process in TbMnO3 under magnetic field.

Interfacing ion-exchanged waveguide for the efficient excitation of surface plasmons (Presentation Recording)

NASA Astrophysics Data System (ADS)

Beltran Madrigal, Josslyn; Berthel, Martin; Gardillou, Florent; Tellez Limon, Ricardo; Couteau, Christophe; Barbier, Denis; Drezet, Aurelien; Salas-Montiel, Rafael; Huant, Serge; Blaize, Sylvain

2015-09-01

Several works have already shown that the excitation of plasmonic structures through waveguides enables a strong light confinement and low propagation losses [1]. This kind of excitation is currently exploited in areas such as biosensing [2], nanocircuits[3] and spectroscopy[4]. Efficient excitation of surface plasmon modes (SPP) with guided modes supported by high-index-contrast waveguides, such as silicon-on-insulator waveguides, had already been shown [1,5], however, the use of weak-confined guided modes of an ion exchanged waveguide on glass as a source of excitation of SPP represents a scientific and technological breakthrough. This is because the integration of plasmonic structures into low-index-contrast waveguide increases the bandwidth of operation and compatibility with conventional optical fibers. In this work, we describe how an adiabatic tapered coupler formed by an intermediate high-index-contrast layer placed between a plasmonic structure and an ion-exchanged waveguide decreases the mismatch between effective indices, size, and shape of the guided modes. This hybrid structure concentrates the electromagnetic energy from the micrometer to the nanometer scale with low coupling losses to radiative modes. The electromagnetic mode confined to the high-index-contrast waveguide then works as an efficient source of SPP supported by metallic nanostructures placed on its surface. We theoretically studied the modal properties and field distribution along the adiabatic coupler structure. In addition, we fabricated a high-index-contrast waveguide by electron beam lithography and thermal evaporation on top of an ion-exchanged waveguide on glass. This structure was characterized with the use of near field scanning optical microscopy (NSOM). Numerical simulations were compared with the experimental results. [1] N. Djaker, R. Hostein, E. Devaux, T. W. Ebbesen, and H. Rigneault, and J. Wenger, J. Phys. Chem. C 114, 16250 (2010). [2] P. Debackere, S. Scheerlinck, P

Spectroscopic and structural investigation for the ground and excited states of CaNa+ molecular ion

NASA Astrophysics Data System (ADS)

Jellali, Soulef; Habli, Héla; Mejrissi, Leila; Hamdi, Rafika; Oujia, Brahim; Xavier Gadéa, Florent

2018-04-01

In the current theoretical study, we investigated several electronic states correlated with the {Ca+Na+} and {Ca++Na} asymptotic limits of different symmetries (Σ+, Π, Δ). Our calculations were based on ab intio method using semi-empirical pseudo-potential theory of both cores Na+ and Ca2+ and Full Configuration Interaction (FCI). Hence, we computed the adiabatic potential energy curves (PECs) and vibrational levels of the ground state along with several higher states of (CaNa)+ molecular ion. From these curves, we extracted all related spectroscopic parameters (De, D0, Te, Re, Be, ωe and ωeχe). Dipolar properties of (CaNa)+ such as Permanent and Transition Dipole Moments (PDM, TDM) were determined and analyzed. Numerous Avoided Crossings (ACs) were detected in PECs and their reflections were clearly observed in PDM and TDM functions. The strong interactions could lead to significant charge or excitation transfer for atom-ion collisions in the diverse charge or excited states.

Detection and Inspection of Steel Bars in Reinforced Concrete Structures Using Active Infrared Thermography with Microwave Excitation and Eddy Current Sensors

PubMed Central

Szymanik, Barbara; Frankowski, Paweł Karol; Chady, Tomasz; John Chelliah, Cyril Robinson Azariah

2016-01-01

The purpose of this paper is to present a multi-sensor approach to the detection and inspection of steel bars in reinforced concrete structures. In connection with our past experience related to non-destructive testing of different materials, we propose using two potentially effective methods: active infrared thermography with microwave excitation and the eddy current technique. In this article active infrared thermography with microwave excitation is analyzed both by numerical modeling and experiments. This method, based on thermal imaging, due to its characteriatics should be considered as a preliminary method for the assessment of relatively shallowly located steel bar reinforcements. The eddy current technique, on the other hand, allows for more detailed evaluation and detection of deeply located rebars. In this paper a series of measurement results, together with the initial identification of certain features of steel reinforcement bars will be presented. PMID:26891305

Comment on de-averaged back-angle heavy-ion elastic scattering excitation functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hussein, M.S.; Canto, L.F.; Donangelo, R.

1984-06-01

It is suggested that the de-averaged 180/sup 0/ excitation function of /sup 16/O+ /sup 28/Si, recently considered by Frahn and Kaufmann, is strongly model dependent. Within a multistep ..cap alpha..-transfer description of the back-angle anomaly, we obtain a de-averaged 180/sup 0/ excitation function that exhibits a more regular gross structure.

Impact self-excited vibrations of linear motor

NASA Astrophysics Data System (ADS)

Zhuravlev, V. Ph.

2010-08-01

Impact self-exciting vibration modes in a linear motor of a monorail car are studied. Existence and stability conditions of self-exciting vibrations are found. Ways of avoiding the vibrations are discussed.

Effects of lacosamide and carbamazepine on human motor cortex excitability: a double-blind, placebo-controlled transcranial magnetic stimulation study.

PubMed

Lang, Nicolas; Rothkegel, Holger; Peckolt, Hannes; Deuschl, Günther

2013-11-01

Lacosamide (LCM) and carbamazepine (CBZ) are antiepileptic drugs both acting on neuronal voltage-gated sodium channels. Patch-clamp studies demonstrated significant differences in how LCM and CBZ affect neuronal membrane excitability. Despite valuable information patch-clamp studies provide, they also comprise some constraints. For example, little is known about effects of LCM on intracortical synaptic excitability. In contrast, transcranial magnetic stimulation (TMS) can describe drug-induced changes at the system level of the human cerebral cortex. The present study was designed to explore dose-depended effects of LCM and effects of CBZ on motor cortex excitability with TMS in a randomized, double-blind, placebo-controlled crossover trial in healthy human subjects. Subjects received 600 mg CBZ, 200 mg LCM, 400 mg LCM or placebo preceding TMS measurements. Compared to placebo, TMS motor thresholds were significantly increased after carbamazepine and lacosamide, with a trend for a dose dependent effect of lacosamide. Both, carbamazepine and lacosamide did not affect TMS parameters of intracortical synaptic excitability. TMS measurements suggest that lacosamide and carbamazepine predominantly act on neuronal membrane excitability. Copyright © 2013 British Epilepsy Association. Published by Elsevier Ltd. All rights reserved.

Experimental and simulated study of a composite structure metamaterial absorber

NASA Astrophysics Data System (ADS)

Li, Shengyong; Ai, Xiaochuan; Wu, Ronghua; Chen, Jiajun

2017-11-01

In this paper, a high performance metamaterial absorber is designed and experimental studied. Measured results indicate that a perfect absorption band and a short-wavelength absorption peak are achieved in the near-infrared spectrum. Current strength distributions reveal that the absorption band is excited by the cavity resonance. And electric field distributions show that the short-wavelength absorption peak is excited by the horizontal coupled of localized surface plasmon (LSP) modes near hole edges. On the one hand, the absorption property of the measured metamaterial absorber can be enhanced through optimizing the structural parameters (a, w, and H). On the other hand, the absorption property is sensitive to the change of refractive index of environmental medias. A sensing scheme is proposed for refractive index detecting based on the figure of merit (FOM) value. Measured results indicate that the proposed sensing scheme can achieve high FOM value with different environmental medias (water, glucose solution).

Two-dimensional Fano lineshapes: Excited-state absorption contributions

NASA Astrophysics Data System (ADS)

Finkelstein-Shapiro, Daniel; Pullerits, Tõnu; Hansen, Thorsten

2018-05-01

Fano interferences in nanostructures are influenced by dissipation effects as well as many-body interactions. Two-dimensional coherent spectroscopies have just begun to be applied to these systems where the spectroscopic signatures of a discrete-continuum structure are not known. In this article, we calculate the excited-state absorption contribution for different models of higher lying excited states. We find that the characteristic asymmetry of one-dimensional spectroscopies is recovered from the many-body contributions and that the higher lying excited manifolds have distorted lineshapes that are not anticipated from discrete-level Hamiltonians. We show that the Stimulated Emission cannot have contributions from a flat continuum of states. This work completes the Ground-State Bleach and Stimulated Emission signals that were calculated previously [D. Finkelstein-Shapiro et al., Phys. Rev. B 94, 205137 (2016)]. The model reproduces the observations reported for molecules on surfaces probed by 2DIR.

Two-dimensional Fano lineshapes: Excited-state absorption contributions.

PubMed

Finkelstein-Shapiro, Daniel; Pullerits, Tõnu; Hansen, Thorsten

2018-05-14

Fano interferences in nanostructures are influenced by dissipation effects as well as many-body interactions. Two-dimensional coherent spectroscopies have just begun to be applied to these systems where the spectroscopic signatures of a discrete-continuum structure are not known. In this article, we calculate the excited-state absorption contribution for different models of higher lying excited states. We find that the characteristic asymmetry of one-dimensional spectroscopies is recovered from the many-body contributions and that the higher lying excited manifolds have distorted lineshapes that are not anticipated from discrete-level Hamiltonians. We show that the Stimulated Emission cannot have contributions from a flat continuum of states. This work completes the Ground-State Bleach and Stimulated Emission signals that were calculated previously [D. Finkelstein-Shapiro et al., Phys. Rev. B 94, 205137 (2016)]. The model reproduces the observations reported for molecules on surfaces probed by 2DIR.

Repetitive Transcranial Direct Current Stimulation Induced Excitability Changes of Primary Visual Cortex and Visual Learning Effects-A Pilot Study.

PubMed

Sczesny-Kaiser, Matthias; Beckhaus, Katharina; Dinse, Hubert R; Schwenkreis, Peter; Tegenthoff, Martin; Höffken, Oliver

2016-01-01

Studies on noninvasive motor cortex stimulation and motor learning demonstrated cortical excitability as a marker for a learning effect. Transcranial direct current stimulation (tDCS) is a non-invasive tool to modulate cortical excitability. It is as yet unknown how tDCS-induced excitability changes and perceptual learning in visual cortex correlate. Our study aimed to examine the influence of tDCS on visual perceptual learning in healthy humans. Additionally, we measured excitability in primary visual cortex (V1). We hypothesized that anodal tDCS would improve and cathodal tDCS would have minor or no effects on visual learning. Anodal, cathodal or sham tDCS were applied over V1 in a randomized, double-blinded design over four consecutive days (n = 30). During 20 min of tDCS, subjects had to learn a visual orientation-discrimination task (ODT). Excitability parameters were measured by analyzing paired-stimulation behavior of visual-evoked potentials (ps-VEP) and by measuring phosphene thresholds (PTs) before and after the stimulation period of 4 days. Compared with sham-tDCS, anodal tDCS led to an improvement of visual discrimination learning (p < 0.003). We found reduced PTs and increased ps-VEP ratios indicating increased cortical excitability after anodal tDCS (PT: p = 0.002, ps-VEP: p = 0.003). Correlation analysis within the anodal tDCS group revealed no significant correlation between PTs and learning effect. For cathodal tDCS, no significant effects on learning or on excitability could be seen. Our results showed that anodal tDCS over V1 resulted in improved visual perceptual learning and increased cortical excitability. tDCS is a promising tool to alter V1 excitability and, hence, perceptual visual learning.

Role of electronic excitation in the amorphization of Ge-Sb-Te alloys.

PubMed

Li, Xian-Bin; Liu, X Q; Liu, Xin; Han, Dong; Zhang, Z; Han, X D; Sun, Hong-Bo; Zhang, S B

2011-07-01

First-principles molecular dynamics simulation reveals the effects of electronic excitation in the amorphization of Ge-Sb-Te. The excitation makes the phase change an element-selective process, lowers the critical amorphization temperature considerably, for example, to below 700 K at a 9% excitation, and reduces the atomic diffusion coefficient with respect to that of melt by at least 1 order of magnitude. Noticeably, the resulting structure has fewer wrong bonds and significantly increased phase-change reversibility. Our results point to a new direction in manipulating ultrafast phase-change processes with improved controllability.

Polymethine and squarylium molecules with large excited-state absorption

NASA Astrophysics Data System (ADS)

Lim, Jin Hong; Przhonska, Olga V.; Khodja, Salah; Yang, Sidney; Ross, T. S.; Hagan, David J.; Van Stryland, Eric W.; Bondar, Mikhail V.; Slominsky, Yuriy L.

1999-07-01

We study nonlinear absorption in a series of ten polymethine dyes and two squarylium dyes using Z-scan, pump-probe and optical limiting experiments. Both picosecond and nanosecond characterization were performed at 532 nm, while picosecond measurements were performed using an optical parametric oscillator (OPO) from 440 to 650 nm. The photophysical parameters of these dyes including cross sections and excited-state lifetimes are presented both in solution in ethanol and in an elastopolymeric material, polyurethane acrylate (PUA). We determine that the dominant nonlinearity in all these dyes is large excited-state absorption (ESA), i.e. reverse saturable absorption. For several of the dyes we measure a relatively large ground-state absorption cross section, σ01, which effectively populates an excited state that possesses an extremely large ESA cross section, σ12. The ratios of σ12/ σ01 are the largest we know of, up to 200 at 532 nm, and lead to very low thresholds for optical limiting. However, the lifetimes of the excited state are of the order of 1 ns in ethanol, which is increased to up to 3 ns in PUA. This lifetime is less than optimum for sensor protection applications for Q-switched inputs, and intersystem crossing times for these molecules are extremely long, so that triplet states are not populated. These parameters show a significant improvement over those of the first set of this class of dyes studied and indicate that further improvement of the photophysical parameters may be possible. From these measurements, correlations between molecular structure and nonlinear properties are made. We propose a five-level, all-singlet state model, which includes reorientation processes in the first excited state. This includes a trans- cis conformational change that leads to the formation of a new state with a new molecular configuration which is also absorbing but can undergo a light-induced degradation at high inputs.

Quinary excitation method for pulse compression ultrasound measurements.

PubMed

Cowell, D M J; Freear, S

2008-04-01

A novel switched excitation method for linear frequency modulated excitation of ultrasonic transducers in pulse compression systems is presented that is simple to realise, yet provides reduced signal sidelobes at the output of the matched filter compared to bipolar pseudo-chirp excitation. Pulse compression signal sidelobes are reduced through the use of simple amplitude tapering at the beginning and end of the excitation duration. Amplitude tapering using switched excitation is realised through the use of intermediate voltage switching levels, half that of the main excitation voltages. In total five excitation voltages are used creating a quinary excitation system. The absence of analogue signal generation and power amplifiers renders the excitation method attractive for applications with requirements such as a high channel count or low cost per channel. A systematic study of switched linear frequency modulated excitation methods with simulated and laboratory based experimental verification is presented for 2.25 MHz non-destructive testing immersion transducers. The signal to sidelobe noise level of compressed waveforms generated using quinary and bipolar pseudo-chirp excitation are investigated for transmission through a 0.5m water and kaolin slurry channel. Quinary linear frequency modulated excitation consistently reduces signal sidelobe power compared to bipolar excitation methods. Experimental results for transmission between two 2.25 MHz transducers separated by a 0.5m channel of water and 5% kaolin suspension shows improvements in signal to sidelobe noise power in the order of 7-8 dB. The reported quinary switched method for linear frequency modulated excitation provides improved performance compared to pseudo-chirp excitation without the need for high performance excitation amplifiers.

Pressure-induced emergence of unusually high-frequency transverse excitations in a liquid alkali metal: Evidence of two types of collective excitations contributing to the transverse dynamics at high pressures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bryk, Taras; Lviv Polytechnic National University, 12 S. Bandera Street, UA-79013 Lviv; Ruocco, G.

Unlike phonons in crystals, the collective excitations in liquids cannot be treated as propagation of harmonic displacements of atoms around stable local energy minima. The viscoelasticity of liquids, reflected in transition from the adiabatic to elastic high-frequency speed of sound and in absence of the long-wavelength transverse excitations, results in dispersions of longitudinal (L) and transverse (T) collective excitations essentially different from the typical phonon ones. Practically, nothing is known about the effect of high pressure on the dispersion of collective excitations in liquids, which causes strong changes in liquid structure. Here dispersions of L and T collective excitations inmore » liquid Li in the range of pressures up to 186 GPa were studied by ab initio simulations. Two methodologies for dispersion calculations were used: direct estimation from the peak positions of the L/T current spectral functions and simulation-based calculations of wavenumber-dependent collective eigenmodes. It is found that at ambient pressure, the longitudinal and transverse dynamics are well separated, while at high pressures, the transverse current spectral functions, density of vibrational states, and dispersions of collective excitations yield evidence of two types of propagating modes that contribute strongly to transverse dynamics. Emergence of the unusually high-frequency transverse modes gives evidence of the breakdown of a regular viscoelastic theory of transverse dynamics, which is based on coupling of a single transverse propagating mode with shear relaxation. The explanation of the observed high-frequency shift above the viscoelastic value is given by the presence of another branch of collective excitations. With the pressure increasing, coupling between the two types of collective excitations is rationalized within a proposed extended viscoelastic model of transverse dynamics.« less

Excited state non-adiabatic dynamics of pyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Guorong; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023; Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026

The dynamics of pyrrole excited at wavelengths in the range 242-217 nm are studied using a combination of time-resolved photoelectron spectroscopy and wavepacket propagations performed using the multi-configurational time-dependent Hartree method. Excitation close to the origin of pyrrole’s electronic spectrum, at 242 and 236 nm, is found to result in an ultrafast decay of the system from the ionization window on a single timescale of less than 20 fs. This behaviour is explained fully by assuming the system to be excited to the A{sub 2}(πσ{sup ∗}) state, in accord with previous experimental and theoretical studies. Excitation at shorter wavelengths hasmore » previously been assumed to result predominantly in population of the bright A{sub 1}(ππ{sup ∗}) and B{sub 2}(ππ{sup ∗}) states. We here present time-resolved photoelectron spectra at a pump wavelength of 217 nm alongside detailed quantum dynamics calculations that, together with a recent reinterpretation of pyrrole’s electronic spectrum [S. P. Neville and G. A. Worth, J. Chem. Phys. 140, 034317 (2014)], suggest that population of the B{sub 1}(πσ{sup ∗}) state (hitherto assumed to be optically dark) may occur directly when pyrrole is excited at energies in the near UV part of its electronic spectrum. The B{sub 1}(πσ{sup ∗}) state is found to decay on a timescale of less than 20 fs by both N-H dissociation and internal conversion to the A{sub 2}(πσ{sup ∗}) state.« less

Performance seeking control excitation mode

NASA Technical Reports Server (NTRS)

Schkolnik, Gerard

1995-01-01

Flight testing of the performance seeking control (PSC) excitation mode was successfully completed at NASA Dryden on the F-15 highly integrated digital electronic control (HIDEC) aircraft. Although the excitation mode was not one of the original objectives of the PSC program, it was rapidly prototyped and implemented into the architecture of the PSC algorithm, allowing valuable and timely research data to be gathered. The primary flight test objective was to investigate the feasibility of a future measurement-based performance optimization algorithm. This future algorithm, called AdAPT, which stands for adaptive aircraft performance technology, generates and applies excitation inputs to selected control effectors. Fourier transformations are used to convert measured response and control effector data into frequency domain models which are mapped into state space models using multiterm frequency matching. Formal optimization principles are applied to produce an integrated, performance optimal effector suite. The key technical challenge of the measurement-based approach is the identification of the gradient of the performance index to the selected control effector. This concern was addressed by the excitation mode flight test. The AdAPT feasibility study utilized the PSC excitation mode to apply separate sinusoidal excitation trims to the controls - one aircraft, inlet first ramp (cowl), and one engine, throat area. Aircraft control and response data were recorded using on-board instrumentation and analyzed post-flight. Sensor noise characteristics, axial acceleration performance gradients, and repeatability were determined. Results were compared to pilot comments to assess the ride quality. Flight test results indicate that performance gradients were identified at all flight conditions, sensor noise levels were acceptable at the frequencies of interest, and excitations were generally not sensed by the pilot.

Formation of periodic surface structures on dielectrics after irradiation with laser beams of spatially variant polarisation: a comparative study

NASA Astrophysics Data System (ADS)

Papadopoulos, Antonis; Skoulas, Evangelos; Tsibidis, George D.; Stratakis, Emmanuel

2018-02-01

A comparative study is performed to explore the periodic structure formation upon intense femtosecond-pulsed irradiation of dielectrics with radially and azimuthally polarised beams. Laser conditions have been selected appropriately to produce excited carriers with densities below the optical breakdown threshold in order to highlight the role of phase transitions in surface modification mechanisms. The frequency of the laser-induced structures is calculated based on a theoretical model that comprises estimation of electron density excitation, heat transfer, relaxation processes, and hydrodynamics-related mass transport. The influence of the laser wavelength in the periodicity of the structures is also unveiled. The decreased energy absorption for azimuthally polarised beams yields periodic structures with smaller frequencies which are more pronounced as the number of laser pulses applied to the irradiation spot increases. Similar results are obtained for laser pulses of larger photon energy and higher fluences. All induced periodic structures are oriented parallel to the laser beam polarisation.

Right hemisphere dominance directly predicts both baseline V1 cortical excitability and the degree of top-down modulation exerted over low-level brain structures.

PubMed

Arshad, Q; Siddiqui, S; Ramachandran, S; Goga, U; Bonsu, A; Patel, M; Roberts, R E; Nigmatullina, Y; Malhotra, P; Bronstein, A M

2015-12-17

Right hemisphere dominance for visuo-spatial attention is characteristically observed in most right-handed individuals. This dominance has been attributed to both an anatomically larger right fronto-parietal network and the existence of asymmetric parietal interhemispheric connections. Previously it has been demonstrated that interhemispheric conflict, which induces left hemisphere inhibition, results in the modulation of both (i) the excitability of the early visual cortex (V1) and (ii) the brainstem-mediated vestibular-ocular reflex (VOR) via top-down control mechanisms. However to date, it remains unknown whether the degree of an individual's right hemisphere dominance for visuospatial function can influence, (i) the baseline excitability of the visual cortex and (ii) the extent to which the right hemisphere can exert top-down modulation. We directly tested this by correlating line bisection error (or pseudoneglect), taken as a measure of right hemisphere dominance, with both (i) visual cortical excitability measured using phosphene perception elicited via single-pulse occipital trans-cranial magnetic stimulation (TMS) and (ii) the degree of trans-cranial direct current stimulation (tDCS)-mediated VOR suppression, following left hemisphere inhibition. We found that those individuals with greater right hemisphere dominance had a less excitable early visual cortex at baseline and demonstrated a greater degree of vestibular nystagmus suppression following left hemisphere cathodal tDCS. To conclude, our results provide the first demonstration that individual differences in right hemisphere dominance can directly predict both the baseline excitability of low-level brain structures and the degree of top-down modulation exerted over them. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Optimal placement of excitations and sensors for verification of large dynamical systems

NASA Technical Reports Server (NTRS)

Salama, M.; Rose, T.; Garba, J.

1987-01-01

The computationally difficult problem of the optimal placement of excitations and sensors to maximize the observed measurements is studied within the framework of combinatorial optimization, and is solved numerically using a variation of the simulated annealing heuristic algorithm. Results of numerical experiments including a square plate and a 960 degrees-of-freedom Control of Flexible Structure (COFS) truss structure, are presented. Though the algorithm produces suboptimal solutions, its generality and simplicity allow the treatment of complex dynamical systems which would otherwise be difficult to handle.

Tailoring dye-sensitized upconversion nanoparticle excitation bands towards excitation wavelength selective imaging

DOE PAGES

Wu, Xiang; Lee, Hyungseok; Bilsel, Osman; ...

2015-01-01

One of the key roadblocks in UCNP development is its extremely limited choices of excitation wavelengths. We report a generic design to program UCNPs to possess highly tunable dye characteristic excitation bands. Using such distinctive properties, we were able to develop a new excitation wavelength selective security imaging. Finally, this work unleashed the greater freedom of the excitation wavelengths of the upconversion nanoparticles and we believe it is a game-changer in the field and this method will enable numerous applications that are currently limited by existing UCNPs.

Wave-front propagation in a discrete model of excitable media

NASA Astrophysics Data System (ADS)

Feldman, A. B.; Chernyak, Y. B.; Cohen, R. J.

1998-06-01

We generalize our recent discrete cellular automata (CA) model of excitable media [Y. B. Chernyak, A. B. Feldman, and R. J. Cohen, Phys. Rev. E 55, 3215 (1997)] to incorporate the effects of inhibitory processes on the propagation of the excitation wave front. In the common two variable reaction-diffusion (RD) models of excitable media, the inhibitory process is described by the v ``controller'' variable responsible for the restoration of the equilibrium state following excitation. In myocardial tissue, the inhibitory effects are mainly due to the inactivation of the fast sodium current. We represent inhibition using a physical model in which the ``source'' contribution of excited elements to the excitation of their neighbors decreases with time as a simple function with a single adjustable parameter (a rate constant). We sought specific solutions of the CA state transition equations and obtained (both analytically and numerically) the dependence of the wave-front speed c on the four model parameters and the wave-front curvature κ. By requiring that the major characteristics of c(κ) in our CA model coincide with those obtained from solutions of a specific RD model, we find a unique set of CA parameter values for a given excitable medium. The basic structure of our CA solutions is remarkably similar to that found in typical RD systems (similar behavior is observed when the analogous model parameters are varied). Most notably, the ``turn-on'' of the inhibitory process is accompanied by the appearance of a solution branch of slow speed, unstable waves. Additionally, when κ is small, we obtain a family of ``eikonal'' relations c(κ) that are suitable for the kinematic analysis of traveling waves in the CA medium. We compared the solutions of the CA equations to CA simulations for the case of plane waves and circular (target) waves and found excellent agreement. We then studied a spiral wave using the CA model adjusted to a specific RD system and found good

Stochastic stability of parametrically excited random systems

NASA Astrophysics Data System (ADS)

Labou, M.

2004-01-01

Multidegree-of-freedom dynamic systems subjected to parametric excitation are analyzed for stochastic stability. The variation of excitation intensity with time is described by the sum of a harmonic function and a stationary random process. The stability boundaries are determined by the stochastic averaging method. The effect of random parametric excitation on the stability of trivial solutions of systems of differential equations for the moments of phase variables is studied. It is assumed that the frequency of harmonic component falls within the region of combination resonances. Stability conditions for the first and second moments are obtained. It turns out that additional parametric excitation may have a stabilizing or destabilizing effect, depending on the values of certain parameters of random excitation. As an example, the stability of a beam in plane bending is analyzed.

Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo, Xugeng, E-mail: xgguo@henu.edu.cn, E-mail: zhangjinglai@henu.edu.cn; Yuan, Huijuan; An, Beibei

Photoinduced ultrafast non-adiabatic decay of 9-methylhypoxanthine (9MHPX) in aqueous solution was investigated by ab initio surface-hopping dynamics calculations using a combined quantum mechanical/molecular mechanical approach. The absorption spectra of 9MHPX in aqueous solution were also explored by the hybrid cluster-continuum model at the level of time-dependent density functional theory along with the polarizable continuum model (PCM). The static electronic-structure calculations indicate that the absorption spectra of 9MHPX simulated by TD-B3LYP/PCM and TD-X3LYP/PCM can reproduce very well the experimental findings, with the accuracy of about 0.20 eV. According to dynamics simulations, irradiation of 9MHPX populates the bright excited singlet S{sub 1}more » state, which may undergo an ultrafast non-radiative deactivation to the S{sub 0} state. The lifetime of the S{sub 1} state of 9MHPX in aqueous solution is predicted to be 115.6 fs, slightly longer than that in the gas phase (88.8 fs), suggesting that the solvent water has no significant influence on the excited-state lifetime of 9MHPX. Such a behavior in 9MHPX is distinctly different from its parent hypoxanthine keto-N9H tautomer in which the excited-state lifetime of the latter in water solution was remarkably enhanced as compared to the gas phase. The significant difference of the photodynamical behaviors between 9MHPX and keto-N9H can be ascribed to their different hydrogen bond environment in aqueous solution.« less

Mechanistic Study on Electronic Excitation Dissociation of the Cellobiose-Na+ Complex

NASA Astrophysics Data System (ADS)

Huang, Yiqun; Pu, Yi; Yu, Xiang; Costello, Catherine E.; Lin, Cheng

2016-02-01

The recent development of electron activated dissociation (ExD) techniques has opened the door for high-throughput, detailed glycan structural elucidation. Among them, ExD methods employing higher-energy electrons offer several advantages over low-energy electron capture dissociation (ECD), owing to their applicability towards chromophore-labeled glycans and singly charged ions, and ability to provide more extensive structural information. However, a lack of understanding of these processes has hindered rational optimization of the experimental conditions for more efficient fragmentation as well as the development of informatics tools for interpretation of the complex glycan ExD spectra. Here, cellobiose-Na+ was used as the model system to investigate the fragmentation behavior of metal-adducted glycans under irradiation of electrons with energy exceeding their ionization potential, and served as the basis on which a novel electronic excitation dissociation (EED) mechanism was proposed. It was found that ionization of the glycan produces a mixture of radical cations and ring-opened distonic ions. These distonic ions then capture a low-energy electron to produce diradicals with trivial singlet-triplet splitting, and subsequently undergo radical-induced dissociation to produce a variety of fragment ions, the abundances of which are influenced by the stability of the distonic ions from which they originate.

Early history of the pre-excitation syndrome.

PubMed

Hanon, Sam; Shapiro, Michael; Schweitzer, Paul

2005-01-01

This brief review discusses the interesting early history of the pre-excitation syndrome. In 1913 Cohn and Fraser published the first patient with a short P-R interval, wide QRS complexes, and paroxysmal tachycardia. This was followed by other cases of pre-excitation syndrome, all of which were considered to be due to bundle branch blocks. In 1930 Wolff, Parkinson, and White reported 11 patients with the syndrome, which came to bear their name. Two years later, Holzmann and Scherf suggested bypass tracts as the most likely mechanism of pre-excitation syndrome. In 1942, Wood et al. documented the first accessory connection at autopsy. Despite these early studies supporting the bypass theory, the quest for alternative mechanisms continued until the 1970s when electrophysiological studies and surgical therapy confirmed accessory connections as the mechanism of pre-excitation syndrome.

Excitation basis for (3+1)d topological phases

NASA Astrophysics Data System (ADS)

Delcamp, Clement

2017-12-01

We consider an exactly solvable model in 3+1 dimensions, based on a finite group, which is a natural generalization of Kitaev's quantum double model. The corresponding lattice Hamiltonian yields excitations located at torus-boundaries. By cutting open the three-torus, we obtain a manifold bounded by two tori which supports states satisfying a higher-dimensional version of Ocneanu's tube algebra. This defines an algebraic structure extending the Drinfel'd double. Its irreducible representations, labeled by two fluxes and one charge, characterize the torus-excitations. The tensor product of such representations is introduced in order to construct a basis for (3+1)d gauge models which relies upon the fusion of the defect excitations. This basis is defined on manifolds of the form Σ × S_1 , with Σ a two-dimensional Riemann surface. As such, our construction is closely related to dimensional reduction from (3+1)d to (2+1)d topological orders.

Nonstationary Transient Vibroacoustic Response of a Beam Structure

NASA Technical Reports Server (NTRS)

Caimi, R. E.; Margasahayam, R. N.; Nayfeh, Jamal F.

1997-01-01

This study consists of an investigation into the nonstationary transient response of the Verification Test Article (VETA) when subjected to random acoustic excitation. The goal is to assess excitation models that can be used in the design of structures and equipment when knowledge of the structure and the excitation is limited. The VETA is an instrumented cantilever beam that was exposed to acoustic loading during five Space Shuttle launches. The VETA analytical structural model response is estimated using the direct averaged power spectral density and the normalized pressure spectra methods. The estimated responses are compared to the measured response of the VETA. These comparisons are discussed with a focus on prediction conservatism and current design practice.

Central nervous tissue: an excitable medium. a study using the retinal spreading depression as a tool.

PubMed

Hanke, Wolfgang; de Lima, Vera Maura Fernandes

2008-02-13

According to its physicochemical properties, neuronal tissue, including the central nervous system (CNS) and thus the human brain, is an excitable medium, which consequently exhibits, among other things, self-organization, pattern formation and propagating waves. Furthermore, such systems can be controlled by weak external forces. The spreading depression (SD), a propagating wave of excitation-depression, is such an event, which is additionally linked to a variety of medically important situations, classical migraine being just one example. Especially in retinal tissue, a true part of the CNS, the SD can be observed very easily with the naked eye and by video imaging techniques due to its big intrinsic optical signal. We have investigated the retinal SD and its control by external physical parameters such as gravity and temperature. Beyond this, especially due to its medical relevance, the control of CNS excitability by pharmacological tools is of specific interest, and we have studied this question in detail using the retinal SD as an experimental tool to collect information about the control of CNS tissue excitability.

Multiphoton-Excited Fluorescence of Silicon-Vacancy Color Centers in Diamond

NASA Astrophysics Data System (ADS)

Higbie, J. M.; Perreault, J. D.; Acosta, V. M.; Belthangady, C.; Lebel, P.; Kim, M. H.; Nguyen, K.; Demas, V.; Bajaj, V.; Santori, C.

2017-05-01

Silicon-vacancy color centers in nanodiamonds are promising as fluorescent labels for biological applications, with a narrow, nonbleaching emission line at 738 nm. Two-photon excitation of this fluorescence offers the possibility of low-background detection at significant tissue depth with high three-dimensional spatial resolution. We measure the two-photon fluorescence cross section of a negatively charged silicon vacancy (Si -V- ) in ion-implanted bulk diamond to be 0.74 (19 )×10-50 cm4 s /photon at an excitation wavelength of 1040 nm. Compared to the diamond nitrogen-vacancy center, the expected detection threshold of a two-photon excited Si -V center is more than an order of magnitude lower, largely due to its much narrower linewidth. We also present measurements of two- and three-photon excitation spectra, finding an increase in the two-photon cross section with decreasing wavelength, and we discuss the physical interpretation of the spectra in the context of existing models of the Si -V energy-level structure.

Nitric oxide excited under auroral conditions: Excited state densities and band emissions

NASA Astrophysics Data System (ADS)

Cartwright, D. C.; Brunger, M. J.; Campbell, L.; Mojarrabi, B.; Teubner, P. J. O.

2000-09-01

Electron impact excitation of vibrational levels in the ground electronic state and nine excited electronic states in NO has been simulated for an IBC II aurora (i.e., ˜10 kR in 3914 Å radiation) in order to predict NO excited state number densities and band emission intensities. New integral electron impact excitation cross sections for NO were combined with a measured IBC II auroral secondary electron distribution, and the vibrational populations of 10 NO electronic states were determined under conditions of statistical equilibrium. This model predicts an extended vibrational distribution in the NO ground electronic state produced by radiative cascade from the seven higher-lying doublet excited electronic states populated by electron impact. In addition to significant energy storage in vibrational excitation of the ground electronic state, both the a 4Π and L2 Φ excited electronic states are predicted to have relatively high number densities because they are only weakly connected to lower electronic states by radiative decay. Fundamental mode radiative transitions involving the lowest nine excited vibrational levels in the ground electronic state are predicted to produce infrared (IR) radiation from 5.33 to 6.05 μm with greater intensity than any single NO electronic emission band. Fundamental mode radiative transitions within the a 4Π electronic state, in the 10.08-11.37 μm region, are predicted to have IR intensities comparable to individual electronic emission bands in the Heath and ɛ band systems. Results from this model quantitatively predict the vibrational quantum number dependence of the NO IR measurements of Espy et al. [1988].

Vertical electric field induced suppression of fine structure splitting of excited state excitons in a single GaAs/AlGaAs island quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghali, Mohsen; Laboratory of Nanophotonics, Physics Department, Faculty of Science, Kafrelsheikh University, 33516 Kafrelsheikh; Ohno, Yuzo

2015-09-21

We report experimentally on fine structure splitting (FSS) of various excitonic transitions in single GaAs island quantum dots, formed by a monolayer thickness fluctuation in the narrow GaAs/AlGaAs quantum well, and embedded in an n-i-Schottky diode device. By applying a forward vertical electric field (F) between the top metallic contact and the sample substrate, we observed an in-plane polarization rotation of both the ground and the excited state excitons with increasing the electric field. The polarization rotations were accompanied with a strong decrease in the FSS of the ground as well as the excited state excitons with the field, untilmore » the FSS vanished as F approached 30 kV/cm.« less

A novel torsional exciter for modal vibration testing of large rotating machinery

NASA Astrophysics Data System (ADS)

Sihler, Christof

2006-10-01

A novel exciter for applying a dynamic torsional force to a rotating structure is presented in this paper. It has been developed at IPP in order to perform vibration tests with shaft assemblies of large flywheel generators (synchronous machines). The electromagnetic exciter (shaker) needs no fixture to the rotating shaft because the torque is applied by means of the stator winding of an electrical machine. Therefore, the exciter can most easily be applied in cases where a three-phase electrical machine (a motor or generator) is part of the shaft assembly. The oscillating power for the shaker is generated in a separate current-controlled DC circuit with an inductor acting as a buffer storage of magnetic energy. An AC component with adjustable frequency is superimposed on the inductor current in order to generate pulsating torques acting on the rotating shaft with the desired waveform and frequency. Since this torsional exciter does not require an external power source, can easily be installed (without contact to the rotating structure) and provides dynamic torsional forces which are sufficient for multi-megawatt applications, it is best suited for on-site tests of large rotating machinery.

Excitation Spectra in Crystal Plasticity

NASA Astrophysics Data System (ADS)

Ovaska, Markus; Lehtinen, Arttu; Alava, Mikko J.; Laurson, Lasse; Zapperi, Stefano

2017-12-01

Plastically deforming crystals exhibit scale-free fluctuations that are similar to those observed in driven disordered elastic systems close to depinning, but the nature of the yielding critical point is still debated. Here, we study the marginal stability of ensembles of dislocations and compute their excitation spectrum in two and three dimensions. Our results show the presence of a singularity in the distribution of excitation stresses, i.e., the stress needed to make a localized region unstable, that is remarkably similar to the one measured in amorphous plasticity and spin glasses. These results allow us to understand recent observations of extended criticality in bursty crystal plasticity and explain how they originate from the presence of a pseudogap in the excitation spectrum.