Proton bombarded reactions of Calcium target nuclei

NASA Astrophysics Data System (ADS)

Tel, Eyyup; Sahan, Muhittin; Sarpün, Ismail Hakki; Kavun, Yusuf; Gök, Ali Armagan; Depedelen, Mesut

2017-09-01

In this study, proton bombarded nuclear reactions calculations of Calcium target nuclei have been investigated in the incident proton energy range of 1-50 MeV. The excitation functions for 40Ca target nuclei reactions have been calculated by using PCROSS nuclear reaction calculation code. Weisskopf-Ewing and the full exciton models were used for equilibrium and for pre-equilibrium calculations, respectively. The excitation functions for 40Ca target nuclei reactions (p,α), (p,n), (p,p) have been calculated using the semi-empirical formula Tel et al. [5].

Proton and deuteron induced reactions on natGa: Experimental and calculated excitation functions

NASA Astrophysics Data System (ADS)

Hermanne, A.; Adam-Rebeles, R.; Tárkányi, F.; Takács, S.; Ditrói, F.

2015-09-01

Cross-sections for reactions on natGa, induced by protons (up to 65 MeV) and deuterons (up to 50 MeV), producing γ-emitting radionuclides with half-lives longer than 1 h were measured in a stacked-foil irradiation using thin Ga-Ni alloy (70-30%) targets electroplated on Cu or Au backings. Excitation functions for generation of 68,69Ge, 66,67,68,72Ga and 65,69mZn on natGa are discussed, relative to the monitor reactions natAl(d,x)24,22Na, natAl(p,x)24,22Na, natCu(p,x)62Zn and natNi(p,x)57Ni. The results are compared to our earlier measurements, the scarce literature values and to the results of the code TALYS 1.6 (online database TENDL-2014).

The Strange (Hi)story of Particles and Waves

NASA Astrophysics Data System (ADS)

Zeh, H. Dieter

2016-03-01

This is an attempt of a non-technical but conceptually consistent presentation of quantum theory in a historical context. While the first part is written for a general readership, Section 5 may appear a bit provocative to some quantum physicists. I argue that the single-particle wave functions of quantum mechanics have to be correctly interpreted as field modes that are "occupied once" (i.e. first excited states of the corresponding quantum oscillators in the case of boson fields). Multiple excitations lead to apparent many-particle wave functions, while the quantum states proper are defined by wave function(al)s on the "configuration" space of fundamental fields, or on another, as yet elusive, fundamental local basis.

Targeting mechanisms of high voltage-activated Ca2+ channels.

PubMed

Herlitze, Stefan; Xie, Mian; Han, Jing; Hümmer, Alexander; Melnik-Martinez, Katya V; Moreno, Rosa L; Mark, Melanie D

2003-12-01

Functional voltage-dependent Ca2+ channel complexes are assembled by three to four subunits: alpha1, beta, alpha2delta subunits (C. Leveque et al., 1994, J. Biol Chem. 269, 6306-6312; M. W. McEnery et al., 1991, Proc. Natl. Acad. Sci. U.S.A. 88, 11095-11099) and at least in muscle cells also y subunits (B. M. Curtis and W. A. Catterall, 1984, Biochemistry 23, 2113-2118). Ca2+ channels mediate the voltage-dependent Ca2+ influx in subcellular compartments, triggering such diverse processes as neurotransmitter release, dendritic action potentials, excitation-contraction, and excitation-transcription coupling. The targeting of biophysically defined Ca2+ channel complexes to the correct subcellular structures is, thus, critical to proper cell and physiological functioning. Despite their importance, surprisingly little is known about the targeting mechanisms by which Ca2+ channel complexes are transported to their site of function. Here we summarize what we know about the targeting of Ca2+ channel complexes through the cell to the plasma membrane and subcellular structures.

Radiative lifetimes and cooling functions for astrophysically important molecules

NASA Astrophysics Data System (ADS)

Tennyson, Jonathan; Hulme, Kelsey; Naim, Omree K.; Yurchenko, Sergei N.

2016-02-01

Extensive line lists generated as part of the ExoMol project are used to compute lifetimes for individual rotational, rovibrational and rovibronic excited states, and temperature-dependent cooling functions by summing over all dipole-allowed transitions for the states concerned. Results are presented for SiO, CaH, AlO, ScH, H2O and methane. The results for CH4 are particularly unusual with four excited states with no dipole-allowed decay route and several others, where these decays lead to exceptionally long lifetimes. These lifetime data should be useful in models of masers and estimates of critical densities, and can provide a link with laboratory measurements. Cooling functions are important in stellar and planet formation.

Micropatterned nanostructures: a bioengineered approach to mass-produce functional myocardial grafts.

PubMed

Serpooshan, Vahid; Mahmoudi, Morteza

2015-02-13

Cell-based therapies are a recently established path for treating a wide range of human disease. Tissue engineering of contractile heart muscle for replacement therapy is among the most exciting and important of these efforts. However, current in vitro techniques of cultivating functional mature cardiac grafts have only been moderately successful due to the poor capability of traditional two-dimensional cell culture systems to recapitulate necessary in vivo conditions. In this issue, Kiefer et al introduce a laser-patterned nanostructured substrate (Al/Al2O3 nanowires) for efficient maintenance of oriented human cardiomyocytes, with great potential to open new roads to mass-production of contractile myocardial grafts for cardiovascular tissue engineering.

Micropatterned nanostructures: a bioengineered approach to mass-produce functional myocardial grafts

NASA Astrophysics Data System (ADS)

Serpooshan, Vahid; Mahmoudi, Morteza

2015-02-01

Cell-based therapies are a recently established path for treating a wide range of human disease. Tissue engineering of contractile heart muscle for replacement therapy is among the most exciting and important of these efforts. However, current in vitro techniques of cultivating functional mature cardiac grafts have only been moderately successful due to the poor capability of traditional two-dimensional cell culture systems to recapitulate necessary in vivo conditions. In this issue, Kiefer et al [1] introduce a laser-patterned nanostructured substrate (Al/Al2O3 nanowires) for efficient maintenance of oriented human cardiomyocytes, with great potential to open new roads to mass-production of contractile myocardial grafts for cardiovascular tissue engineering.

Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method.

PubMed

Ruberti, M; Yun, R; Gokhberg, K; Kopelke, S; Cederbaum, L S; Tarantelli, F; Averbukh, V

2014-05-14

Here, we extend the L2 ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electronic states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. The intermediate state representation of the dipole operator in the ADC basis is used to compute the transition moments between the excited states of the molecule. We compare the results obtained using different levels of the many-body theory, i.e., ADC(1), ADC(2), and ADC(2)x for the first two excited states of CO, N2, and H2O both at the ground state and the excited state equilibrium or saddle point geometries. We find that the single excitation ADC(1) method is not adequate even at the qualitative level and that the inclusion of double electronic excitations for description of excited state photoionization is essential. Moreover, we show that the use of the extended ADC(2)x method leads to a substantial systematic difference from the strictly second-order ADC(2). Our calculations demonstrate that a theoretical modelling of photoionization of excited states requires an intrinsically double excitation theory with respect to the ground state and cannot be achieved by the standard single excitation methods with the ground state as a reference.

Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method

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

Ruberti, M.; Yun, R.; Averbukh, V.

2014-05-14

Here, we extend the L{sup 2} ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electronic states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. The intermediate state representation of the dipole operator in themore » ADC basis is used to compute the transition moments between the excited states of the molecule. We compare the results obtained using different levels of the many-body theory, i.e., ADC(1), ADC(2), and ADC(2)x for the first two excited states of CO, N{sub 2}, and H{sub 2}O both at the ground state and the excited state equilibrium or saddle point geometries. We find that the single excitation ADC(1) method is not adequate even at the qualitative level and that the inclusion of double electronic excitations for description of excited state photoionization is essential. Moreover, we show that the use of the extended ADC(2)x method leads to a substantial systematic difference from the strictly second-order ADC(2). Our calculations demonstrate that a theoretical modelling of photoionization of excited states requires an intrinsically double excitation theory with respect to the ground state and cannot be achieved by the standard single excitation methods with the ground state as a reference.« less

Emission mechanisms in Al-rich AlGaN/AlN quantum wells assessed by excitation power dependent photoluminescence spectroscopy

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

Iwata, Yoshiya; Banal, Ryan G.; Ichikawa, Shuhei

2015-02-21

The optical properties of Al-rich AlGaN/AlN quantum wells are assessed by excitation-power-dependent time-integrated (TI) and time-resolved (TR) photoluminescence (PL) measurements. Two excitation sources, an optical parametric oscillator and the 4th harmonics of a Ti:sapphire laser, realize a wide range of excited carrier densities between 10{sup 12} and 10{sup 21 }cm{sup −3}. The emission mechanisms change from an exciton to an electron-hole plasma as the excitation power increases. Accordingly, the PL decay time is drastically reduced, and the integrated PL intensities increase in the following order: linearly, super-linearly, linearly again, and sub-linearly. The observed results are well accounted for by rate equationsmore » that consider the saturation effect of non-radiative recombination processes. Using both TIPL and TRPL measurements allows the density of non-radiative recombination centers, the internal quantum efficiency, and the radiative recombination coefficient to be reliably extracted.« less

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.

Fully relativistic B-spline R-matrix calculations for electron collisions with xenon

NASA Astrophysics Data System (ADS)

Bartschat, Klaus; Zatsarinny, Oleg

2009-05-01

We have applied our recently developed fully relativistic Dirac B-spline R-matrix (DBSR) code [1] to calculate electron scattering from xenon atoms. Results from a 31-state close-coupling model for the excitation function of the metastable (5p^5 6s) J=0,2 states show excellent agreement with experiment [2], thereby presenting a significant improvement over the most sophisticated previous Breit-Pauli calculations [3,4]. This allows for a detailed and reliable analysis of the resonance structure. The same model is currently being used to calculate electron-impact excitation from the metastable J=2 state. The results will be compared with recent experimental data [5] and predictions from other theoretical models [6,7]. [1] O. Zatsarinny and K. Bartschat, Phys. Rev. A 77 (2008) 062701. [2] S. J. Buckman et al., J. Phys. B 16 (1983) 4219. [3] A. N. Grum-Grzhimailo and K. Bartschat, J. Phys. B 35 (2002) 3479. [4] M. Allan et al., Phys. Rev. A 74 (2006) 030701(R). [5] R. O. Jung et al., Phys. Rev. A 72 (2005) 022723. [6] R. Srivastava et al., Phys. Rev. A 74 (2006) 012715. [7] J. Jiang et al., J. Phys. B 41 (2008) 245204.

A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules

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

Bruneval, Fabien; Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720; Department of Physics, University of California, Berkeley, California 94720

2015-06-28

The predictive power of the ab initio Bethe-Salpeter equation (BSE) approach, rigorously based on many-body Green’s function theory but incorporating information from density functional theory, has already been demonstrated for the optical gaps and spectra of solid-state systems. Interest in photoactive hybrid organic/inorganic systems has recently increased and so has the use of the BSE for computing neutral excitations of organic molecules. However, no systematic benchmarks of the BSE for neutral electronic excitations of organic molecules exist. Here, we study the performance of the BSE for the 28 small molecules in Thiel’s widely used time-dependent density functional theory benchmark setmore » [Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. We observe that the BSE produces results that depend critically on the mean-field starting point employed in the perturbative approach. We find that this starting point dependence is mainly introduced through the quasiparticle energies obtained at the intermediate GW step and that with a judicious choice of starting mean-field, singlet excitation energies obtained from BSE are in excellent quantitative agreement with higher-level wavefunction methods. The quality of the triplet excitations is slightly less satisfactory.« less

^235U(n,xnγ) Excitation Function Measurements Using Gamma-Ray Spectroscopy at GEANIE

NASA Astrophysics Data System (ADS)

Younes, W.; Becker, J. A.; Bernstein, L. A.; Archer, D. E.; Stoyer, M. A.; Hauschild, K.; Drake, D. M.; Johns, G. D.; Nelson, R. O.; Wilburn, S. W.

1998-04-01

The ^235U(n,xn) cross sections (where x<=2) have previously been measured at several incident neutron energies. In particular, the ^235U(n,2n) cross section has been measured(J. Frehaut et al.), Nucl. Sci. Eng. 74,29 (1980). reliably up to peak near E_n≈ 11 MeV, but not along the tail which is predicted by some(M.B. Chadwick, private communication.) codes to yield significant (e.g. >= 10% of peak) cross section out to E_n≈ 30 MeV. We have measured gamma-ray spectra resulting from ^235U(n,xn) as a function of neutron energy in the range 1 MeV <~ En <~ 200 MeV using the GEANIE spectrometer at the LANSCE/WNR ``white'' neutron source. We will present excitation functions for the de-excitation gamma rays in ^234,235U compared to predictions from the Hauser-Feshbach-preequilibrium code GNASH(M.B. Chadwick and P.G. Young, Los Alamos Report No. LA-UR-93-104, 1993.).

Electronic and optical properties of GaN/AlN quantum dots on Si(111) subject to in-plane uniaxial stresses and variable excitation

NASA Astrophysics Data System (ADS)

Moshe, O.; Rich, D. H.; Birner, S.; Povolotskyi, M.; Damilano, B.; Massies, J.

2010-10-01

We have studied the excitation- and polarization-dependent optical properties of GaN/AlN self-assembled quantum dots (QDs) grown on Si(111) substrates. Ensembles of QDs were subject to various external stress configurations that resulted from the thermal expansion coefficient mismatch between the GaN/AlN layers and the Si(111) substrate and ranged from in-plane uniaxial stress, primarily along the ⟨112¯0⟩ directions, to in-plane biaxial stress, having magnitudes ranging from 20-30 kbar. Limited regions of uniaxial stress were obtained by exploiting naturally occurring microcracks that form during the postgrowth cooling. These microcracks act as stressors in order to create the highly localized regions of uniaxial stress. The local strain tensors for such QDs, which are subject to an interfacial stress perturbation, have been determined by modeling the dependence of the QD excitonic transition energy on the interfacial stress. Cathodoluminescence (CL) measurements of the excitonic transitions exhibit an in-plane linear polarization anisotropy in close proximity to microcracks. The polarization anisotropy is strongly dependent on the sample temperature and the electron beam excitation conditions used to excite the QD ensemble. Localized CL spectroscopy of the QDs exhibits emissions from both the ground and excited states, whose relative contributions depend on the level of excitation and temperature. Experimental results indicate that the polarization anisotropy vanishes at high temperatures (˜300 K) with an increasing excitation of the QDs, while the anisotropy decreases more slowly with excitation at low temperatures (˜60 K). A theoretical modeling of the effect of carrier filling on the polarization anisotropy and the excitonic transition energy was performed, as based on three-dimensional self-consistent solutions of the Schrödinger and Poisson equations using the 6×6 kṡp and effective mass methods for calculations of the e-h wave functions and electron and hole quasi-Fermi levels for varying levels of state filling. We attribute carrier filling and a thermal excitation of holes into higher energy QD hole states during excitation to account for the observed gradual decrease in the polarization anisotropy with an increasing electron-hole pair excitation density at T =300 K.

Measurements of Excitation Functions and Line Polarizations for Electron Impact Excitation of the n = 2, 3 States of Atomic Hydrogen in the Energy Range 11 - 2000 eV

NASA Technical Reports Server (NTRS)

James, G. K.; Ajello, J. M.; Kanik, I.; Slevin, J.; Franklin, B.; Shemansky, D.

1993-01-01

The electron-atomic hydrogen scattering system is an important testing ground for theoretical models and has received a great deal of attention from experimentalists and theoreticians alike over the years. A complete description of the excitation process requires a knowledge of many different parameters, and experimental measurements of these parameters have been performed in various laboratories around the world. As far as total cross section data are concerned it has been noted that the discrepancy between the data of Long et al. and Williams for n = 2 excitations needs to be resolved in the interests of any further refinement of theory. We report new measurements of total cross sections and atomic line polarizations for both n=2 and n=3 excitations at energies from threshold to 2000 eV...

Electron impact ionization-excitation of Helium

NASA Astrophysics Data System (ADS)

Ancarani, Lorenzo Ugo; Gomez, A. I.; Gasaneo, G.; Mitnik, D. M.; Ambrosio, M. J.

2016-09-01

We calculate triple differential cross sections (TDCS) for the process of ionization-excitation of Helium by fast electron impact in which the residual ion is left in the n =2 excited state. We chose the strongly asymmetric kinematics used in the experiment performed by Dupré et al.. In a perturbative scheme, for high projectile energies the four-body problem reduces to a three-body one and, within that framework, we solve the time- independent Schrödinger equation with a Sturmian approach. The method, based on Generalized Sturmian Functions (GSF), is employed to obtain the initial ground state of Helium, the single-continuum state and the scattering wave function; for each of them, the GSF basis is constructed with the corresponding adequate asymptotic conditions. Besides, the method presents the following advantage: the scattering amplitudes can be extracted directly in the asymptotic region of the scattering solution, and thus the TDCS can be obtained without requiring a matrix element evaluation.

Selfconsistent vibrational and free electron kinetics for CO2 dissociation in cold plasmas

NASA Astrophysics Data System (ADS)

Capitelli, Mario

2016-09-01

The activation of CO2 by cold plasmas is receiving new theoretical interest thanks to two European groups. The Bogaerts group developed a global model for the activation of CO2 trying to reproduce the experimental values for DBD and microwave discharges. The approach of Pietanza et al was devoted to understand the dependence of electron energy distribution function (eedf) of pure CO2 on the presence of concentrations of electronically and vibrationally excited states taken as parameter. To understand the importance of the vibrational excitation in the dissociation process Pietanza et al compared an upper limit to the dissociation process from a pure vibrational mechanism (PVM) with the corresponding electron impact dissociation rate, the prevalence of the two models depending on the reduced electric field and on the choice of the electron molecule cross section database. Improvement of the Pietanza et al model is being considered by coupling the time dependent Boltzmann solver with the non equilibrium vibrational kinetics of asymmetric mode and with simplified plasma chemistry kinetics describing the ionization/recombination process and the excitation-deexcitation of a metastable level at 10.5eV. A new PVM mechanism is also considered. Preliminary results, for both discharge and post discharge conditions, emphasize the action of superelastic collisions involving both vibrationally and electronically excited states in affecting the eedf. The new results can be used to plan a road map for future developments of numerical codes for rationalizing existing experimental values, as well as, for indicating new experimental situations.

Elastic Scattering of {sup 7}Li+{sup 27}Al at Backward Angles in the 7-11 MeV Energy Range for Application in RBS

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

Carnelli, P. F. F.; Arazi, A.; Cardona, M. A.

2010-08-04

We have measured elastic excitation functions for the {sup 7}Li+{sup 27}Al system, in an energy range close to its Coulomb barrier (E{sub lab} = 8.4 MeV) in steps of 0.25 MeV. For this purpose, an array of eight surface-barrier detectors was used. To get an insight on the background composition (mainly {alpha} particles), a telescope-detector was used for atomic-number identification. Identical measurements for the {sup 6}Li+{sup 27}Al system are planned for the near future.

Analog of small Holstein polaron in hydrogen-bonded amide systems

NASA Astrophysics Data System (ADS)

Alexander, D. M.

1985-01-01

A class of amide-I (C = O stretch) related excitations and their contribution to the spectral function for infrared absorption is determined by use of the Davydov Hamiltonian. The treatment is a fully quantum, finite-temperature one. A consistent picture and a quantitative fit to the absorption data for crystalline acetanilide confirms that the model adequately explains the anomalous behavior cited by Careri et al. The localized excitation responsible for this behavior is the vibronic analog of the small Holstein polaron. The possible extension to other modes and biological relevance is examined.

Benchmark experiment for the cross section of the 100Mo(p,2n)99mTc and 100Mo(p,pn)99Mo reactions

NASA Astrophysics Data System (ADS)

Takács, S.; Ditrói, F.; Aikawa, M.; Haba, H.; Otuka, N.

2016-05-01

As nuclear medicine community has shown an increasing interest in accelerator produced 99mTc radionuclide, the possible alternative direct production routes for producing 99mTc were investigated intensively. One of these accelerator production routes is based on the 100Mo(p,2n)99mTc reaction. The cross section of this nuclear reaction was studied by several laboratories earlier but the available data-sets are not in good agreement. For large scale accelerator production of 99mTc based on the 100Mo(p,2n)99mTc reaction, a well-defined excitation function is required to optimise the production process effectively. One of our recent publications pointed out that most of the available experimental excitation functions for the 100Mo(p,2n)99mTc reaction have the same general shape while their amplitudes are different. To confirm the proper amplitude of the excitation function, results of three independent experiments were presented (Takács et al., 2015). In this work we present results of a thick target count rate measurement of the Eγ = 140.5 keV gamma-line from molybdenum irradiated by Ep = 17.9 MeV proton beam, as an integral benchmark experiment, to prove the cross section data reported for the 100Mo(p,2n)99mTc and 100Mo(p,pn)99Mo reactions in Takács et al. (2015).

Differential Alterations in Excitatory and Inhibitory Networks Involving Dentate Granule Cells Following Chronic Treatment with Distinct Classes of NMDAR Antagonists in Hippocampal Slice Cultures

DTIC Science & Technology

2010-03-08

1992; Jung and McNaughton, 1993); (2) low incidence of recurrent excitatory synapses between granule cells (Molnar and Nadler, 1999; Okazaki et al...neurons, dentate granule cells have a relatively more negative resting membrane potential and exhibit low-frequency firing (Staley et al., 1992; Jung ...inhibition plays a dual role in brain function and possibly seizure occurrence through balancing excitation and synchronizing neuronal firing. An

Structural features and the microscopic dynamics of the three-component Zr{sub 47}Cu{sub 46}Al{sub 7} system: Equilibrium melt, supercooled melt, and amorphous alloy

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

Khusnutdinoff, R. M., E-mail: khrm@mail.ru; Mokshin, A. V., E-mail: anatolii.mokshin@mail.ru; Klumov, B. A.

2016-08-15

The structural and dynamic properties of the three-component Zr{sub 47}Cu{sub 46}Al{sub 7} system are subjected to a molecular dynamics simulation in the temperature range T = 250–3000 K at a pressure p = 1.0 bar. The temperature dependences of the Wendt–Abraham parameter and the translation order parameter are used to determine the glass transition temperature in the Zr{sub 47}Cu{sub 46}Al{sub 7} system, which is found to be T{sub c} ≈ 750 K. It is found that the bulk amorphous Zr{sub 47}Cu{sub 46}Al{sub 7} alloy contains localized regions with an ordered atomic structures. Cluster analysis of configuration simulation data reveals themore » existence of quasi-icosahedral clusters in amorphous metallic Zr–Cu–Al alloys. The spectral densities of time radial distribution functions of the longitudinal (C̃{sub L}(k, ω)) and transverse (C̃{sub T}(k, ω)) fluxes are calculated in a wide wavenumber range in order to study the mechanisms of formation of atomic collective excitations in the Zr{sub 47}Cu{sub 46}Al{sub 7} system. It was found that a linear combination of three Gaussian functions is sufficient to reproduce the (C̃{sub L}(k, ω)) spectra, whereas at least four Gaussian contributions are necessary to exactly describe the (C̃{sub T}(k, ω)) spectra of the supercooled melt and the amorphous metallic alloy. It is shown that the collective atomic excitations in the equilibrium melt at T = 3000 K and in the amorphous metallic alloy at T = 250 K are characterized by two dispersion acoustic-like branches related with longitudinal and transverse polarizations.« less

Non-extensive quantum statistics with particle-hole symmetry

NASA Astrophysics Data System (ADS)

Biró, T. S.; Shen, K. M.; Zhang, B. W.

2015-06-01

Based on Tsallis entropy (1988) and the corresponding deformed exponential function, generalized distribution functions for bosons and fermions have been used since a while Teweldeberhan et al. (2003) and Silva et al. (2010). However, aiming at a non-extensive quantum statistics further requirements arise from the symmetric handling of particles and holes (excitations above and below the Fermi level). Naive replacements of the exponential function or "cut and paste" solutions fail to satisfy this symmetry and to be smooth at the Fermi level at the same time. We solve this problem by a general ansatz dividing the deformed exponential to odd and even terms and demonstrate that how earlier suggestions, like the κ- and q-exponential behave in this respect.

Synchronous Generators with Superconductive Excitation Windings,

DTIC Science & Technology

1983-07-27

AD-Al3i 832 SYNCHRONOUS GENERATORS WITH SUPERCONDUCTIVE EXCITATION i/i WINDINGS(U) FOREIGN TECHNOLOGY DIV WRIGHT-PATTERSON AFB OH W PASZEK ET AL. 27...1.1 FTD-ID(RS)T-1087-83 FOREIGN TECHNOLOGY DIVISION SYNCHRONOUS GENERATORS WITH SUPERCONDUCTIVE EXCITATION WINDINGS by W. Paszek and A. Rozycki DTIC...MICROFICHE NR: FTD-83-C-000906 j.r.voiFor SYNCHRONOUS GENERATORS WITH SUPERCONDUCTIVE T EXCITATION WINDINGS 0;~f~on~ SJustification By: W./Paszek and A

Implementation of Two-Component Time-Dependent Density Functional Theory in TURBOMOLE.

PubMed

Kühn, Michael; Weigend, Florian

2013-12-10

We report the efficient implementation of a two-component time-dependent density functional theory proposed by Wang et al. (Wang, F.; Ziegler, T.; van Lenthe, E.; van Gisbergen, S.; Baerends, E. J. J. Chem. Phys. 2005, 122, 204103) that accounts for spin-orbit effects on excitations of closed-shell systems by employing a noncollinear exchange-correlation kernel. In contrast to the aforementioned implementation, our method is based on two-component effective core potentials as well as Gaussian-type basis functions. It is implemented in the TURBOMOLE program suite for functionals of the local density approximation and the generalized gradient approximation. Accuracy is assessed by comparison of two-component vertical excitation energies of heavy atoms and ions (Cd, Hg, Au(+)) and small molecules (I2, TlH) to other two- and four-component approaches. Efficiency is demonstrated by calculating the electronic spectrum of Au20.

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.

Study of ( α , p ) and ( α , n ) reactions with a Multi-Sampling Ionization Chamber

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

Avila, M. L.; Rehm, K. E.; Almaraz-Calderon, S.

Here, a large number of (α,p) and (α, n) reactions are known to play a fundamental role in nuclear astrophysics. This work presents a novel technique to study these reactions with the active target system MUSIC whose segmented anode allows the investigation of a large energy range of the excitation function with a single beam energy. In order to verify the method, we performed direct measurements of the previously measured reactions 17O (α, n) 20Ne, 23Na (α,p) 26Mg, and 23Na 26Al. These reactions were investigated in inverse kinematics using 4He gas in the detector to study the excitation functions inmore » the energy range of about 2–6 MeV in the center of mass. We found good agreement between the cross sections of the 17O (α, n) 20Ne reaction measured in this work and previous measurements. Furthermore we have successfully performed a simultaneous measurement of the 23Na (α,p) 26Mg and 23Na (α, n) 26Al reactions.« less

Study of (α , p) and (α , n) reactions with a Multi-Sampling Ionization Chamber

NASA Astrophysics Data System (ADS)

Avila, M. L.; Rehm, K. E.; Almaraz-Calderon, S.; Ayangeakaa, A. D.; Dickerson, C.; Hoffman, C. R.; Jiang, C. L.; Kay, B. P.; Lai, J.; Nusair, O.; Pardo, R. C.; Santiago-Gonzalez, D.; Talwar, R.; Ugalde, C.

2017-07-01

A large number of (α , p) and (α , n) reactions are known to play a fundamental role in nuclear astrophysics. This work presents a novel technique to study these reactions with the active target system MUSIC whose segmented anode allows the investigation of a large energy range of the excitation function with a single beam energy. In order to verify the method, we performed direct measurements of the previously measured reactions 17O (α , n) 20Ne, 23Na (α , p) 26Mg, and 23Na (α , n) 26Al. These reactions were investigated in inverse kinematics using 4He gas in the detector to study the excitation functions in the energy range of about 2-6 MeV in the center of mass. We found good agreement between the cross sections of the 17O (α , n) 20Ne reaction measured in this work and previous measurements. Furthermore we have successfully performed a simultaneous measurement of the 23Na (α , p) 26Mg and 23Na (α , n) 26Al reactions.

Study of ( α , p ) and ( α , n ) reactions with a Multi-Sampling Ionization Chamber

DOE PAGES

Avila, M. L.; Rehm, K. E.; Almaraz-Calderon, S.; ...

2017-04-03

Here, a large number of (α,p) and (α, n) reactions are known to play a fundamental role in nuclear astrophysics. This work presents a novel technique to study these reactions with the active target system MUSIC whose segmented anode allows the investigation of a large energy range of the excitation function with a single beam energy. In order to verify the method, we performed direct measurements of the previously measured reactions 17O (α, n) 20Ne, 23Na (α,p) 26Mg, and 23Na 26Al. These reactions were investigated in inverse kinematics using 4He gas in the detector to study the excitation functions inmore » the energy range of about 2–6 MeV in the center of mass. We found good agreement between the cross sections of the 17O (α, n) 20Ne reaction measured in this work and previous measurements. Furthermore we have successfully performed a simultaneous measurement of the 23Na (α,p) 26Mg and 23Na (α, n) 26Al reactions.« less

Effects of long-term bed rest on H-reflex and motor evoked potential in lower leg muscles during standing.

PubMed

Yamanaka, K; Yamamoto, S; Nakazawa, K; Yano, H; Suzuki, Y; Fukunaga, T

1999-07-01

Maximal H-reflex amplitude (Hmax) compared with maximal M-response (Mmax) has been generally used to assess the efficacy of the monosynaptic transmission from Ia afferents to alpha motoneurons in spinal cord. In previous studies, it has been demonstrated that H-reflex in soleus muscle (SOL) is inhibited during free standing due to an increase in presynaptic inhibition of the Ia afferent terminals to SOL motoneurones (Katz et al. 1988, Koceja et al. 1993). Transcranial magnetic stimulation (TMS) of human motor cortex excites the corticospinal system monosynapticaly connecting to spinal alpha motoneurones. However, it is not clear whether or not the motor evoked potentials (MEPs) in SOL and tibialis anterior (TA) muscles induced by TMS are modulated during standing (Ackermann et al. 1991, Lavoie et al. 1995). Considering that postural control functions change with exposure to weightlessness, we supposed that the excitability of SOL and TA spinal motoneurons from Ia afferents and/or corticospinal tracts during free standing would change after long-term bed rest (BR). The aim of this study was to investigate the effect of BR on H-reflex and MEP in SOL and TA during free standing.

First-forbidden β decay of ^17N and ^17Ne.

NASA Astrophysics Data System (ADS)

Millener, D. J.

1997-04-01

By measuring positrons in coincidence with 495-keV γ rays de-exciting the 1/2^+ first-excited state of ^17F, Borge et al.(M. J. B. Borge et al.), Phys. Lett. B 317, 25 (1993). have obtained a branch of 1.65(16)% for the first-forbidden β^+ decay of ^17Ne to the 1/2^+ state. This is a very interesting result because the measured branch is roughly a factor of two larger than expected on the basis of nuclear matrix elements which reproduce the corresponding β^- branch of 3.0%(A. R. Poletti and J. G. Pronko, Phys. Rev. C 8), 1285 (1973);D. E. Alburger and D. H. Wilkinson, Phys. Rev. C 13, 835 (1976). in the decay of ^17N. Recently, Ozawa et al.(A. Ozawa et al.), preprint RIKEN-AF-NP-238. have confirmed the magnitude of the β branch in ^17Ne decay, obtaining a value of 1.44(16)% by a method which utilizes a 32 MeV/A radioactive beam of ^17Ne. It is shown that differences, due to charge-dependent effects, in the ^17N and ^17Ne ground-state wave functions account for both β-decay branches.

Fast shuttling of a particle under weak spring-constant noise of the moving trap

NASA Astrophysics Data System (ADS)

Lu, Xiao-Jing; Ruschhaupt, A.; Muga, J. G.

2018-05-01

We investigate the excitation of a quantum particle shuttled in a harmonic trap with weak spring-constant colored noise. The Ornstein-Uhlenbeck model for the noise correlation function describes a wide range of possible noises, in particular for short correlation times the white-noise limit examined by Lu et al. [Phys. Rev. A 89, 063414 (2014)], 10.1103/PhysRevA.89.063414 and, by averaging over correlation times, "1 /f flicker noise." We find expressions for the excitation energy in terms of static (independent of trap motion) and dynamical sensitivities, with opposite behavior with respect to shuttling time, and demonstrate that the excitation can be reduced by proper process timing and design of the trap trajectory.

Cross Sections for the Production of Cosmogenic Nuclides with Protons up to 400 MeV for the Interpretation of Cosmic-Ray-produced Nuclides

NASA Astrophysics Data System (ADS)

Schiekel, Th.; Rosel, R.; Herpers, U.; Bodemann, R.; Leya, I.; Gloris, M.; Michel, R.; Dittrich, B.; Kubik, P.; Suter, M.

1993-07-01

Integral excitation functions of the cosmogenic nuclides are the basic requirement for the interpretation of interactions between cosmic ray particles and extraterrestrial and terrestrial matter. Together with the knowledge of primary and secondary particle fields inside an irradiated body, model calculations can be developed to interpret abundances of cosmogenic nuclides in dependencies of the irradiation history of the irradiated body and of the cosmic particle ray itself. The quality of those model calculations depends on the quality of the available cross-section database, which is neither comprehensive nor reliable for the most important nuclides like the long-lived radionuclides (i.e., 10Be, 26Al, 36Cl, 41Ca) and the stable rare gas isotopes. For a systematic investigation in this field of science we carried out several irradiation experiments with protons in the energy region between 45 MeV and 400 MeV at the Paul Scherrer Institut (Villigen, Switzerland) and the Laboratoire Nationale Saturne (Saclay, France) using the stacked foil technique. We included 21 different target elements with Z between 6 and 79 (C, N as Si3N4, O as SiO2, Mg, Al, Si, Ca as CaC2H2O4, Ti, V, Mn as Mn/Ni alloy, Fe, Co, Ni, Cu, Sr as SrF2, Y, Zr, Nb, Rh, Ba as Ba containing glass and Au) in our experiments. The proton fluxes were monitored via the reaction 27Al(p,3p3n)22Na using the evaluated data of [1]. Residual nuclides were measured by X-, gamma-, and after a chemical separation by accelerator mass spectrometry. In order to check the quality of our experimental procedures we included some target elements in our new experiments for which consistent excitation functions have already been determined [2,3,4]. Our new data show excellent agreement with the earlier measurements. We measured cross sections for more than 120 different reactions. Here we report on the results for target elements with Z up to 28. The exsisting database of experimental excitation functions for the production of some radionuclides relevant for cosmic ray interactions with extraterrestrial and terrestrial matter, i.e., 7Be, 10Be, 22Na, 26Al, and 36Cl is discussed in detail. By a comparison of our new cross-section database with theoretical calculations, the ability to predict unknown excitation functions on the basis of equilibrium and preequilibrium reactions (code ALICE) and an internuclear cascade evaporation model (code HETC) is analyzed. The new data are applied to model calculations for the production of long-lived radionuclides by solar cosmic rays in lunar surface materials and in meteorites. Acknowledgment: This work was supported by the Deutsche Forschungsgemeinschaft and by the Swiss National Science Foundation. References: [1] Tobailem J. and de Lassus St. Genies C. H. (1981) CEA-N-1466. [2] Michel R. et al. (1984) JGR, 89, B673-B684. [3] Michel R. et al. (1985) Nucl. Phys., A441, 617-639. [4] Luepke M. et al. (1992) in Nuclear Data for Science and Technology (S. M. Qaim, ed.), 702, Springer Verlag.

Photoelectron Energy Loss in Al(002) Revisited: Retrieval of the Single Plasmon Loss Energy Distribution by a Fourier Transform Method

NASA Astrophysics Data System (ADS)

Santana, Victor Mancir da Silva; David, Denis; de Almeida, Jailton Souza; Godet, Christian

2018-06-01

A Fourier transform (FT) algorithm is proposed to retrieve the energy loss function (ELF) of solid surfaces from experimental X-ray photoelectron spectra. The intensity measured over a broad energy range towards lower kinetic energies results from convolution of four spectral distributions: photoemission line shape, multiple plasmon loss probability, X-ray source line structure and Gaussian broadening of the photoelectron analyzer. The FT of the measured XPS spectrum, including the zero-loss peak and all inelastic scattering mechanisms, being a mathematical function of the respective FT of X-ray source, photoemission line shape, multiple plasmon loss function, and Gaussian broadening of the photoelectron analyzer, the proposed algorithm gives straightforward access to the bulk ELF and effective dielectric function of the solid, assuming identical ELF for intrinsic and extrinsic plasmon excitations. This method is applied to aluminum single crystal Al(002) where the photoemission line shape has been computed accurately beyond the Doniach-Sunjic approximation using the Mahan-Wertheim-Citrin approach which takes into account the density of states near the Fermi level; the only adjustable parameters are the singularity index and the broadening energy D (inverse hole lifetime). After correction for surface plasmon excitations, the q-averaged bulk loss function, q , of Al(002) differs from the optical value Im[- 1 / ɛ( E, q = 0)] and is well described by the Lindhard-Mermin dispersion relation. A quality criterion of the inversion algorithm is given by the capability of observing weak interband transitions close to the zero-loss peak, namely at 0.65 and 1.65 eV in ɛ( E, q) as found in optical spectra and ab initio calculations of aluminum.

Photoelectron Energy Loss in Al(002) Revisited: Retrieval of the Single Plasmon Loss Energy Distribution by a Fourier Transform Method

NASA Astrophysics Data System (ADS)

Santana, Victor Mancir da Silva; David, Denis; de Almeida, Jailton Souza; Godet, Christian

2018-04-01

A Fourier transform (FT) algorithm is proposed to retrieve the energy loss function (ELF) of solid surfaces from experimental X-ray photoelectron spectra. The intensity measured over a broad energy range towards lower kinetic energies results from convolution of four spectral distributions: photoemission line shape, multiple plasmon loss probability, X-ray source line structure and Gaussian broadening of the photoelectron analyzer. The FT of the measured XPS spectrum, including the zero-loss peak and all inelastic scattering mechanisms, being a mathematical function of the respective FT of X-ray source, photoemission line shape, multiple plasmon loss function, and Gaussian broadening of the photoelectron analyzer, the proposed algorithm gives straightforward access to the bulk ELF and effective dielectric function of the solid, assuming identical ELF for intrinsic and extrinsic plasmon excitations. This method is applied to aluminum single crystal Al(002) where the photoemission line shape has been computed accurately beyond the Doniach-Sunjic approximation using the Mahan-Wertheim-Citrin approach which takes into account the density of states near the Fermi level; the only adjustable parameters are the singularity index and the broadening energy D (inverse hole lifetime). After correction for surface plasmon excitations, the q-averaged bulk loss function, q , of Al(002) differs from the optical value Im[- 1 / ɛ(E, q = 0)] and is well described by the Lindhard-Mermin dispersion relation. A quality criterion of the inversion algorithm is given by the capability of observing weak interband transitions close to the zero-loss peak, namely at 0.65 and 1.65 eV in ɛ(E, q) as found in optical spectra and ab initio calculations of aluminum.

Common Molecular Pathways in Amyotrophic Lateral Sclerosis and Frontotemporal Dementia.

PubMed

Weishaupt, Jochen H; Hyman, Tony; Dikic, Ivan

2016-09-01

Amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD) are age-related neurodegenerative diseases in which predominantly motor neurons and cerebral cortex neurons, respectively, are affected. Several novel ALS and FTD disease genes have been recently discovered, pointing toward a few overarching pathways in ALS/FTD pathogenesis. Nevertheless, a precise picture of how various cellular processes cause neuronal death, or how different routes leading to ALS and FTD are functionally connected is just emerging. Moreover, how the most recent milestone findings in the ALS/FTD field might lead to improved diagnosis and treatment is actively being explored. We highlight some of the most exciting recent topics in the field, which could potentially facilitate the identification of further links between the pathogenic ALS/FTD pathways related to autophagy, vesicle trafficking, and RNA metabolism. Copyright © 2016 Elsevier Ltd. All rights reserved.

Pseudo Jahn-Teller coupling in trioxides XO3(0,1,-1) with 22 and 23 valence electrons

NASA Astrophysics Data System (ADS)

Grein, Friedrich

2013-05-01

D3h and C2v geometries and energies, vertical excitation energies, as well as minimal energy paths as function of the O1(z)-X-O2 angle α were obtained for XO3(0,1,-1) (X = B, Al, Ga; C, Si, Ge; N, P, As; S, Se) molecules and ions with 22 and 23 valence electrons (VE), using density functional theory (DFT), coupled cluster with single and double substitutions with noniterative triple excitations (CCSD(T)), equation of motion (EOM)-CCSD, time-dependent DFT, and multi-reference configuration interaction methods. It is shown that pseudo Jahn-Teller (PJT) coupling increases as the central atom X becomes heavier, due to decreases in excitation energies. As is well known for CO3, the excited 1E' states of the 22 VE systems SiO3, GeO3; NO_3 ^ +, PO3+, AsO3+; BO3-, AlO3-, GaO3- have strong vibronic coupling with the 1A1' ground state via the e' vibrational modes, leading to a C2v minimum around α = 145°. For first and second row X atoms, there is an additional D3h minimum (α = 120°). Interacting excited states have minima around 135°. In the 23 VE systems CO3-, SiO3-; NO3, PO3; SO3+, coupling of the excited 2E' with the 2A2' ground state via the e' mode does not generate a C2v state. Minima of interacting excited states are close to 120°. However, due to very strong PJT coupling, a double-well potential is predicted for GeO3-, AsO3, and SeO3+, with a saddle point at D3h symmetry. Interaction of the b2 highest occupied molecular orbital with the b2 lowest unoccupied molecular orbital, both oxygen lone pair molecular orbitals, is seen as the reason for the C2v stabilization of 22 VE molecules.

The electronic properties of potassium doped copper-phthalocyanine studied by electron energy-loss spectroscopy.

PubMed

Flatz, K; Grobosch, M; Knupfer, M

2007-06-07

The authors have studied the electronic structure of potassium doped copper-phthalocyanine using electron energy-loss spectroscopy. The evolution of the loss function indicates the formation of distinct KxCuPc phases. Taking into account the C1s and K2p core level excitations and recent results by Giovanelli et al. [J. Chem. Phys. 126, 044709 (2007)], they conclude that these are K2CuPc and K4CuPc. They discuss the changes in the electronic excitations upon doping on the basis of the molecular electronic levels and the presence of electronic correlations.

Nonradiative relaxation in tunable solid state laser crystals

NASA Technical Reports Server (NTRS)

Gayen, S. K.; Wang, W. B.; Petricevic, V.; Alfano, R. R.

1986-01-01

The characteristics of nonradiative transitions between the 4T2 and 2E excited states of trivalent-chromium-ion-activated ruby (containing 0.04 percent Cr2O3 by weight) and alexandrite (containing 0.4 at. percent chromium ion) laser crystals were studied using the technique described by Gayen et al. (1985). In this technique, a 527-nm pulse excites the 4T2 band of the Cr(3+), and the subsequent population kinetics among excited states is monitored by an IR picosecond probe pulse as a function of pump-probe delay. In ruby, a resolution-limited sharp rise in the excited state population was followed by a long-lifetime decay, leading to an upper limit of 7 ps for the 4T2-state nonradiative lifetime. In alexandrite, a longer rise time was followed by a multicomponent decay. A theoretical model is proposed for explaining the induced absorption and the transition dynamics observed in these crystals.

Physics of Unstable Nuclei

NASA Astrophysics Data System (ADS)

Khoa, Dao Tien; Egelhof, Peter; Gales, Sydney; Giai, Nguyen Van; Motobayashi, Tohru

2008-04-01

Studies at the RIKEN RI beam factory / T. Motobayashi -- Dilute nuclear states / M. Freer -- Studies of exotic systems using transfer reactions at GANIL / D. Beaumel et al. -- First results from the Magnex large-acceptance spectrometer / A. Cunsolo et al. -- The ICHOR project and spin-isospin physics with unstable beams / H. Sakai -- Structure and low-lying states of the [symbol]He exotic nucleus via direct reactions on proton / V. Lapoux et al. -- Shell gap below [symbol]Sn based on the excited states in [symbol]Cd and [symbol]In / M. Górska -- Heavy neutron-rich nuclei produced in the fragmentation of a [symbol]Pb beam / Zs. Podolyák et al. -- Breakup and incomplete fusion in reactions of weakly-bound nuclei / D.J. Hinde et al. -- Excited states of [symbol]B and [symbol]He and their cluster aspect / Y. Kanada-En'yo et al. -- Nuclear reactions with weakly-bound systems: the treatment of the continuum / C. H. Dasso, A. Vitturi -- Dynamic evolution of three-body decaying resonances / A. S. Jensen et al. -- Prerainbow oscillations in [symbol]He scattering from the Hoyle state of [symbol]C and alpha particle condensation / S. Ohkubo, Y. Hirabayashi -- Angular dispersion behavior in heavy ion elastic scattering / Q. Wang et al. -- Microscopic optical potential in relativistic approach / Z.Yu. Ma et al. -- Exotic nuclei studied in direct reactions at low momentum transfer - recent results and future perspectives at fair / P. Egelhof -- Isotopic temperatures and symmetry energy in spectator fragmentation / M. De Napoli et al. -- Multi-channel algebraic scattering theory and the structure of exotic compound nuclei / K. Amos et al. -- Results for the first feasibility study for the EXL project at the experimental storage ring at GSI / N. Kalantar-Nayestanaki et al. -- Coulomb excitation of ISOLDE neutron-rich beams along the Z = 28 chain / P. Van Duppen -- The gamma decay of the pygmy resonance far from stability and the GDR at finite temperature / G. Benzoni et al. -- Thermal pairing in nuclei / N. D. Dang -- Molecular-orbital and di-nuclei states in Ne and F isotopes / M. Kimura -- Low-momentum interactions for nuclei / A. Schwenk -- Nonrelativistic nuclear energy functionals including the tensor force / G. Colo et al. -- New aspects on dynamics in nuclei described by covariant density functional theory / P. Ring, D. Pena -- Theoretical studies on ground-state properties of superheavy nuclei / Z. Z. Ren et al. -- New results in the study of superfluid nuclei: many-body effects, spectroscopic factors / P. F. Bortignon et al. -- New Effective nucleon-nucleon interaction for the mean-field approximation / V. K. Au et al. -- Linear response calculations with the time-dependent Skyrme density functional / T. Nakatsukasa et al. -- Dissipative dynamics with exotic beams / M. Di Toro et al. -- Exploring the symmetry energy of asymmetric nuclear matter with heavy ion reactions / M. B. Tsang -- Invariant mass spectroscopy of halo nuclei / T. Nakamura et al. -- Core [symbol] structures in [symbol]C, [symbol]C and [symbol]C up to high excitation energies / H. G. Bohlen et al. -- Light neutron-rich nuclei studied by alpha-induced reactions / S. Shimoura -- Fusion and direct reactions around the Coulomb barrier for the system [symbol]He + [symbol]Zn / V. Scuderi et al. -- Analyzing power measurement for proton elastic scattering on [symbol]He / S. Sakaguchi et al. -- Knockout reaction spectroscopy of exotic nuclei / J. A. Tostevin -- Exotic nuclei, quantum phase transitions, and the evolution of structure / R. F. Casten -- Structure of exotic nuclei in the medium mass region / T. Otsuka -- Pairing correlations in halo nuclei / H. Sagawa, K. Hagino -- Experimental approach to high-temperature Stellar reactions with low-energy RI beams / S. Kubono et al. -- Transition to quark matter in neutron stars / G. X. Peng et al. -- Research at VATLY: main themes and recent results / P. N. Diep et al. -- Study of the astrophysical reaction [symbol]C([symbol], n)[symbol]O by the transfer reaction [symbol]C([symbol]Li, t)[symbol]O / F. Hammache et al. -- SPIRAL2 at GANIL: a world of leading ISOL facility for the physics of exotic nuclei / S. Gales -- Magnetic properties of light neutron-rich nuclei and shell evolution / T. Suzuki, T. Otsuka -- Multiple scattering effects in elastic and quasi free proton scattering from halo nuclei / R. Crespo et al. -- The dipole response of neutron halos and skins / T. Aumann -- Giant and pygmy resonances within axially-symmetric-deformed QRPA with the Gogny force / S. Péru, H. Goutte -- Soft K[symbol] = O+ modes unique to deformed neutron-rich unstable nuclei / K. Yoshida et al. -- Synthesis, decay properties, and identification of superheavy nuclei produced in [symbol]Ca-induced reactions / Yu. Ts. Oganessian et al. -- Highlights of the Brazilian RIB facility and its first results and hindrance of fusion cross section induced by [symbol]He / P. R. S. Gomes et al. -- Search for long fission times of super-heavy elements with Z = 114 / M. Morjean et al. -- Microscopic dynamics of shape coexistence phenomena around [symbol]Se and [symbol]Kr / N. Hinohara et al. -- [symbol]-cluster states and 4[symbol]-particle condensation in [symbol]O / Y. Funaki et al. -- Evolution of the N = 28 shell closure far from stability / O. Sorlin et al. -- Continuum QRPA approach and the surface di-neutron modes in nuclei near the neutron drip-line / M. Matsuo et al. -- Deformed relativistic Hartree-Bogoliubov model for exotic nuclei / S. G. Zhou et al. -- Two- and three-body correlations in three-body resonances and continuum states / K. Katō, K. Ikeda -- Pion- and Rho-Meson effects in relativistic Hartree-Fock and RPA / N. V. Giai et al. -- Study of the structure of neutron rich nuclei by using [symbol]-delayed neutron and gamma emission method / Y. Ye et al. -- Production of secondary radioactive [symbol] Na beam for the study of [symbol]Na([symbol], p)[symbol]Mg stellar reaction / D. N. Binh et al. -- Asymmetric nuclear matter properties within the Brueckner theory / W. Zuo et al. -- Study of giant dipole resonance in continuum relativistic random phase approximation / D. Yang et al. -- Chiral bands for quasi-proton and quasi-neutron coupling with a triaxial rotor / B. Qi et al. -- Continuum properties of the Hartree-Fock mean field with finite-range interactions / H. S. Than et al. -- A study of pairing interaction in a separable form / Y. Tian et al. -- Microscopic study of the inelastic [symbol]+[symbol]C scattering / D. C. Cuong, D. T. Khoa -- Probing the high density behavior of the symmetry energy / F. Zhang et al. -- Microscopic calculations based on a Skyrme functional plus the pairing contribution / J. Li et al. -- In-medium cross sections in Dirac-Brueckner-Hartree-Fock approach / L. Peiyan et al. -- The effect of the tensor force on single-particle states and on the isotope shift / W. Zou et al. -- [symbol]Ne excited states two-proton decay / M. De Napoli et al. -- The isomeric ratio and angular momentum of fragment [symbol]Xe in photofission of heavy nuclei / T. D. Thiep et al. -- Search for correlated two-nucleon systems in [symbol]Li and [symbol]He nuclei via one-nucleon exchange reaction / N. T. Khai et al. -- Summary talk of ISPUN07 / N. Alamanos.

Rotation of a Single Acetylene Molecule on Cu(001) by Tunneling Electrons in STM

NASA Astrophysics Data System (ADS)

Shchadilova, Yulia E.; Tikhodeev, Sergei G.; Paulsson, Magnus; Ueba, Hiromu

2013-11-01

We study the elementary processes behind one of the pioneering works on scanning tunneling microscope controlled reactions of single molecules [Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)]. Using the Keldysh-Green function approach for the vibrational generation rate in combination with density functional theory calculations to obtain realistic parameters we reproduce the experimental rotation rate of an acetylene molecule on a Cu(100) surface as a function of bias voltage and tunneling current. This combined approach allows us to identify the reaction coordinate mode of the acetylene rotation and its anharmonic coupling with the C-H stretch mode. We show that three different elementary processes, the excitation of C-H stretch, the overtone ladder climbing of the hindered rotational mode, and the combination band excitation together explain the rotation of the acetylene molecule on Cu(100).

Extended methods using thick-targets for nuclear reaction data of radioactive isotopes

NASA Astrophysics Data System (ADS)

Ebata, Shuichiro; Aikawa, Masayuki; Imai, Shotaro

2017-09-01

The nuclear transmutation is a technology to dispose of radioactive wastes. However, we do not have enough basic data for its developments, such as thick-target yields (TTY) and the interaction cross sections for radioactive material. We suggest two methods to estimate the TTY using inverse kinematics and to obtain the excitation function of the interaction cross sections which is named the thick-target transmission (T3) method. We deduce the energy-dependent conversion relation between the TTYs of the original system and its inverse kinematics, which can be replaced to a constant coefficient in the high energy region. Furthermore we show the usefulness of the T3 method to investigate the excitation function of the 12C + 27Al reaction in the simulation.

Accurate atomic data for xenon: energy levels, oscillator strengths, and electron collision cross sections

NASA Astrophysics Data System (ADS)

Bartschat, Klaus; Zatsarinny, Oleg

2009-10-01

We have applied our recently developed fully relativistic Dirac B-spline R-matrix (DBSR) code [1] to calculate the atomic structure (energy levels and oscillator strengths) as well as electron scattering from xenon atoms. Results from a 31-state close-coupling model for the excitation function of the metastable (5p^5 6s) J=0,2 states show excellent agreement with experiment [2], thereby presenting a significant improvement over the most sophisticated previous Breit-Pauli calculations [3,4]. The same model is currently being used to calculate electron-impact excitation from the metastable J=2 state. The results will be compared with recent experimental data [5] and predictions from other theoretical models [6,7]. Our dataset is an excellent basis for modeling plasma discharges containing xenon.[0pt] [1] O. Zatsarinny and K. Bartschat, Phys. Rev. A 77 (2008) 062701.[0pt] [2] S. J. Buckman et al., J. Phys. B 16 (1983) 4219.[0pt] [3] A. N. Grum-Grzhimailo and K. Bartschat, J. Phys. B 35 (2002) 3479.[0pt] [4] M. Allan et al., Phys. Rev. A 74 (2006) 030701(R).[0pt] [5] R. O. Jung et al., Phys. Rev. A 72 (2005) 022723.[0pt] [6] R. Srivastava et al., Phys. Rev. A 74 (2006) 012715.[0pt] [7] J. Jiang et al., J. Phys. B 41 (2008) 245204.

Self-excitation of single nanomechanical pillars

NASA Astrophysics Data System (ADS)

Kim, Hyun S.; Qin, Hua; Blick, Robert H.

2010-03-01

Self-excitation is a mechanism that is ubiquitous for electromechanical power devices such as electrical generators. This is conventionally achieved by making use of the magnetic field component in electrical generators (Nedic and Lipo 2000 IEEE/IAS Conf. Records (Rome, Italy) vol 1 pp 51-6), a good and widely visible example of which is the wind turbine farm (Muljadi et al 2005 J. Sol. Energy Eng. 127 581-7). In other words, a static force, such as the wind acting on rotor blades, can generate a resonant excitation at a certain mechanical frequency. For nanomechanical systems (Craighead 2000 Science 290 1532-5 Roukes 2001 Phys. World 14 25-31 Cleland 2003 Foundations of Nanomechanics (Berlin: Springer); Ayari et al 2007 Nano Lett. 7 2252-7 Koenig et al 2008 Nat. Nanotechnol. 3 482-4) such a self-excitation (SE) mechanism is also highly desirable, because it can generate mechanical oscillations at radio frequencies by simply applying a dc bias voltage. This is of great importance for low-power signal communication devices and detectors, as well as for mechanical computing elements. For a particular nanomechanical system—the single electron shuttle—this effect was predicted some time ago by Gorelik et al (Phys. Rev. Lett. 80 4526-9). Here, we use a nanoelectromechanical single electron transistor (NEMSET) to demonstrate self-excitation for both the soft and hard regimes, respectively. The ability to use self-excitation in nanomechanical systems may enable the detection of quantum mechanical backaction effects (Naik et al 2006 Nature 443 193-6) in direct tunneling, macroscopic quantum tunneling (Savelev et al 2006 New J. Phys. 8 105-15) and rectification (Pistolesi and Fazio 2005 Phys. Rev. Lett. 94 036806-4). All these effects have so far been overshadowed by the large driving voltages that had to be applied.

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

Tsai, Mu-Tsun, E-mail: mttsai@ms23.hinet.net; Chang, Yee-Shin; Chou, You-Hsin

A blue-emitting phosphor of titanium-doped zinc spinel (ZnAl{sub 2}O{sub 4}:Ti; Ti=0–6.0 mol% in relation to Al) nanopowders was prepared by a simple sol–gel method. On annealing at 1000 °C, single-phase ZnAl{sub 2}O{sub 4}:Ti powders had primary particles of 25–30 nm in size and most Ti ions in the form of Ti{sup 4+}. Under UV excitation at 280 nm, a strong and broad blue emission centered at 435 nm was observed. The sources of the excitation and emission were assigned to the charge-transfer excitation and recombination between O{sup 2–}–Ti{sup 4+} and Ti{sup 3+}–O{sup –} ion pairs. Optimum brightness occurred at amore » doping of 2.0 mol% Ti. The decay lifetime of ZnAl{sub 2}O{sub 4}:2%Ti was calculated to be 3.0 ms for the blue emission with CIE coordinates of x=0.168 and y=0.153. The results suggest that ZnAl{sub 2}O{sub 4}:Ti is a promising candidate for application as a blue component phosphor for UV-converting white light-emitting diodes. - Graphical abstract: The absorption band around 270 nm is associated with the charge-transfer processes between octahedral Ti{sup 4+} and O{sup 2−} ions. The excitation band around 280 nm corresponds to the charge-transfer excitations from O{sup 2–}(2p){sup 6} electrons to Ti{sup 4+} (3d{sup 0}). Under 280 nm excitation, the PL spectrum shows a strong blue emission with a peak at around 435 nm. - Highlights: • Single-phase ZnAl{sub 2}O{sub 4}:Ti nanocrystals have been synthesized by a sol–gel process. • Under UV excitation at 280 nm, the blue emission centered at 435 nm is observed. • Blue emission is attributed to a charge-transfer transition involving the Ti{sup 4+} ions.« less

Sensitivity tests on the rates of the excited states of positron decays during the rapid proton capture process of the one-zone X-ray burst model

NASA Astrophysics Data System (ADS)

Lau, Rita

2018-02-01

In this paper, we investigate the sensitivities of positron decays on a one-zone model of type-I X-ray bursts. Most existing studies have multiplied or divided entire beta decay rates (electron captures and beta decay rates) by 10. Instead of using the standard Fuller & Fowler (FFNU) rates, we used the most recently developed weak library rates [1], which include rates from Langanke et al.'s table (the LMP table) (2000) [2], Langanke et al.'s table (the LMSH table) (2003) [3], and Oda et al.'s table (1994) [4] (all shell model rates). We then compared these table rates with the old FFNU rates [5] to study differences within the final abundances. Both positron decays and electron capture rates were included in the tables. We also used pn-QRPA rates [6,7] to study the differences within the final abundances. Many of the positron rates from the nuclei's ground states and initial excited energy states along the rapid proton capture (rp) process have been measured in existing studies. However, because temperature affects the rates of excited states, these studies should have also acknowledged the half-lives of the nuclei's excited states. Thus, instead of multiplying or dividing entire rates by 10, we studied how the half-lives of sensitive nuclei in excited states affected the abundances by dividing the half-lives of the ground states by 10, which allowed us to set the half-lives of the excited states. Interestingly, we found that the peak of the final abundance shifted when we modified the rates from the excited states of the 105Sn positron decay rates. Furthermore, the abundance of 80Zr also changed due to usage of pn-QRPA rates instead of weak library rates (the shell model rates).

Structure and photoluminescence studies of CeO2·CuAlO2 mixed metal oxide fabricated by co-precipitation method.

PubMed

Subhan, Md Abdus; Ahmed, Tanzir; Awal, M R; Kim, B Moon

2015-01-25

A novel mixed metal oxide, CeO2·CuAlO2 was fabricated by co-precipitation method in aqueous medium. CeO2·CuAlO2 was characterized by XRD, SEM, EDS, TEM, FTIR and PL spectra. The optical properties of the nanoparticles were studied by photoluminescence (PL) spectra. PL spectra at different excitations were recorded. The composite showed emission in UV, visible and NIR region depending on the excitation wavelength. The special spectral feature observed for this composite is that it showed six emission bands at 364, 409, 434, 448, 465 and 481 nm when excited at 298 nm. The green and red emissions observed at 512 and 669 nm are originated from cubic CeO2 phase when excited at 450 nm. The PL spectra were found to be dependent on excitation wavelength violating Kasha's rule. The X-ray diffraction reveals a cubic CeO2 phase and hexagonal CuAlO2 phase. EDS spectra revealed the presence of cerium (Ce), copper (Cu), aluminum (Al) and oxygen (O) elements. The particle size of the CeO2·CuAlO2 mixed oxide was estimated using Scherrer's formula, which was found to be in the range of 17.2-34.2 nm. The TEM image showed particles are almost uniform size of approximately 15-50 nm with spherical morphology. Copyright © 2014 Elsevier B.V. All rights reserved.

Structure and photoluminescence studies of CeO2·CuAlO2 mixed metal oxide fabricated by co-precipitation method

NASA Astrophysics Data System (ADS)

Subhan, Md Abdus; Ahmed, Tanzir; Awal, M. R.; Kim, B. Moon

2015-01-01

A novel mixed metal oxide, CeO2·CuAlO2 was fabricated by co-precipitation method in aqueous medium. CeO2·CuAlO2 was characterized by XRD, SEM, EDS, TEM, FTIR and PL spectra. The optical properties of the nanoparticles were studied by photoluminescence (PL) spectra. PL spectra at different excitations were recorded. The composite showed emission in UV, visible and NIR region depending on the excitation wavelength. The special spectral feature observed for this composite is that it showed six emission bands at 364, 409, 434, 448, 465 and 481 nm when excited at 298 nm. The green and red emissions observed at 512 and 669 nm are originated from cubic CeO2 phase when excited at 450 nm. The PL spectra were found to be dependent on excitation wavelength violating Kasha's rule. The X-ray diffraction reveals a cubic CeO2 phase and hexagonal CuAlO2 phase. EDS spectra revealed the presence of cerium (Ce), copper (Cu), aluminum (Al) and oxygen (O) elements. The particle size of the CeO2·CuAlO2 mixed oxide was estimated using Scherrer's formula, which was found to be in the range of 17.2-34.2 nm. The TEM image showed particles are almost uniform size of approximately 15-50 nm with spherical morphology.

Luminescent properties of Al2O3:Ce single crystalline films under synchrotron radiation excitation

NASA Astrophysics Data System (ADS)

Zorenko, Yu.; Zorenko, T.; Gorbenko, V.; Savchyn, V.; Voznyak, T.; Fabisiak, K.; Zhusupkalieva, G.; Fedorov, A.

2016-09-01

The paper is dedicated to study the luminescent and scintillation properties of the Al2O3:Ce single crystalline films (SCF) grown by LPE method onto saphire substrates from PbO based flux. The structural quality of SCF samples was investigated by XRD method. For characterization of luminescent properties of Al2O3:Ce SCFs the cathodoluminescence spectra, scintillation light yield (LY) and decay kinetics under excitation by α-particles of Pu239 source were used. We have found that the scintillation LY of Al2O3:Ce SCF samples is relatively large and can reach up to 50% of the value realized in the reference YAG:Ce SCF. Using the synchrotron radiation excitation in the 3.7-25 eV range at 10 K we have also determined the basic parameters of the Ce3+ luminescence in Al2O3 host.

Subcycle dynamics of high-order-harmonic generation of He atoms excited by attosecond pulses and driven by near-infrared laser fields: A self-interaction-free time-dependent density-functional-theory approach

NASA Astrophysics Data System (ADS)

Heslar, John; Telnov, Dmitry A.; Chu, Shih-I.

2014-05-01

In the framework of the self-interaction-free time-dependent density-functional theory, we have performed three-dimensional (3D) ab initio calculations of He atoms in near-infrared (NIR) laser fields subject to excitation by a single extreme ultraviolet (XUV) attosecond pulse (SAP). We have explored the dynamical behavior of the subcycle high harmonic generation (HHG) for transitions from the excited states to the ground state and found oscillation structures with respect to the time delay between the SAP and NIR fields. The oscillatory pattern in the photon emission spectra has a period of ˜1.3 fs which is half of the NIR laser optical cycle, similar to that recently measured in the experiments on transient absorption of He [M. Chini et al., Sci. Rep. 3, 1105 (2013), 10.1038/srep01105]. We present the photon emission spectra from 1s2p, 1s3p, 1s4p, 1s5p, and 1s6p excited states as functions of the time delay. We explore the subcycle Stark shift phenomenon in NIR fields and its influence on the photon emission process. Our analysis reveals several interesting features of the subcycle HHG dynamics and we identify the mechanisms responsible for the observed peak splitting in the photon emission spectra.

Tailored white light emission in Eu3+/Dy3+ doped tellurite glass phosphors containing Al3+ ions

NASA Astrophysics Data System (ADS)

Walas, Michalina; Piotrowski, Patryk; Lewandowski, Tomasz; Synak, Anna; Łapiński, Marcin; Sadowski, Wojciech; Kościelska, Barbara

2018-05-01

Tellurite glass systems modified by addition of aluminum fluoride AlF3 have been successfully synthesized as host matrices for optically active rare earth ions RE3+ (RE3+ = Eu3+, Dy3+). Samples with different Eu3+ to Dy3+ molar ratio have been studied in order to determine possibility of white light emission via UV excitation. Structural investigations confirmed amorphous character of materials whereas spectroscopic studies brought more insight into glass network's nature. FTIR results shown presence of two features related to tellurite glass matrix (in 490-935 cm-1 spectral region) and another one (940-1250 cm-1) due to aluminum addition. Especially, Al-O and Te-O-Al bonds of AlO4 tetrahedrons have been found. AlO4 units are considered as glass formers that improve network's strength and thermal resistivity against devitrification. Based on XPS studies of Al3+ photoelectron band the existence of Al-O and also Al-F bonds have been examined. Moreover, signals originating from Eu3+ and Dy3+ have been found confirming their valence state. Luminescence results revealed possibility of simultaneous UV excitation of Eu3+ and Dy3+ ions. Excitation with λexc = 390 and 393 nm resulted in white light generation starting from warm white to neutral and cool white depending on Eu3+ concentration and used excitation wavelength. Additionally, increase of decay lifetime of Eu3+ induced by Al3+ presence have been revealed based on luminescence decay analysis. Thus, tellurite glass systems modified by AlF3 and doped with Eu3+/Dy3+ may be considered as promising candidates for white light emitting sources.

Isles within islets: The lattice origin of small-world networks in pancreatic tissues

NASA Astrophysics Data System (ADS)

Barua, Amlan K.; Goel, Pranay

2016-02-01

The traditional computational model of the pancreatic islets of Langerhans is a lattice of β-cells connected with gap junctions. Numerous studies have investigated the behavior of networks of coupled β-cells and have shown that gap junctions synchronize bursting strongly. This simplistic architecture of islets, however, seems increasingly untenable at the face of recent experimental advances. In a microfluidics experiment on isolated islets, Rocheleau et al. (2004) showed a failure of penetration of excitation when one end received high glucose and other end was not excited sufficiently; this suggested that gap junctions may not be efficient at inducing synchrony throughout the islet. Recently, Stozer et al. (2013) have argued that the functional networks of β-cells in an islet are small world. Their results implicate the existence of a few long-range connections among cells in the network. The physiological reason underlying this claim is not well understood. These studies cast doubt on the original lattice model that largely predict an all-or-none synchrony among the cells. Here we have attempted to reconcile these observations in a unified framework. We assume that cells in the islet are coupled randomly to their nearest neighbors with some probability, p. We simulated detailed β-cell bursting in such islets. By varying p systematically we were led to network parameters similar to those obtained by Stozer et al. (2013). We find that the networks within islets break up into components giving rise to smaller isles within the super structure-isles-within-islets, as it were. This structure can also account for the partial excitation seen by Rocheleau et al. (2004). Our updated view of islet architecture thus explains the paradox how islets can have strongly synchronizing gap junctions, and be weakly coordinated at the same time.

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 peak is discussed and described within the Thalmeier-Fulde CF-phonon coupling (i.e., magnetoelastic coupling) model generalized to the tetragonal point symmetry. The second parent compound CePd2Ga2 does not display any sign of additional magnetic excitation. The expected two CF excitations were observed. The development of magnetic excitations in the CePd2Al2 -xGax series is discussed and crystal field parameters determined.

Synthesis and luminescent properties of Tb3Al5O12:Ce3+ phosphors for warm white light emitting diodes

NASA Astrophysics Data System (ADS)

Meng, Qinghuan; Liu, Ying; Fu, Yujie; Zu, Yuangang; Zhou, Zhenbao

2018-01-01

A series of Tb3Al5O12:Ce3+ phosphors were successfully synthesized by a precipitation method. The pure Tb3Al5O12 phase was obtained in the synthesized Tb3Al5O12:Ce3+ phosphors after heat treatments at 500 °C in air for 3 h. The excitation spectra of Tb3Al5O12:Ce3+ phosphors include excitation bands corresponding to Tb3+ and Ce3+ ions. Under the excitation at 455 nm, Tb3Al5O12:Ce3+ phosphors show emission band at around 553 nm. The critical doping concentration of Ce3+ in Tb3Al5O12 is 6mol%, which shows the highest emission intensity. White light-emitting diodes were fabricated by combining InGaN-based blue light-emitting diodes with Tb3Al5O12:Ce3+ and Y3Al5O12:Ce3+ phosphors. The Tb3Al5O12:Ce3+ based white light-emitting diode shows a lower color temperature than that of Y3Al5O12:Ce3+ based white light-emitting diode. The experimental results clearly indicate that the prepared Tb3Al5O12:Ce3+ has potential applications in white light emitting diodes.

Non-linear optical response by functionalized gold nanospheres: identifying design principles to maximize the molecular photo-release.

PubMed

Bergamini, Luca; Voliani, Valerio; Cappello, Valentina; Nifosì, Riccardo; Corni, Stefano

2015-08-28

In a recent study by Voliani et al. [Small, 2011, 7, 3271], the electromagnetic field enhancement in the vicinity of the gold nanoparticle surface has been exploited to achieve photocontrolled release of a molecular cargo conjugated to the nanoparticles via 1,2,3-triazole, a photocleavable moiety. The aim of the present study is to investigate the mechanism of the photorelease by characterizing the nanoparticle aggregation status within the cells and simulating the electric field enhancement in a range of experimentally realistic geometries, such as single Au nanoparticles, dimers, trimers and random aggregates. Two plasmon-enhanced processes are examined for triazole photocleavage, i.e. three-photon excitation and third-harmonic-generation (one-photon) excitation. Taking into account the absorption cross sections of the triazole, we conclude that the latter mechanism is more efficient, and provides a photocleavage rate that explains the experimental findings. Moreover, we determine which aggregate geometries are required to maximize the field enhancement, and the dependence of such enhancement on the excitation wavelength. Our results provide design principles for maximizing the multiphoton molecular photorelease by such functionalized gold nanoparticles.

Comparative study of microwave radiation-induced magnetoresistive oscillations induced by circularly- and linearly- polarized photo-excitation

PubMed Central

Ye, Tianyu; Liu, Han-Chun; Wang, Zhuo; Wegscheider, W.; Mani, Ramesh G.

2015-01-01

A comparative study of the radiation-induced magnetoresistance oscillations in the high mobility GaAs/AlGaAs heterostructure two dimensional electron system (2DES) under linearly- and circularly- polarized microwave excitation indicates a profound difference in the response observed upon rotating the microwave launcher for the two cases, although circularly polarized microwave radiation induced magnetoresistance oscillations observed at low magnetic fields are similar to the oscillations observed with linearly polarized radiation. For the linearly polarized radiation, the magnetoresistive response is a strong sinusoidal function of the launcher rotation (or linear polarization) angle, θ. For circularly polarized radiation, the oscillatory magnetoresistive response is hardly sensitive to θ. PMID:26450679

Comparative study of microwave radiation-induced magnetoresistive oscillations induced by circularly- and linearly- polarized photo-excitation.

PubMed

Ye, Tianyu; Liu, Han-Chun; Wang, Zhuo; Wegscheider, W; Mani, Ramesh G

2015-10-09

A comparative study of the radiation-induced magnetoresistance oscillations in the high mobility GaAs/AlGaAs heterostructure two dimensional electron system (2DES) under linearly- and circularly- polarized microwave excitation indicates a profound difference in the response observed upon rotating the microwave launcher for the two cases, although circularly polarized microwave radiation induced magnetoresistance oscillations observed at low magnetic fields are similar to the oscillations observed with linearly polarized radiation. For the linearly polarized radiation, the magnetoresistive response is a strong sinusoidal function of the launcher rotation (or linear polarization) angle, θ. For circularly polarized radiation, the oscillatory magnetoresistive response is hardly sensitive to θ.

Excitations in a spin-polarized two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Kreil, Dominik; Hobbiger, Raphael; Drachta, Jürgen T.; Böhm, Helga M.

2015-11-01

A remarkably long-lived spin plasmon may exist in two-dimensional electron liquids with imbalanced spin-up and spin-down population. The predictions for this interesting mode by Agarwal et al. [Phys. Rev. B 90, 155409 (2014), 10.1103/PhysRevB.90.155409] are based on the random phase approximation. Here, we show how to account for spin-dependent correlations from known ground-state pair correlation functions and study the consequences on the various spin-dependent longitudinal response functions. The spin-plasmon dispersion relation and its critical wave vector for Landau damping by minority spins turn out to be significantly lower. We further demonstrate that spin-dependent effective interactions imply a rich structure in the excitation spectrum of the partially spin-polarized system. Most notably, we find a "magnetic antiresonance," where the imaginary part of both, the spin-spin as well as the density-spin response function vanish. The resulting minimum in the double-differential cross section is awaiting experimental confirmation.

A five-primary photostimulator suitable for studying intrinsically photosensitive retinal ganglion cell functions in humans

PubMed Central

Cao, Dingcai; Nicandro, Nathaniel; Barrionuevo, Pablo A.

2015-01-01

Intrinsically photosensitive retinal ganglion cells (ipRGCs) can respond to light directly through self-contained photopigment, melanopsin. IpRGCs also receive synaptic inputs from rods and cones. Thus, studying ipRGC functions requires a novel photostimulating method that can account for all of the photoreceptor inputs. Here, we introduced an inexpensive LED-based five-primary photostimulator that can control the excitations of rods, S-, M-, L-cones, and melanopsin-containing ipRGCs in humans at constant background photoreceptor excitation levels, a critical requirement for studying the adaptation behavior of ipRGCs with rod, cone, or melanopsin input. We described the theory and technical aspects (including optics, electronics, software, and calibration) of the five-primary photostimulator. Then we presented two preliminary studies using the photostimulator we have implemented to measure melanopsin-mediated pupil responses and temporal contrast sensitivity function (TCSF). The results showed that the S-cone input to pupil responses was antagonistic to the L-, M- or melanopsin inputs, consistent with an S-OFF and (L + M)-ON response property of primate ipRGCs (Dacey et al., 2005). In addition, the melanopsin-mediated TCSF had a distinctive pattern compared with L + M or S-cone mediated TCSF. Other than controlling individual photoreceptor excitation independently, the five-primary photostimulator has the flexibility in presenting stimuli modulating any combination of photoreceptor excitations, which allows researchers to study the mechanisms by which ipRGCs combine various photoreceptor inputs. PMID:25624466

Calculations of stopping powers of 100 eV-30 keV electrons in 31 elemental solids

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

Tanuma, S.; Powell, C. J.; Penn, D. R.

We present calculated electron stopping powers (SPs) for 31 elemental solids (Li, Be, glassy C, graphite, diamond, Na, Mg, K, Sc, Ti, V, Fe, Y, Zr, Nb, Mo, Ru, Rh, In, Sn, Cs, Gd, Tb, Dy, Hf, Ta, W, Re, Os, Ir, and Bi). These SPs were determined with an algorithm previously used for the calculation of electron inelastic mean free paths and from energy-loss functions (ELFs) derived from experimental optical data. The SP calculations were made for electron energies between 100 eV and 30 keV and supplement our earlier SP calculations for ten additional solids (Al, Si, Cr, Ni,more » Cu, Ge, Pd, Ag, Pt, and Au). Plots of SP versus atomic number for the group of 41 solids show clear trends. Multiple peaks and shoulders are seen that result from the contributions of valence-electron and various inner-shell excitations. Satisfactory agreement was found between the calculated SPs and values from the relativistic Bethe SP equation with recommended values of the mean excitation energy (MEE) for energies above 10 keV. We determined effective MEEs versus maximum excitation energy from the ELFs for each solid. Plots of effective MEE versus atomic number showed the relative contributions of valence-electron and different core-electron excitations to the MEE. For a maximum excitation energy of 30 keV, our effective MEEs agreed well for Be, graphite, Na, Al, and Si with recommended MEEs; a difference for Li was attributed to sample oxidation in the SP measurements for the recommended MEE. Substantially different effective MEEs were found for the three carbon allotropes (graphite, diamond, and glassy C)« less

Hybrid Density Functional Study of the Local Structures and Energy Levels of CaAl2O4:Ce3.

PubMed

Lou, Bibo; Jing, Weiguo; Lou, Liren; Zhang, Yongfan; Yin, Min; Duan, Chang-Kui

2018-05-03

First-principles calculations were carried out for the electronic structures of Ce 3+ in calcium aluminate phosphors, CaAl 2 O 4 , and their effects on luminescence properties. Hybrid density functional approaches were used to overcome the well-known underestimation of band gaps of conventional density functional approaches and to calculate the energy levels of Ce 3+ ions more accurately. The obtained 4f-5d excitation and emission energies show good consistency with measured values. A detailed energy diagram of all three sites is obtained, which explains qualitatively all of the luminescent phenomena. With the results of energy levels calculated by combining the hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE06) and the constraint occupancy approach, we are able to construct a configurational coordinate diagram to analyze the processes of capture of a hole or an electron and luminescence. This approach can be applied for systematic high-throughput calculations in predicting Ce 3+ activated luminescent materials with a moderate computing requirement.

Photocurrent characteristics of metal–AlGaN/GaN Schottky-on-heterojunction diodes induced by GaN interband excitation

NASA Astrophysics Data System (ADS)

Tang, Xi; Li, Baikui; Chen, Kevin J.; Wang, Jiannong

2018-05-01

The photocurrent characteristics of metal–AlGaN/GaN Schottky-on-heterojunction diodes were investigated. When the photon energy of incident light was larger than the bandgap of GaN but smaller than that of AlGaN, the alternating-current (ac) photocurrent measured using lock-in techniques increased with the chopper frequency. Analyzing the generation and flow processes of photocarriers revealed that the photocurrent induced by GaN interband excitation featured a transient behavior, and its direction reversed when the light excitation was removed. The abnormal dependence of the measured ac photocurrent magnitude on the chopper frequency was explained considering the detection principles of a lock-in amplifier.

Study of np{sup 2}P{sub 1/2,3/2} Rydberg series of AlI by the method of laser stepwise excitation and ionization by electric field

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

Kasimov, A.K.; Tursunov, A.T.; Tukhlibaev, O.

Frequencies of the 4s{sup 2}S{sub 1/2}-np{sup 2}P{sub 1/2, 3/2} transitions are measured and the energies of high-lying P states, as well as the ionization energy of aluminum atoms, are determined by the method of two-step laser excitation and ionization of excited atoms of AlI by an electric field. 4 refs., 3 figs., 1 tab.

Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT).

PubMed

Maurer, Reinhard J; Reuter, Karsten

2013-07-07

Accurate and efficient simulation of excited state properties is an important and much aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the recently proposed linear expansion Δ-self-consistent field method by Gavnholt et al. [Phys. Rev. B 78, 075441 (2008)] presents an efficient alternative to time consuming quasi-particle calculations. In this method, the standard Kohn-Sham equations of density-functional theory are solved with the constraint of a non-equilibrium occupation in a region of Hilbert-space resembling gas-phase orbitals of the adsorbate. In this work, we discuss the applicability of this method for the excited-state dynamics of metal-surface mounted organic adsorbates, specifically in the context of molecular switching. We present necessary advancements to allow for a consistent quality description of excited-state potential-energy surfaces (PESs), and illustrate the concept with the application to Azobenzene adsorbed on Ag(111) and Au(111) surfaces. We find that the explicit inclusion of substrate electronic states modifies the topologies of intra-molecular excited-state PESs of the molecule due to image charge and hybridization effects. While the molecule in gas phase shows a clear energetic separation of resonances that induce isomerization and backreaction, the surface-adsorbed molecule does not. The concomitant possibly simultaneous induction of both processes would lead to a significantly reduced switching efficiency of such a mechanism.

Electron-impact excitation of Rydberg and valence electronic states of nitric oxide: II. Integral cross sections

NASA Astrophysics Data System (ADS)

Brunger, M. J.; Campbell, L.; Cartwright, D. C.; Middleton, A. G.; Mojarrabi, B.; Teubner, P. J. O.

2000-02-01

Integral cross sections (ICSs) for the excitation of 18 excited electronic states, and four composite excited electronic states, in nitric oxide (NO) have been determined for incident electron energies of 15, 20, 30, 40 and 50 eV. These ICSs were derived by extrapolating the respective measured differential cross sections (M J Brunger et al 2000 J. Phys. B: At. Mol. Opt. Phys. 33 783) to 0° and 180° and by performing the appropriate integration. Comparison of the present ICSs with the results of those determined in earlier optical emission measurements, and from theoretical calculations is made. At each incident energy considered, the current ICSs are also summed along with the corresponding elastic and rovibrational excitation ICSs from B Mojarrabi et al (1995 J. Phys. B: At. Mol. Opt. Phys. 28 487) and the ionization cross sections from Rapp and Englander-Golden (1965 J. Chem. Phys. 43 1464), to derive an estimate of the grand total cross sections (GTSs) for e- + NO scattering. The GTSs derived in this manner are compared with the results from independent linear transmission experiments and are found to be entirely consistent with them. The present excited electronic state ICS, and those for elastic and rovibrational excitation from Mojarrabi et al , appear to represent the first set of self-consistent cross sections for electron impact scattering from NO.

Influence of Spin-Orbit Quenching on the Solvation of Indium in Helium Droplets

NASA Astrophysics Data System (ADS)

Meyer, Ralf; Pototschnig, Johann V.; Ernst, Wolfgang E.; Hauser, Andreas W.

2017-06-01

Recent experimental interest of the collaborating group of M. Koch on the dynamics of electronic excitations of indium in helium droplets triggered a series of computational studies on the group 13 elements Al, Ga and In and their indecisive behavior between wetting and non wetting when placed onto superfluid helium droplets. We employ a combination of multiconfigurational self consistent field calculations (MCSCF) and multireference configuration interaction (MRCI) to calculate the diatomic potentials. Particularly interesting is the case of indium with an Ancilotto parameter λ close to the threshold value of 1.9. As shown by Reho et al. the spin-orbit splitting of metal atoms solvated in helium droplets is subject to a quenching effect. This can drastically change the solvation behavior. In this work we extend the approach presented by Reho et al. to include distance dependent spin-orbit coupling. The resulting potential surfaces are used to calculate the solvation energy of the ground state and the first excited state with orbital-free helium density functional theory. F. Ancilotto, P. B. Lerner and M. W. Cole, Journal of Low Temperature Physics, 1995, 101, 1123-1146 J. H. Reho, U. Merker, M. R. Radcliff, K. K. Lehmann and G. Scoles, The Journal of Physical Chemistry A, 2000, 104, 3620-3626

Experimental study of the astrophysically important Na 23 ( α , p ) Mg 26 and Na 23 ( α , n ) Al 26 reactions

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

Avila, M. L.; Rehm, K. E.; Almaraz-Calderon, S.

The 23Na(α,p) 26Mg and 23Na(α,n) 26Al reactions are important for our understanding of the 26Al abundance in massive stars. The aim of this work is to report on a direct and simultaneous measurement of these astrophysically important reactions using an active target system. The reactions were investigated in inverse kinematics using 4He as the active target gas in the detector. We measured the excitation functions in the energy range of about 2 to 6 MeV in the center of mass. We have found that the cross sections of the 23Na(α,p) 26Mg and the 23Na(α,n) 26Al reactions are in good agreementmore » with previous experiments and with statistical-model calculations. As a result, the astrophysical reaction rate of the 23Na(α,n) 26Al reaction has been reevaluated and it was found to be larger than the recommended rate.« less

Matrix effects in ion-induced emission as observed in Ne collisions with Cu-Mg and Cu-Al alloys

NASA Technical Reports Server (NTRS)

Ferrante, J.; Pepper, S. V.

1983-01-01

Ion induced Auger electron emission is used to study the surfaces of Al, Mg, Cu - 10 at. % Al, Cu - 19.6 at. % Al, and Cu - 7.4 at. % Mg. A neon (Ne) ion beam whose energy is varied from 0.5 to 3 keV is directed at the surface. Excitation of the lighter Ne occurs by the promotion mechanism of Barat and Lichten in asymmetric collisions with Al or Mg atoms. Two principal Auger peaks are observed in the Ne spectrum: one at 22 eV and one at 25 eV. Strong matrix effects are observed in the alloys as a function of energy in which the population of the second peak is greatly enhanced relative to the first over the pure materials. For the pure material over this energy range this ratio is 1.0. For the alloys it can rise to the electronic structure of alloys and to other surface tools such as secondary ion mass spectroscopy.

Experimental study of the astrophysically important Na 23 ( α , p ) Mg 26 and Na 23 ( α , n ) Al 26 reactions

DOE PAGES

Avila, M. L.; Rehm, K. E.; Almaraz-Calderon, S.; ...

2016-12-19

The 23Na(α,p) 26Mg and 23Na(α,n) 26Al reactions are important for our understanding of the 26Al abundance in massive stars. The aim of this work is to report on a direct and simultaneous measurement of these astrophysically important reactions using an active target system. The reactions were investigated in inverse kinematics using 4He as the active target gas in the detector. We measured the excitation functions in the energy range of about 2 to 6 MeV in the center of mass. We have found that the cross sections of the 23Na(α,p) 26Mg and the 23Na(α,n) 26Al reactions are in good agreementmore » with previous experiments and with statistical-model calculations. As a result, the astrophysical reaction rate of the 23Na(α,n) 26Al reaction has been reevaluated and it was found to be larger than the recommended rate.« less

Self-Propagating Combustion Synthesis, Luminescent Properties and Photocatalytic Activities of Pure Ca12Al14O33: Tb3+(Sm3+)

NASA Astrophysics Data System (ADS)

Liu, Rong; Yan, Yongsheng; Ma, Changchang

2018-03-01

The dual-functional Ca12Al14O33: Tb3+ and Ca12Al14O33: Sm3+ materials were prepared by the Self-Propagating Combustion Synthesis (SPCS) technology. The structure, morphology and light absorption property were investigated by XRD、FT-IR、UV-Vis DRS and SEM etc.. The doping of Tb3+ and Sm3+ ions had not changed cubic structure of Ca12Al14O33 but leaded to the slight lattice dilatation and the red-shifts of absorption peaks/edges. The excitation and emission spectra indicated that Ca12Al14O33: Tb3+ and Ca12Al14O33: Sm3+ are superior green and red luminescent materials, respectively, and displayed the distinctly refined structure characteristics which had importantly reference value for the energy level investigation of Tb3+ and Sm3+ ions. Meanwhile, Ca12Al14O33: Tb3+ and Ca12Al14O33: Sm3+ also exhibited the improved photocatalytic degradation for removing dye MB compared with bare Ca12Al14O33.

BAD and KATP channels regulate neuron excitability and epileptiform activity.

PubMed

Martínez-François, Juan Ramón; Fernández-Agüera, María Carmen; Nathwani, Nidhi; Lahmann, Carolina; Burnham, Veronica L; Danial, Nika N; Yellen, Gary

2018-01-25

Brain metabolism can profoundly influence neuronal excitability. Mice with genetic deletion or alteration of Bad ( B CL-2 a gonist of cell d eath) exhibit altered brain-cell fuel metabolism, accompanied by resistance to acutely induced epileptic seizures; this seizure protection is mediated by ATP-sensitive potassium (K ATP ) channels. Here we investigated the effect of BAD manipulation on K ATP channel activity and excitability in acute brain slices. We found that BAD's influence on neuronal K ATP channels was cell-autonomous and directly affected dentate granule neuron (DGN) excitability. To investigate the role of neuronal K ATP channels in the anticonvulsant effects of BAD, we imaged calcium during picrotoxin-induced epileptiform activity in entorhinal-hippocampal slices. BAD knockout reduced epileptiform activity, and this effect was lost upon knockout or pharmacological inhibition of K ATP channels. Targeted BAD knockout in DGNs alone was sufficient for the antiseizure effect in slices, consistent with a 'dentate gate' function that is reinforced by increased K ATP channel activity. © 2018, Martínez-François et al.

Comparative study of microwave radiation-induced magnetoresistive oscillations induced by circularly- and linearly- polarized photo-excitation

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

Ye, Tianyu; Liu, Han -Chun; Wang, Zhuo

A comparative study of the radiation-induced magnetoresistance oscillations in the high mobility GaAs/AlGaAs heterostructure two dimensional electron system (2DES) under linearly- and circularly- polarized microwave excitation indicates a profound difference in the response observed upon rotating the microwave launcher for the two cases, although circularly polarized microwave radiation induced magnetoresistance oscillations observed at low magnetic fields are similar to the oscillations observed with linearly polarized radiation. For the linearly polarized radiation, the magnetoresistive response is a strong sinusoidal function of the launcher rotation (or linear polarization) angle, θ. As a result, for circularly polarized radiation, the oscillatory magnetoresistive response ismore » hardly sensitive to θ.« less

Comparative study of microwave radiation-induced magnetoresistive oscillations induced by circularly- and linearly- polarized photo-excitation

DOE PAGES

Ye, Tianyu; Liu, Han -Chun; Wang, Zhuo; ...

2015-10-09

A comparative study of the radiation-induced magnetoresistance oscillations in the high mobility GaAs/AlGaAs heterostructure two dimensional electron system (2DES) under linearly- and circularly- polarized microwave excitation indicates a profound difference in the response observed upon rotating the microwave launcher for the two cases, although circularly polarized microwave radiation induced magnetoresistance oscillations observed at low magnetic fields are similar to the oscillations observed with linearly polarized radiation. For the linearly polarized radiation, the magnetoresistive response is a strong sinusoidal function of the launcher rotation (or linear polarization) angle, θ. As a result, for circularly polarized radiation, the oscillatory magnetoresistive response ismore » hardly sensitive to θ.« less

A novel red phosphor Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2}:Eu{sup 3+} for near UV white light-emitting diodes

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

Yang, Zhigang; Zhao, Zhengyan; Shi, Yurong

2013-10-15

Graphical abstract: - Highlights: • Novel red phosphor Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2}:Eu{sup 3+} was prepared by solid-state reaction. • Excitation spectra suggested an obvious absorption in near-ultraviolet region. • Under 392 nm excitation, the phosphors exhibited a red emission at 614 nm. • Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2}:Eu{sup 3+} could be potentially applied in near UV white LEDs. - Abstract: A novel red phosphor Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2}:Eu{sup 3+} was synthesized using a solid-state reaction method, and its luminescence characteristics and charge compensators effect (Li{sup +}, Na{sup +}, K{sup +}) were investigated. The excitation spectra showed a obviousmore » absorption in near-ultraviolet region. Under 392 nm excitation, the phosphors exhibited an intense red emission at 614 nm. The Commission Internationale de l’Eclairage (CIE) chromaticity coordinates and quantum efficiency (QE) were (0.65, 0.35) and 62.3%, respectively. The good color saturation, high quantum efficiency and small thermal-quenching properties indicate that Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2}:Eu{sup 3+} could be potentially applied in near UV white light-emitting diodes.« less

Preparation of Cells for Assessing Ultrastructural Localization of Nanoparticles with Transmission Electron Microscopy

DTIC Science & Technology

2010-01-01

scientific disciplines, who are rapidly pursuing a plethora of exciting and new applications. Concurrently, the implications for potential long-term...focus on the NP toxicity-associated bioeffects that produce acute dose-dependent decreases in viability and alterations in cell function (e.g...t h sufficient contrast and that only high atomic number NPs were readily detectable. More recently, de Jonge et al.25 have unveiled a new STEM

Transcranial magnetic stimulation assisted by neuronavigation of magnetic resonance images

NASA Astrophysics Data System (ADS)

Viesca, N. Angeline; Alcauter, S. Sarael; Barrios, A. Fernando; González, O. Jorge J.; Márquez, F. Jorge A.

2012-10-01

Technological advance has improved the way scientists and doctors can learn about the brain and treat different disorders. A non-invasive method used for this is Transcranial Magnetic Stimulation (TMS) based on neuron excitation by electromagnetic induction. Combining this method with functional Magnetic Resonance Images (fMRI), it is intended to improve the localization technique of cortical brain structures by designing an extracranial localization system, based on Alcauter et al. work.

On the Complexity of H2 Excitation Near Hot Stars: High Spectral and Spatial Resolution Observations of Compact Planetary Nebulae with IGRINS

NASA Astrophysics Data System (ADS)

Dinerstein, Harriet L.; Kaplan, Kyle F.; Jaffe, Daniel T.

2015-08-01

Near-infrared emission lines of vibrationally-excited H2 were first detected in planetary nebulae (PNe) four decades ago. In some environments, e.g. outflows from low-mass young stellar objects, such emission is generally attributed to shock heating. The situation is more complicated for PNe, which host more than one potential agent of excitation. Shocks are indeed present within PNe, due to interactions among expanding layers of different velocities. On the other hand, the UV radiation field of the central star can populate excited vibrational levels of the ground electronic state via an indirect process, initiated by transitions to excited electronic states upon absorption of non-H-ionizing UV photons (the H2 Lyman-Werner bands), followed by radiative decay. When not modified by other processes, this produces a highly distinctive “pure fluorescent” H2 spectrum (Black & van Dishoeck 1987, ApJ, 322, 412). Such emission was first identified in a PN, Hb 12, by Dinerstein et al. 1988 (ApJ, 327, L27). Later surveys (e.g. Hora et al. 1999, ApJS, 124, 195; Likkel & Dinerstein et al. 2006, AJ, 131, 1515) found that some PNe display thermal (collisionally-dominated) spectra, a few are fluorescent, and others show intermediate line ratios. It is not always easy to distinguish whether the latter is due to a superposition of radiative and shock components (Davis et al. 2003, MNRAS, 344, 262), or to thermalization of initially radiatively excited molecules due to high density, a hard radiation field, and/or advective effects (e.g. Henney et al. 2007, ApJ, 671, 137). We present new observations of H2 in PNe obtained with the high-spectral resolution (R = 40,000), broad spectral grasp IGRINS spectrometer (Park & Jaffe et al. 2014, Proc SPIE, 9147). This instrument reveals small-scale structures in position-velocity space that differ in excitation and emergent line ratios. For example, the compact PN M 1-11 contains both a fluorescent shell of H2 and higher-velocity compact “bullets” with thermal H2 spectra. This kind of observation can clarify the physical conditions giving rise to specific H2 spectra in sources too distant to be resolved in detail. We appreciate the support of the IGRINS science team in obtaining these data.

Crystal growth and scintillation properties of Nd-doped Lu 3Al 5O 12 single crystals with different Nd concentrations

NASA Astrophysics Data System (ADS)

Sugiyama, Makoto; Fujimoto, Yutaka; Yanagida, Takayuki; Yokota, Yuui; Pejchal, Jan; Furuya, Yuki; Tanaka, Hidehiko; Yoshikawa, Akira

2011-04-01

Nd 0.1%, 0.5%, 1% and 3% doped Lu 3Al 5O 12 (Nd:LuAG) single crystals were grown in the nitrogen atmosphere by the micro-pulling down (μ-PD) method. The grown crystals had a single-phase confirmed by powder XRD analysis. In absorption spectra, some weak absorption lines due to Nd 3+ 4f-4f transitions were observed and their intensity increased with the increase of Nd concentration. When excited by 241Am α-ray, a broad emission peak due to defects in the host lattice at 320 nm and some sharp lines due to Nd 3+ 4f-4f transitions at wavelength longer than 400 nm were observed. The decay time profiles of Nd:LuAG under γ-ray excitation were well approximated by two exponential function of 340-760 ns and 3-5 μs for each sample. By pulse height measurement using 137Cs, Nd 0.5%:LuAG showed the highest light yield of 7600 ± 760 photons/MeV.

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 .

Observation of dynamic interactions between fundamental and second-harmonic modes in a high-power sub-terahertz gyrotron operating in regimes of soft and hard self-excitation.

PubMed

Saito, Teruo; Tatematsu, Yoshinori; Yamaguchi, Yuusuke; Ikeuchi, Shinji; Ogasawara, Shinya; Yamada, Naoki; Ikeda, Ryosuke; Ogawa, Isamu; Idehara, Toshitaka

2012-10-12

Dynamic mode interaction between fundamental and second-harmonic modes has been observed in high-power sub-terahertz gyrotrons [T. Notake et al., Phys. Rev. Lett. 103, 225002 (2009); T. Saito et al. Phys. Plasmas 19, 063106 (2012)]. Interaction takes place between a parasitic fundamental or first-harmonic (FH) mode and an operating second-harmonic (SH) mode, as well as among SH modes. In particular, nonlinear excitation of the parasitic FH mode in the hard self-excitation regime with assistance of a SH mode in the soft self-excitation regime was clearly observed. Moreover, both cases of stable two-mode oscillation and oscillation of the FH mode only were observed. These observations and theoretical analyses of the dynamic behavior of the mode interaction verify the nonlinear hard self-excitation of the FH mode.

Highly selective and sensitive turn-on fluorescent sensor for detection of Al3+ based on quinoline-base Schiff base

NASA Astrophysics Data System (ADS)

Wang, Yang; Ma, Zhong-Ying; Zhang, De-Long; Deng, Jia-Li; Chen, Xiong; Xie, Cheng-Zhi; Qiao, Xin; Li, Qing-Zhong; Xu, Jing-Yuan

2018-04-01

A new aluminum ion fluorescent probe (4-(diethylamino)-2-hydroxybenzylidene)isoquinoline-1-carbohydrazide (HL1) has been conveniently synthesized and characterized. HL1 exhibited a highly selective and pronounced enhancement for Al3+ in the fluorescence emission over other common cations by forming a 2:1 complex, with a recognition mechanism based on excited-state intramolecular proton transfer (ESIPT) and intramolecular charge transfer (ICT). The strong fluorescent emission can be observed even at ppm level concentration of the probe in the presence of Al3+ with 41 fold intensity enhancement at 545 nm. HL1 displays good linear relationship with Al3+ in the low concentration and the limit of detection is 8.08 × 10-8 mol/L. Similar molecules with different substituents on salicylaldehyde phenyl ring were synthesized for studying the structure-activity relationship. Density-functional theory (DFT) calculations are in agreement with the proposed mechanism. It is confirmed that HL1 could be used to detect Al3+ ions in real sample by fluorescence spectrometry and Al3+ ions in cells by bioimaging.

AlN-based piezoelectric bimorph microgenerator utilizing low-level non-resonant excitation

NASA Astrophysics Data System (ADS)

Hampl, Stefan; Cimalla, Volker; Polster, Tobias; Hoffmann, Martin

2011-06-01

This work aims for utilizing human ocular motion for the self-sufficient power supply of a minimally invasive implantable monitoring system for intraocular pressure (IOP). With a proven piezoelectric functionality (d33>5 pm/V), nanocrystalline thin films of aluminum nitride (AlN) provide a good capability for micromechanical energy harvesting (EH) in medical applications. Many d31-mode microcantilever architectures are poorly suited for human-induced EH: Resonant mass-spring-damper systems are tested under high, narrow-band excitation frequencies. However, human motions, e.g. vibrations of eyeballs are marked by their low frequency, unpredictable, mainly aperiodic and time-varying signature. Different vibration types and directions are 3-dimensionally superimposed. Saccadic eye movements are favorable for inertial microgenerators because of their high dynamic loading (ω<=1000°/s). Our generator concept (symmetric active/active-parallel-bimorph cantilever) enables a high structural compliance by maximizing the piezoactive volume at very low cantilever thicknesses (<1 μm). An increased length and seismic mass enable an effective excitation by low-level aperiodic vibrations such as saccadic acceleration impulses. Analytic calculations and FEA-simulations investigate the potential distribution and transient response of different bimorph structures (length 200- 1000 μm, width 20-200 μm) on broadband vibrations. First released monomorph and bimorph structures show very low resonant frequencies and an adequate robustness.

Spoilage of foods monitored by native fluorescence spectroscopy with selective excitation wavelength

NASA Astrophysics Data System (ADS)

Pu, Yang; Wang, Wubao; Alfano, Robert R.

2015-03-01

The modern food processing and storage environments require the real-time monitoring and rapid microbiological testing. Optical spectroscopy with selective excitation wavelengths can be the basis of a novel, rapid, reagent less, noncontact and non-destructive technique for monitoring the food spoilage. The native fluorescence spectra of muscle foods stored at 2-4°C (in refrigerator) and 20-24°C (in room temperature) were measured as a function of time with a selective excitation wavelength of 340nm. The contributions of the principal molecular components to the native fluorescence spectra of meat were measured spectra of each fluorophore: collagen, reduced nicotinamide adenine dinucleotide (NADH), and flavin. The responsible components were extracted using a method namely Multivariate Curve Resolution with Alternating Least-Squares (MCR-ALS). The native fluorescence combined with MCR-ALS can be used directly on the surface of meat to produce biochemically interpretable "fingerprints", which reflects the microbial spoilage of foods involved with the metabolic processes. The results show that with time elapse, the emission from NADH in meat stored at 24°C increases much faster than that at 4°C. This is because multiplying of microorganisms and catabolism are accompanied by the generation of NADH. This study presents changes of relative content of NADH may be used as criterion for detection of spoilage degree of meat using native fluorescence spectroscopy.

Single sensor for multiple analytes in different optical channel: Applying for multi-ion response modulation

NASA Astrophysics Data System (ADS)

Liang, Chunshuang; Jiang, Shimei

2017-08-01

A Schiff-base, (2,4-di-tert-butyl-6-((2-hydroxyphenyl-imino)-methyl)phenol) (L), has been improved to function as a simultaneous multi-ion probe in different optical channel. The probe changes from colorless to orangish upon being deprotonated by F-, while the presence of Al3+ significantly enhances the fluorescence of the probe due to the inhibition of Cdbnd N isomerization, cation-induced inhibition of excited-state intramolecular proton transfer (ESIPT), and chelation enhanced fluorescence (CHEF). Dual-channel "off-on" switching behavior resulted from the sequential input of F- and Al3+, reflecting the balance of independent reactions of Al3+ and F- with L and with one another. This sensing phenomenon realizes transformation between multiple states and beautifully mimics a "Write-Read-Erase-Read" logic circuit with two feedback loops.

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.

Three types of membrane excitations in the marine diatom Coscinodiscus wailesii.

PubMed

Gradmann, D; Boyd, C M

2000-05-15

Three types of electrical excitation have been investigated in the marine diatom Coscinodiscus wailesii. I: Depolarization-triggered, transient Cl(-) conductance, G(Cl)(t), followed by a transient, voltage-gated K(+) conductance, G(K), with an active state a and two inactive states i(1) and i(2) in series (a-i(1)-i(2)). II: Similar G(Cl)(t) as in Type-I but triggered by hyperpolarization; a subsequent increase of G(K) in this type is indicated but not analyzed in detail. III: Hyperpolarization-induced transient of a voltage-gated activity of an electrogenic pump (i(2)-a-i(2)), followed by G(Cl)(t) as in Type-II excitations. Type-III with pump gating is novel as such. G(Cl)(t) in all types seems to reflect the mechanism of InsP(-)(3) and Ca(2+)-mediated G(Cl)(t) in the action potential in Chara (Biskup et al., 1999). The nonlinear current-voltage-time relationships of Type-I and Type-III excitations have been recorded under voltage-clamp using single saw-tooth command voltages (voltage range: -200 to +50 mV, typical slope: +/-1 Vs(-1)). Fits of the corresponding models to the experimental data provided numerical values of the model parameters. The statistical significance of these solutions is investigated. We suggest that the original function of electrical excitability of biological membranes is related to osmoregulation which has persisted through evolution in plants, whereas the familiar and osmotically neutral action potentials in animals have evolved later towards the novel function of rapid transmission of information over long distances.

CACNA1H missense mutations associated with amyotrophic lateral sclerosis alter Cav3.2 T-type calcium channel activity and reticular thalamic neuron firing.

PubMed

Rzhepetskyy, Yuriy; Lazniewska, Joanna; Blesneac, Iulia; Pamphlett, Roger; Weiss, Norbert

2016-11-01

Amyotrophic lateral sclerosis (ALS) is a progressive neurodegenerative disease that affects nerve cells in the brain and the spinal cord. In a recent study by Steinberg and colleagues, 2 recessive missense mutations were identified in the Cav3.2 T-type calcium channel gene (CACNA1H), in a family with an affected proband (early onset, long duration ALS) and 2 unaffected parents. We have introduced and functionally characterized these mutations using transiently expressed human Cav3.2 channels in tsA-201 cells. Both of these mutations produced mild but significant changes on T-type channel activity that are consistent with a loss of channel function. Computer modeling in thalamic reticular neurons suggested that these mutations result in decreased neuronal excitability of thalamic structures. Taken together, these findings implicate CACNA1H as a susceptibility gene in amyotrophic lateral sclerosis.

Fission barriers of light nuclei

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

Grotowski, K.; Pl-dash-baraneta, R.; Blann, M.

1989-04-01

Experimental fission excitation functions for compound nuclei /sup 52/Fe, /sup 49/Cr, /sup 46/V, and /sup 44/Ti formed in heavy-ion reactions are analyzed in the Hauser-Feshbach/Bohr-Wheeler formalism using fission barriers based on the rotating liquid drop model of Cohen et al. and on the rotating finite range model of Sierk. We conclude that the rotating finite range approach gives better reproduction of experimental fission yields, consistent with results found for heavier systems.

Luminescence properties and electronic structure of Ce{sup 3+}-doped gadolinium aluminum garnet

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

Dotsenko, V.P., E-mail: ssclab@ukr.net; Berezovskaya, I.V.; Voloshinovskii, A.S.

2015-04-15

Highlights: • The luminescence properties of Ce{sup 3+} ions in (Y, Gd){sub 3}Al{sub 5}O{sub 12} are analyzed. • The Gd{sup 3+} → Y{sup 3+} substitution leads to increasing of Ce{sup 3+} noncubic crystal field splitting parameter. • The excitation spectra for the Ce{sup 3+} emission in GdAG contain bands at 6.67, 7.75, and 9.76 eV. • These features are due to the Ce{sup 3+}-bound exciton formation and O 2p → Al 3s, 3p transitions. • Contributions from Al atoms to the conduction-band density of states are quite essential. - Abstract: Yttrium-gadolinium aluminum garnets (YGdAG) doped with Ce{sup 3+} ions havemore » been prepared by co-precipitation method. The luminescent properties of Ce{sup 3+} ions in Gd{sub 3(1−x)}Ce{sub 3x}Al{sub 5}O{sub 12} (x = 0.01) have been studied upon excitation in the 2–20 eV region. The substitution of Gd{sup 3+} for Y{sup 3+} in the garnet structure results in broadening the emission band and shifting its maximum towards the longer wavelengths. It was found that in addition to the 4f → 5d excitation bands of Ce{sup 3+} ions, the excitation spectra for the Ce{sup 3+} emission contain bands at 6.67, 7.75, and 9.76 eV. These bands are attributed to the Ce{sup 3+}-bound exciton formation and O 2p → Al 3s, 3p transitions, respectively. Although gadolinium states dominate near the bottom of the conduction band of Gd{sub 3}Al{sub 5}O{sub 12}, contributions from Al{sub tetr} and Al{sub oct} atoms to the conduction-band density of states are evaluated as quite essential.« less

Photochemistry of the α-Al 2O 3-PETN interface

DOE PAGES

Tsyshevsky, Roman V.; Zverev, Anton; Mitrofanov, Anatoly; ...

2016-02-29

Optical absorption measurements are combined with electronic structure calculations to explore photochemistry of an α-Al 2O 3-PETN interface formed by a nitroester (pentaerythritol tetranitrate, PETN, C 5H 8N 4O 12) and a wide band gap aluminum oxide (α-Al 2O 3) substrate. The first principles modeling is used to deconstruct and interpret the α-Al 2O 3-PETN absorption spectrum that has distinct peaks attributed to surface F 0-centers and surfacePETN transitions. We predict the low energy α-Al 2O 3 F 0-centerPETN transition, producing the excited triplet state, and α-Al 2O 3 F- 0-centerPETN charge transfer, generating the PETN anion radical. This impliesmore » that irradiation by commonly used lasers can easily initiate photodecomposition of both excited and charged PETN at the interface. As a result, the feasible mechanism of the photodecomposition is proposed.« less

Cross sections of proton-induced nuclear reactions on bismuth and lead up to 100 MeV

NASA Astrophysics Data System (ADS)

Mokhtari Oranj, L.; Jung, N. S.; Bakhtiari, M.; Lee, A.; Lee, H. S.

2017-04-01

Production cross sections of 209Bi(p , x n )207,206,205,204,203Po, 209Bi(p , pxn) 207,206,205,204,203,202Bi, and natPb(p , x n ) 206,205,204,203,202,201Bi reactions were measured to fill the gap in the excitation functions up to 100 MeV as well as to figure out the effects of different nuclear properties on proton-induced reactions including heavy nuclei. The targets were arranged in two different stacks consisting of Bi, Pb, Al, Au foils and Pb plates. The proton beam intensity was determined by the activation analysis method using 27Al(p ,3 p n )24Na, 197Au(p ,p n )196Au, and 197Au(p , p 3 n )194Au monitor reactions in parallel as well as the Gafchromic film dosimetry method. The activities of produced radionuclei in the foils were measured by the HPGe spectroscopy system. Over 40 new cross sections were measured in the investigated energy range. A satisfactory agreement was observed between the present experimental data and the previously published data. Excitation functions of mentioned reactions were calculated by using the theoretical model based on the latest version of the TALYS code and compared to the new data as well as with other data in the literature. Additionally, the effects of various combinations of the nuclear input parameters of different level density models, optical model potentials, and γ-ray strength functions were considered. It was concluded that if certain level density models are used, the calculated cross sections could be comparable to the measured data. Furthermore, the effects of optical model potential and γ-ray strength functions were considerably lower than that of nuclear level densities.

Acoustic waves in unsaturated soils

NASA Astrophysics Data System (ADS)

Lo, Wei-Cheng; Sposito, Garrison

2013-09-01

Seminal papers by Brutsaert (1964) and Brutsaert and Luthin (1964) provided the first rigorous theoretical framework for examining the poroelastic behavior of unsaturated soils, including an important application linking acoustic wave propagation to soil hydraulic properties. Theoretical developments during the 50 years that followed have led Lo et al., (2005) to a comprehensive model of these phenomena, but the relationship of its elasticity parameters to standard poroelasticity parameters measured in hydrogeology has not been established. In the present study, we develop this relationship for three key parameters, the Gassman modulus, Skempton coefficient, and Biot-Willis coefficient by generalizing them to an unsaturated porous medium. We demonstrate the remarkable result that well-known and widely applied relationships among these parameters for a porous medium saturated by a single fluid are also valid under very general conditions for unsaturated soils. We show further that measurement of the Biot-Willis coefficient along with three of the six elasticity coefficients in the model of Lo et al. (2005) is sufficient to characterize poroelastic behavior. The elasticity coefficients in the model of Lo et al. (2005) are sensitive to the dependence of capillary pressure on water saturation and its viscous-drag coefficients are functions of relative permeability, implying that hysteresis in the water retention curve and hydraulic conductivity function should affect acoustic wave behavior in unsaturated soils. To quantify these as-yet unknown effects, we performed numerical simulations for Dune sand at two representative wave excitation frequencies. Our results show that the acoustic wave investigated by Brutsaert and Luthin (1964) propagates at essentially the same speed during imbibition and drainage, but is attenuated more during drainage than imbibition. Overall, effects on acoustic wave behavior caused by hysteresis become more significant as the excitation frequency increases.

Wear measurement using radioactive tracer technique based on proton, deuteron and α-particle induced nuclear reactions on molybdenum

NASA Astrophysics Data System (ADS)

Ditrói, F.; Tárkányi, F.; Takács, S.

2012-11-01

Excitation functions of light ion induced nuclear reactions on natural molybdenum have been studied in the frame of a systematic investigation of charged particle induced nuclear reactions on metals for various applications. Excitation functions of 93,94g,94m,95g,95m,96,99mTc, 90,93m,99Mo, 90,91m,92m,95m,95g,96Nb and 88,89Zr were measured up to 50 MeV deuteron energy Tárkányi et al., 2012 [1], 93m,93g,94m,94g,95m,95g,96g,99mTc, 90,93m,99Mo, 90,92m,95m,95g,96Nb and 88,89Zr were measured up to 40 MeV proton energy Tárkányi et al., 2012 [2] and 93m,93g,94m,94g,95m,95g,96g,99mTc, 93m,99Mo, 90Nb, 94,95,97,103Ru and 88Zr were measured up to 40 MeV alpha energy Ditrói et al., 2012 [3] by using the stacked foil technique and activation method. The results for 3He induced reactions on natural Mo were taken from the literature Comparetto and Qaim, 1980 [4]. According to their half-lives, from the above listed radionuclides the 95m,96Tc, 91m,92m,95m,95gNb, 99Mo, 103,97Ru and 88Zr are suitable candidates for wear measurement by using thin layer activation (TLA) method. The goal of this work was to determine the necessary nuclear data for TLA of the above radionuclides and to prove their applicability for wear measurements.

Eu2+-Doped Sr2B2-2xSi2+3xAl2-xN8+x: A Boron-Containing Orange-Emitting Nitridosilicate with Interesting Composition-Dependent Photoluminescence Properties.

PubMed

Ten Kate, Otmar M; Xie, Rong-Jun; Wang, Chun-Yun; Funahashi, Shiro; Hirosaki, Naoto

2016-11-07

Novel Sr 2-y Eu y B 2-2x Si 2+3x Al 2-x N 8+x phosphors were investigated as a function of the boron and aluminum over silicon ratio and as a function of the Eu 2+ concentration. Samples were prepared via solid-state reaction synthesis by carefully controlling the synthesis conditions and composition. At high boron and aluminum content, that is, x = 0, a Eu 2+ 5d-4f emission is observed of which the maximum shifts from 595 nm for low Eu concentrations (y = 0.005) toward 623 nm for high Eu concentrations (y = 0.5). The samples can be excited by UV or blue light up to ∼475 nm. Substitution of [B 2 Al] 9+ units by [Si 3 N] 9+ units, increasing x up to 0.15, greatly improves the luminescence efficiency up to 46% and shows a very large redshift of the excitation bands with ∼100 nm, while the emission band shifts with ∼10 nm. The shifts are attributed to the lowering of the 5d level as a result of the decreased Eu-N distance upon substitution. Temperature-dependent measurements show that the Eu 2+ 5d-4f emission is largely thermally quenched at room temperature for x = 0 due to thermal ionization toward the conduction band, explaining the low luminescence efficiency. The lowering of the 5d level at larger values of x reduces the thermal ionization and consequently increases the thermal stability and quantum efficiency, resulting in strongly luminescent blue-to-orange conversion phosphors that are interesting for light-emitting diode applications.

Depth-resolved cathodoluminescence of a homoepitaxial AlN thin film

NASA Astrophysics Data System (ADS)

Silveira, E.; Freitas, J. A.; Slack, G. A.; Schowalter, L. J.; Kneissl, M.; Treat, D. W.; Johnson, N. M.

2005-07-01

In the present work we will report on the optical properties of an AlN film homoepitaxially grown on a high-quality large bulk AlN single crystal. The latter was grown by a sublimation-recondensation technique, while the film was grown by organometallic vapor-phase epitaxy. Cathodoluminescence measurements were performed using electron beam energies between 2 and 10 keV in order to excite the sample and so to probe different sample depths, making it possible to differentiate between different features which originate in the AlN homoepitaxial film. The penetration depth has been determined through the calculation of the Bohr-Bethe maximum range of excitation using the approximation to the Everhart-Hoff expression for the energy loss within a solid.

Parametric investigations on the saturation intensity of Coumarin 102 for stimulated emission depletion application.

PubMed

Qin, H-Y; Zhao, W-X; Zhao, W; Zhang, C; Feng, X-Q; Liu, S-P; Wang, K-G

2018-04-23

Stimulated emission depletion (STED) microscopy performed using continuous-wave (CW) lasers has been investigated and developed by Willig et al. (Nature Methods, 2007, 4(11):915) for nearly a decade. Kuang et al. (Review of Scientific Instruments, 2010, 81:053709) developed the CW STED microscopy technique with 405 nm excitation and 532 nm depletion beams. In their research, Coumarin 102 dye was adopted and was found to be depletable. In this study, a parametric investigation of the depletion of Coumarin 102 dye is carried out experimentally. The influence of the excitation and depletion beam intensities and dye concentrations on the depletion efficiency are studied in detail. The results indicate the following: (1) The highest depletion occurs for the 100 μM Coumarin 102 solution, with a 1.4 μW excitation beam and a 115.3 mW depletion beam. (2) The minimum saturation intensity (Is) of STED, that is 13 MW cm -2 , is observed when the Coumarin 102 solution concentration is 10 μM. (3) Is values calculated directly from the depletion power derived with the cross-sectional area due to the full-width-at-half-maximum (FWHM) of the depletion beam show poor accuracy, where Is may be overestimated. Thus, a correction factor for the cross-sectional area is proposed. We also find that Is is not exactly constant for a fixed excitation beam power and dye concentration. This trend indicates that the conventional suppression function η(x)=e- ln (2)ISTED(x)/Is derived from picosecond STED may cause errors in evaluating the depletion process in CW STED microscopy. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

Luminescence quenching and scintillation response in the Ce3+ doped GdxY3-xAl5O12 (x = 0.75, 1, 1.25, 1.5, 1.75, 2) single crystals

NASA Astrophysics Data System (ADS)

Bartosiewicz, K.; Babin, V.; Kamada, K.; Yoshikawa, A.; Mares, J. A.; Beitlerova, A.; Nikl, M.

2017-01-01

The luminescence and scintillation properties of the gadolinium yttrium aluminium garnets, (Gd,Y)3Al5O12 doped with Ce3+ are investigated as a function of the Gd/Y ratio with the aim of an improved understanding of the luminescence quenching, energy transfer and phase stability in these materials. An increase of both crystal field strength and instability of the garnet phase with increasing content of Gd3+ is observed. The instability of the garnet phase results in an appearance of the perovskite phase inclusions incorporated into the garnet phase. The luminescence features of Ce3+ in the perovskite phase inclusions and in the main garnet phase are studied separately. The thermal quenching of the 5 d → 4f emission of Ce3+ in the latter phase is determined by temperature dependence of the photoluminescence decay time. The results show that the onset of the thermal quenching is moved to lower temperatures with increasing gadolinium content. The measurements of temperature dependence of delayed radiative recombination do not reveal a clear evidence that the thermal quenching is caused by thermally induced ionization of the Ce3+ 5d1 excited state. Therefore, the main mechanism responsible for the luminescence quenching is due to the non-radiative relaxation from 5d1 excited state to 4f ground state of Ce3+. The energy transfer processes between Gd3+ and Ce3+ as well as between perovskite and garnet phases are evidenced by the photoluminescence excitation and emission spectra as well as decay kinetic measurements. Thermally stimulated luminescence (TSL) studies in the temperature range 77-497 K and scintillation decays under γ excitation complete the material characterization.

Single fiber temperature probe configuration using anti-Stokes luminescence from Cr:GdAlO3

NASA Astrophysics Data System (ADS)

Eldridge, Jeffrey I.

2018-06-01

Single-photon excitation of anti-Stokes-shifted emission from a thermographic phosphor allows operation of a luminescence decay-based single fiber temperature probe with negligible interference from background fiber-generated Raman scattering. While single fiber probe configurations for luminescence-based fiber optic thermometers offer advantages of simple design, compactness, and superior emission light collection efficiency, their effective use has been limited by interference from Raman scattering in the fiber probe and excitation delivery fiber that produces distortion of the luminescence decay that follows the excitation pulse. The near elimination of interference by background fiber-generated Raman scattering was demonstrated by incorporating a Cr-doped GdAlO3 (Cr:GdAlO3) thermographic phosphor as the sensing element at the end of a single fiber luminescence decay-based thermometer and detecting anti-Stokes-shifted luminescence centered at 542 or 593 nm produced by 695 nm excitation. Measurements were performed using both silica (up to 1150 °C) and single-crystal YAG (up to 1200 °C) fiber-based thermometers. Selection of emission detection centered at 542 nm greatly benefited the YAG fiber probe measurements by practically eliminating detection of otherwise significant luminescence from Cr3+ impurities in the YAG fiber. For both the silica and YAG fiber probes, the relative benefit of adopting single-photon excitation of anti-Stokes-shifted luminescence was evaluated by comparison with results obtained by conventional 532 nm excitation of Stokes-shifted luminescence.

Optimization of photoluminescence of GdAl3(BO3)4:Sm3+ phosphors for solid state lighting devices

NASA Astrophysics Data System (ADS)

Jamalaiah, Bungala Chinna

2017-10-01

The GdAl3(BO3)4:Sm3+ phosphors prepared by solid-state reaction method were characterized through thermal, structural and photoluminescence studies at room temperature only. The observed X-ray diffraction peaks were well consistent with JCPDS No. 83-1907. When excited with 406 nm wavelength, the studied phosphors exhibit orange-red luminescence through 4G5/2 → 6H5/2, 4G5/2 → 6H7/2 and 4G5/2 → 6H9/2 transitions. The concentration of Sm3+ ions was optimized to be 0.01 mol% for intense luminescence in GdAl3(BO3)4:Sm3+ phosphors. Beyond 0.01 mol% of Sm3+ ions concentration, luminescence quenching was observed due to energy transfer among the excited Sm3+ ions through cross-relaxation and dipole-dipole interaction mechanisms. The GdAl3(BO3)4:0.01 mol% Sm3+ phosphor was identified as a notable host material to emit intense orange-red luminescence for various solid state lighting devices under 406 nm excitation.

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

Harilal, Sivanandan S.; LaHaye, Nicole L.; Phillips, Mark C.

We use a two-dimensional laser-induced fluorescence spectroscopy technique to measure the coupled absorption and emission properties of atomic species in plasmas produced via laser ablation of solid aluminum targets at atmospheric pressure. Emission spectra from the Al I 394.4 nm and Al I 396.15 nm transitions are measured while a frequency-doubled, continuous-wave, Ti:Sapphire laser is tuned across the Al I 396.15 nm transition. The resulting two-dimensional spectra show the energy coupling between the two transitions via increased emission intensity for both transitions during resonant absorption of the continuous-wave laser at one transition. Time-delayed and gated detection of the emission spectrummore » is used to isolate the resonantly-excited fluorescence emission from the thermally-excited emission from the plasma. In addition, the tunable continuous-wave laser measures the absorption spectrum of the Al transition with ultra-high resolution after the plasma has cooled, resulting in narrower spectral linewidths than observed in emission spectra. Our results highlight that fluorescence spectroscopy employing continuous-wave laser re-excitation after pulsed laser ablation combines benefits of both traditional emission and absorption spectroscopic methods.« less

Crystal-field effects in the kagome antiferromagnet Ho3Ru4Al12

NASA Astrophysics Data System (ADS)

Gorbunov, D. I.; Nomura, T.; Ishii, I.; Henriques, M. S.; Andreev, A. V.; Doerr, M.; Stöter, T.; Suzuki, T.; Zherlitsyn, S.; Wosnitza, J.

2018-05-01

In Ho3Ru4Al12 , the Ho atoms form a distorted kagome lattice. We performed magnetization, magnetic-susceptibility, specific-heat, and ultrasound measurements on a single crystal. We find that the magnetic and magnetoelastic properties of Ho3Ru4Al12 result from an interplay between geometric frustration and crystal-electric-field (CEF) effects. The Ho atoms order antiferromagnetically at TN=4.5 K with reduced magnetic moments. In applied field, the magnetization shows anomalies that can be explained by CEF level crossings. We propose a CEF level scheme for which the ground-state doublet and the first two excited singlets at about 2.7 K form a quasiquartet. Indirect interlevel transitions allow for a quadrupolar interaction. This interaction explains well changes in the elastic shear modulus C44 as a function of temperature and magnetic field.

Photoinduced Electron Transfer in the Strong Coupling Regime: Waveguide-Plasmon Polaritons.

PubMed

Zeng, Peng; Cadusch, Jasper; Chakraborty, Debadi; Smith, Trevor A; Roberts, Ann; Sader, John E; Davis, Timothy J; Gómez, Daniel E

2016-04-13

Reversible exchange of photons between a material and an optical cavity can lead to the formation of hybrid light-matter states where material properties such as the work function [ Hutchison et al. Adv. Mater. 2013 , 25 , 2481 - 2485 ], chemical reactivity [ Hutchison et al. Angew. Chem., Int. Ed. 2012 , 51 , 1592 - 1596 ], ultrafast energy relaxation [ Salomon et al. Angew. Chem., Int. Ed. 2009 , 48 , 8748 - 8751 ; Gomez et al. J. Phys. Chem. B 2013 , 117 , 4340 - 4346 ], and electrical conductivity [ Orgiu et al. Nat. Mater. 2015 , 14 , 1123 - 1129 ] of matter differ significantly to those of the same material in the absence of strong interactions with the electromagnetic fields. Here we show that strong light-matter coupling between confined photons on a semiconductor waveguide and localized plasmon resonances on metal nanowires modifies the efficiency of the photoinduced charge-transfer rate of plasmonic derived (hot) electrons into accepting states in the semiconductor material. Ultrafast spectroscopy measurements reveal a strong correlation between the amplitude of the transient signals, attributed to electrons residing in the semiconductor and the hybridization of waveguide and plasmon excitations.

Synthesis and effect of Ce and Mn co-doping on photoluminescence characteristics of Ca6AlP5O20:Eu novel phosphors.

PubMed

Shinde, K N; Dhoble, S J

2013-01-01

A series of Ca6AlP5O20 doped with rare earths (Eu and Ce) and co-doped (Eu, Ce and Eu,Mn) were prepared by combustion synthesis. Under Hg-free excitation, Ca6AlP5O20:Eu exhibited Eu(2+) (486 nm) emission in the blue region of the spectrum and under near Hg excitation (245 nm), Ca6AlP5O20:Ce phosphor exhibited Ce(3+) emission (357 nm) in the UV range. Photoluminescence (PL) peak intensity increased in Ca6AlP5O20:Eu,Ce and Ca6AlP5O20:Eu, Mn phosphors due to co-activators of Ce(3+) and Mn(2+) ions. As a result, these ions played an important role in PL emission in the present matrix. Ca6AlP5O20:Eu, Ce and Ca6AlP5O20:Eu, Mn phosphors provided energy transfer mechanisms via Ce(3+) → Eu(2+) and Eu(2+) → Mn(2+), respectively. Eu ions acted as activators and Ce ions acted as sensitizers. Ce emission energy was well matched with Eu excitation energy in the case of Ca6AlP5O20:Eu, Ce and Eu ions acted as activators and Mn ions acted as sensitizers in Ca6AlP5O20:Eu, Mn. This study included synthesis of new and efficient phosphate phosphors. The impact of doping and co-doping on photoluminescence properties and energy transfer mechanisms were investigated and we propose a feasible interpretation. Copyright © 2012 John Wiley & Sons, Ltd.

Line-source excitation of realistic conformal metasurface cloaks

NASA Astrophysics Data System (ADS)

Padooru, Yashwanth R.; Yakovlev, Alexander B.; Chen, Pai-Yen; Alù, Andrea

2012-11-01

Following our recently introduced analytical tools to model and design conformal mantle cloaks based on metasurfaces [Padooru et al., J. Appl. Phys. 112, 034907 (2012)], we investigate their performance and physical properties when excited by an electric line source placed in their close proximity. We consider metasurfaces formed by 2-D arrays of slotted (meshes and Jerusalem cross slots) and printed (patches and Jerusalem crosses) sub-wavelength elements. The electromagnetic scattering analysis is carried out using a rigorous analytical model, which utilizes the two-sided impedance boundary conditions at the interface of the sub-wavelength elements. It is shown that the homogenized grid-impedance expressions, originally derived for planar arrays of sub-wavelength elements and plane-wave excitation, may be successfully used to model and tailor the surface reactance of cylindrical conformal mantle cloaks illuminated by near-field sources. Our closed-form analytical results are in good agreement with full-wave numerical simulations, up to sub-wavelength distances from the metasurface, confirming that mantle cloaks may be very effective to suppress the scattering of moderately sized objects, independent of the type of excitation and point of observation. We also discuss the dual functionality of these metasurfaces to boost radiation efficiency and directivity from confined near-field sources.

Magnetic Induction Machines Integrated into Bulk-Micromachined Silicon

DTIC Science & Technology

2006-04-01

Actuator Workshop (Hilton Head 2000), pp. 43–7, Jun. 2000. [5] H. Guckel et al., “A first functional current excited planar rotational magnetic micromotor ...in Proc. IEEE Micro Electro Mechanical Sys- tems (MEMS’93), Feb. 1993, pp. 7–11. [6] , “Planar rotational magnetic micromotors ,” Int. J. Appl... micromotor with fully integrated stator and coils,” J. Micro- electromech. Syst., vol. 2, no. 4, pp. 165–73, Dec. 1993. [8] B. Wagner, M. Kreutzer, and W

Scintillation properties of Gd3Al2Ga3O12:Ce (GAGG:Ce): a comparison between monocrystalline and nanoceramic samples

NASA Astrophysics Data System (ADS)

Drozdowski, Winicjusz; Witkowski, Marcin E.; Solarz, Piotr; Głuchowski, Paweł; Głowacki, Michał; Brylew, Kamil

2018-05-01

In this Communication the behavior of two types of Gd3Al2Ga3O12:Ce samples under gamma and X-ray excitation is compared. Single crystals of GAGG:1%Ce have been grown by the Czochralski technique, while nanoceramic pills of GAGG:1%Ce have been fabricated by the LTHP sintering from nanocrystalline powders prepared by the Pechini method. The results of pulse height, scintillation time profile, radioluminescence as a function of temperature, and low temperature thermoluminescence measurements, are reported, indicating that monocrystals are still a better choice for scintillator application, nevertheless some of the properties of nanoceramics are indeed promising and there should be a room for improvement.

Self-potential response to periodic pumping test: a numerical study

NASA Astrophysics Data System (ADS)

Konosavsky, Pavel; Maineult, Alexis; Narbut, Mikhail; Titov, Konstantin

2017-09-01

We numerically model self-potential responses associated with periodic pumping test experiments by sequential calculation of the hydraulic response and the coupled electrical potential. We assume the pumping test experiments with a fully saturated confined aquifer. Application of different excitation functions leads to quasi-linear trends in electrical records whose direction and intensity depend on the form of the excitation function. The hydraulic response is phase shifted compared to the excitation function; the phase shift increases quasi-linearly with the distance from the pumping well. For the electrical signals, we investigated separately the cases of conducting and insulating casings of the pumping well. For the conducting casing the electrical signals are larger in magnitude than that for the insulating casing; they reproduce the drawdown signals in the pumping well at any distance from the well and exhibit any phase shift with the increased distance. For the insulating casing, the electrical signals are phase shifted and their shape depends on the distance from the pumping well. Three characteristic regimes were found for the phase shift, φ, with the increased distance and for various hydraulic diffusivity values. At small distances φ increases quasi-linearly; at intermediate distances φ attends the value of π/2 and stay about this value (for relatively small diffusivity values); and at large distances φ attends the value of π and, stay about this value at larger distances. This behaviour of the electrical signals can be explained by two electrical sources of reverse polarity. They are (i) linear, time independent, and located at the pumping interval of the well; and (ii) volumetric, time dependent, with maximum value located in the aquifer at the distance corresponding to maximum variation of the hydraulic head magnitude with time. We also model the variation of the amplitude and phase of the hydraulic and electrical signals with increased excitation function period, and we show the characteristic periods corresponding to transition of the periodic pumping test regime to the classical pumping test regime, when the excitation function is considered as the step-function. This transition depends on the distance from the pumping well and the hydraulic diffusivity value of aquifer. Finally, with this modelling of saturated flow we reproduced in sufficient details the field data previously obtained by Maineult et al.

Compressional Alfven Eigenmode Similarity Study

NASA Astrophysics Data System (ADS)

Heidbrink, W. W.; Fredrickson, E. D.; Gorelenkov, N. N.; Rhodes, T. L.

2004-11-01

NSTX and DIII-D are nearly ideal for Alfven eigenmode (AE) similarity experiments, having similar neutral beams, fast-ion to Alfven speed v_f/v_A, fast-ion pressure, and shape of the plasma, but with a factor of 2 difference in the major radius. Toroidicity-induced AE with ˜100 kHz frequencies were compared in an earlier study [1]; this paper focuses on higher frequency AE with f ˜ 1 MHz. Compressional AE (CAE) on NSTX have a polarization, dependence on the fast-ion distribution function, frequency scaling, and low-frequency limit that are qualitatively consistent with CAE theory [2]. Global AE (GAE) are also observed. On DIII-D, coherent modes in this frequency range are observed during low-field (0.6 T) similarity experiments. Experiments will compare the CAE stability limits on DIII-D with the NSTX stability limits, with the aim of determining if CAE will be excited by alphas in a reactor. Predicted differences in the frequency splitting Δ f between excited modes will also be used. \\vspace0.25em [1] W.W. Heidbrink, et al., Plasmas Phys. Control. Fusion 45, 983 (2003). [2] E.D. Fredrickson, et al., Princeton Plasma Physics Laboratory Report PPPL-3955 (2004).

Highly selective and sensitive turn-on fluorescent sensor for detection of Al3+ based on quinoline-base Schiff base.

PubMed

Wang, Yang; Ma, Zhong-Ying; Zhang, De-Long; Deng, Jia-Li; Chen, Xiong; Xie, Cheng-Zhi; Qiao, Xin; Li, Qing-Zhong; Xu, Jing-Yuan

2018-04-15

A new aluminum ion fluorescent probe (4-(diethylamino)-2-hydroxybenzylidene)isoquinoline-1-carbohydrazide (HL 1 ) has been conveniently synthesized and characterized. HL 1 exhibited a highly selective and pronounced enhancement for Al 3+ in the fluorescence emission over other common cations by forming a 2:1 complex, with a recognition mechanism based on excited-state intramolecular proton transfer (ESIPT) and intramolecular charge transfer (ICT). The strong fluorescent emission can be observed even at ppm level concentration of the probe in the presence of Al 3+ with 41 fold intensity enhancement at 545 nm. HL 1 displays good linear relationship with Al 3+ in the low concentration and the limit of detection is 8.08 × 10 -8  mol/L. Similar molecules with different substituents on salicylaldehyde phenyl ring were synthesized for studying the structure-activity relationship. Density-functional theory (DFT) calculations are in agreement with the proposed mechanism. It is confirmed that HL 1 could be used to detect Al 3+ ions in real sample by fluorescence spectrometry and Al 3+ ions in cells by bioimaging. Copyright © 2018 Elsevier B.V. All rights reserved.

Comparison of the hydrological excitation functions HAM of polar motion for the period 1980.0-2007.0

NASA Astrophysics Data System (ADS)

Nastula, J.; Pasnicka, M.; Kolaczek, B.

2011-10-01

In this study we compared contributions of polar motion excitation determined from hydrological models and harmonic coefficients of the Earth gravity field obtained from Gravity Recovery and Climate Experiment (GRACE). Hydrological excitation function (hydrological angular momentum - HAM) has been estimated from models of global hydrology, based on the observed distribution of surface water, snow, ice and soil moisture. All of them were compared with observed Geodetic Angular Momentum (GAM), excitations of polar motion. The spectra of these excitation functions of polar motion and residual geodetic excitation function G-A-O obtained from GAM by elimination of atmospheric and oceanic excitation functions were computed too. Phasor diagrams of the seasonal components of the polar motion excitation functions of all HAM excitation functions as well as of two GRACE solutions: CSR, CNES were determined and discussed.

Properties of low-lying intruder states in 34Al and 34Si populated in the beta-decay of 34Mg

NASA Astrophysics Data System (ADS)

Licǎ, R.; Rotaru, F.; Negoitǎ, F.; Grévy, S.; Mǎrginean, N.; Desagne, Ph.; Stora, T.; Borcea, C.; Borcea, R.; Cǎlinescu, S.; Daugas, J. M.; Filipescu, D.; Kuti, I.; Fraile, L. M.; Franchoo, S.; Gheorghe, I.; Ghitǎ, D. G.; Mǎrginean, R.; Mihai, C.; Mourface, P.; Morel, P.; Mrazek, J.; Negret, A.; Pietreanu, D.; Sava, T.; Sohler, D.; Stǎnoiu, M.; Stefan, I.; Şuvǎilǎ, R.; Toma, S.; Ur, C. A.

2015-02-01

The results of the IS530 experiment at ISOLDE revealed new information concerning several nuclei close to the N ≈ 20 'Island of Inversion' - 34Mg , 34Al , 34Si . The half-life of 34Mg was found to be three times larger than the adopted value (63(1) ms instead of 20(10) ms). The beta-gamma spectroscopy of 34Mg performed for the first time in this experiment, led to the first experimental level scheme for 34Al , also showing that the full beta strength goes through the predicted 1+ isomer in 34Al [1] and/or excited states that deexcite to it. The subsequent beta-decay of the 1+ isomer in 34Al allowed the observation of new gamma lines in 34Si , (tentatively) associated with low-spin high-energy excited states previously unobserved.

Enhancement of red emission intensity of Ca2Al2SiO7:Eu3+ phosphor by MoO3 doping or excess SiO2 addition for application to white LEDs

NASA Astrophysics Data System (ADS)

Jiao, H. Y.; LiMao, C. R.; Chen, Q.; Wang, P. Y.; Cai, R. C.

2018-01-01

Ca1.86Al2(Si1-xMox)O7:0.14Eu3+ and Ca1.86Al2Si1+yO7+2y:0.14 Eu3+ were synthesized by solid-state reaction. X-ray powder diffraction, excitation and emission spectra were used to investigate their structures and photoluminescence properties. The results shows that the phosphor Ca1.86Al2SiO7:0.14Eu3+ cannot be excited efficiently by light of 393 nm. The introduced Mo ion does not change the position of the excitation peak, but increases both the absorption at 400nm and the emission intensity of Eu3+. The intense red emitting phosphor Ca1.86Al2(Si0.95Mo0.05)O7:0.14Eu3+ was obtained, which has 67% enhanced luminous intensity compared to that of the undoped sample Ca1.86Al2SiO7:0.14Eu3+. Otherwise, SiO2 excess of non-stoichiometric phosphors Ca1.86Al2Si1+yO7+2y:0.14Eu3+ showed the characteristic pattern of a tetragonal structure with a small SiO2 concentration. The optimal phosphor of Ca1.86Al2Si1.1O7.2:0.14Eu3+ has a luminous intensity about two times higher than that of the original stoichiometric phosphor Ca1.86Al2SiO7:0.14Eu3+. We confirmed that the photoluminescence intensity of the obtained phosphors is fairly enhanced by excessive SiO2. The mechanism of this photoluminescence enhancement is discussed in this paper.

Vortex, ULF wave and Aurora Observation after Solar Wind Dynamic Pressure Change

NASA Astrophysics Data System (ADS)

Shi, Q.

2017-12-01

Here we will summarize our recent study and show some new results on the Magnetosphere and Ionosphere Response to Dynamic Pressure Change/disturbances in the Solar Wind and foreshock regions. We study the step function type solar wind dynamic pressure change (increase/decrease) interaction with the magnetosphere using THEMIS satellites at both dayside and nightside in different geocentric distances. Vortices generated by the dynamic pressure change passing along the magnetopause are found and compared with model predictions. ULF waves and vortices are excited in the dayside and nightside plasma sheet when dynamic pressure change hit the magnetotail. The related ionospheric responses, such as aurora and TCVs, are also investigated. We compare Global MHD simulations with the observations. We will also show some new results that dayside magnetospheric FLRs might be caused by foreshock structures.Shi, Q. Q. et al. (2013), THEMIS observations of ULF wave excitation in the nightside plasma sheet during sudden impulse events, J. Geophys. Res. Space Physics, 118, doi:10.1029/2012JA017984. Shi, Q. Q. et al. (2014), Solar wind pressure pulse-driven magnetospheric vortices and their global consequences, J. Geophys. Res. Space Physics, 119, doi:10.1002/2013JA019551. Tian, A.M. et al.(2016), Dayside magnetospheric and ionospheric responses to solar wind pressure increase: Multispacecraft and ground observations, J. Geophys. Res., 121, doi:10.1002/2016JA022459. Shen, X.C. et al.(2015), Magnetospheric ULF waves with increasing amplitude related to solar wind dynamic pressure changes: THEMIS observations, J. Geophys. Res., 120, doi:10.1002/2014JA020913Zhao, H. Y. et al. (2016), Magnetospheric vortices and their global effect after a solar wind dynamic pressure decrease, J. Geophys. Res. Space Physics, 121, doi:10.1002/2015JA021646. Shen, X. C., et al. (2017), Dayside magnetospheric ULF wave frequency modulated by a solar wind dynamic pressure negative impulse, J. Geophys. Res., 122, doi:10.1002/2016JA023351.

Comparing axonal excitability in past polio to amyotrophic lateral sclerosis.

PubMed

Liang, Christina; Ng, Karl

2014-10-01

Poliomyelitis causes selective destruction of anterior horn cells and usually has a stable disease course post-infection. We assessed the excitability characteristics in patients with a stable course after past poliomyelitis and compared them with changes described in amyotrophic lateral sclerosis (ALS). The excitability characteristics of motor and sensory nerves were studied in 10 subjects with stable past poliomyelitis. Motor rheobase was increased, but there were no significant changes in strength-duration properties or depolarizing threshold electrotonus, as have been seen in previous studies of ALS. There is minimal change in axonal excitability properties in patients with stable past poliomyelitis. The results may signify sufficient compensation in the stable state of the disease. Increased subexcitability in 1 subject with demonstrable hyperexcitability may represent compensation for increased ectopic activity rather than a different process in surviving motor neurons. Muscle Nerve 50: 602-604, 2014. Copyright © 2014 Wiley Periodicals, Inc.

Rigorous proof for the nonlocal correlation function in the transverse Ising model with ring frustration.

PubMed

Dong, Jian-Jun; Zheng, Zhen-Yu; Li, Peng

2018-01-01

An unusual correlation function was conjectured by Campostrini et al. [Phys. Rev. E 91, 042123 (2015)PLEEE81539-375510.1103/PhysRevE.91.042123] for the ground state of a transverse Ising chain with geometrical frustration. Later, we provided a rigorous proof for it and demonstrated its nonlocal nature based on an evaluation of a Toeplitz determinant in the thermodynamic limit [J. Stat. Mech. (2016) 11310210.1088/1742-5468/2016/11/113102]. In this paper, we further prove that all the low excited energy states forming the gapless kink phase share the same asymptotic correlation function with the ground state. As a consequence, the thermal correlation function almost remains constant at low temperatures if one assumes a canonical ensemble.

Blue-green upconversion laser

DOEpatents

Nguyen, D.C.; Faulkner, G.E.

1990-08-14

A blue-green laser (450--550 nm) uses a host crystal doped with Tm[sup 3+]. The Tm[sup 3+] is excited through upconversion by a red pumping laser and an IR pumping laser to a state which transitions to a relatively lower energy level through emissions in the blue-green band, e.g., 450.20 nm at 75 K. The exciting laser may be tunable dye lasers or may be solid-state semiconductor laser, e.g., GaAlAs and InGaAlP. 3 figs.

Blue-green upconversion laser

DOEpatents

Nguyen, Dinh C.; Faulkner, George E.

1990-01-01

A blue-green laser (450-550 nm) uses a host crystal doped with Tm.sup.3+. The Tm.sup.+ is excited through upconversion by a red pumping laser and an IR pumping laser to a state which transitions to a relatively lower energy level through emissions in the blue-green band, e.g., 450.20 nm at 75 K. The exciting laser may be tunable dye lasers or may be solid-state semiconductor laser, e.g., GaAlAs and InGaAlP.

Theory of action spectroscopy for single-molecule reactions induced by vibrational excitations with STM

NASA Astrophysics Data System (ADS)

Frederiksen, T.; Paulsson, M.; Ueba, H.

2014-01-01

A theory of action spectroscopy, i.e., a reaction rate or yield as a function of bias voltage, is presented for single-molecule reactions induced by the inelastic tunneling current with a scanning tunneling microscope. A formula for the reaction yield is derived using the adsorbate resonance model, which provides a versatile tool to analyze vibrationally mediated reactions of single adsorbates on conductive surfaces. This allows us to determine the energy quantum of the excited vibrational mode, the effective broadening of the vibrational density of states (as described by Gaussian or Lorentzian functions), and a prefactor characterizing the elementary process behind the reaction. The underlying approximations are critically discussed. We point out that observation of reaction yields at both bias voltage polarities can provide additional insight into the adsorbate density of states near the Fermi level. As an example, we apply the theory to the case of flip motion of a hydroxyl dimer (OD)2 on Cu(110) which was experimentally observed by Kumagai et al. [Phys. Rev. B 79, 035423 (2009), 10.1103/PhysRevB.79.035423]. In combination with density functional theory calculations for the vibrational modes, the vibrational damping due to electron-hole pair generation, and the potential energy landscape for the flip motion, a detailed microscopic picture for the switching process is established. This picture reveals that the predominant mechanism is excitation of the OD stretch modes which couple anharmonically to the low-energy frustrated rotation mode.

Ensemble density variational methods with self- and ghost-interaction-corrected functionals

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

Pastorczak, Ewa; Pernal, Katarzyna, E-mail: pernalk@gmail.com

2014-05-14

Ensemble density functional theory (DFT) offers a way of predicting excited-states energies of atomic and molecular systems without referring to a density response function. Despite a significant theoretical work, practical applications of the proposed approximations have been scarce and they do not allow for a fair judgement of the potential usefulness of ensemble DFT with available functionals. In the paper, we investigate two forms of ensemble density functionals formulated within ensemble DFT framework: the Gross, Oliveira, and Kohn (GOK) functional proposed by Gross et al. [Phys. Rev. A 37, 2809 (1988)] alongside the orbital-dependent eDFT form of the functional introducedmore » by Nagy [J. Phys. B 34, 2363 (2001)] (the acronym eDFT proposed in analogy to eHF – ensemble Hartree-Fock method). Local and semi-local ground-state density functionals are employed in both approaches. Approximate ensemble density functionals contain not only spurious self-interaction but also the so-called ghost-interaction which has no counterpart in the ground-state DFT. We propose how to correct the GOK functional for both kinds of interactions in approximations that go beyond the exact-exchange functional. Numerical applications lead to a conclusion that functionals free of the ghost-interaction by construction, i.e., eDFT, yield much more reliable results than approximate self- and ghost-interaction-corrected GOK functional. Additionally, local density functional corrected for self-interaction employed in the eDFT framework yields excitations energies of the accuracy comparable to that of the uncorrected semi-local eDFT functional.« less

Identification of analog states in the T=1/2 A=27 mirror system from low excitation energies to the region of hydrogen burning in the {sup 26}Al{sup g,m}(p,{gamma}){sup 27}Si reactions

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

Lotay, G.; Woods, P. J.; Seweryniak, D.

2011-09-15

The reactions {sup 26}Al{sup g}(p, {gamma}){sup 27}Si and {sup 26}Al{sup m}(p, {gamma}){sup 27}Si are important for influencing the galactic abundance of the cosmic {gamma}-ray emitter {sup 26}Al{sup g} and for the excess abundance of {sup 26}Mg found in presolar grains, respectively. Precise excitation energies and spin assignments of states from the ground state to the region of astrophysical interest in {sup 27}Si, including the identification and pairing of key astrophysical resonances with analog states in the mirror nucleus {sup 27}Al, are reported using {gamma} rays observed in the {sup 12}C + {sup 16}O fusion reaction. The detailed evolution of Coulombmore » energy differences between the states in {sup 27}Si and {sup 27}Al is explored, including the region above the astrophysical reaction thresholds.« less

Benchmarking fully analytic DFT force fields for vibrational spectroscopy: A study on halogenated compounds

NASA Astrophysics Data System (ADS)

Pietropolli Charmet, Andrea; Cornaton, Yann

2018-05-01

This work presents an investigation of the theoretical predictions yielded by anharmonic force fields having the cubic and quartic force constants are computed analytically by means of density functional theory (DFT) using the recursive scheme developed by M. Ringholm et al. (J. Comput. Chem. 35 (2014) 622). Different functionals (namely B3LYP, PBE, PBE0 and PW86x) and basis sets were used for calculating the anharmonic vibrational spectra of two halomethanes. The benchmark analysis carried out demonstrates the reliability and overall good performances offered by hybrid approaches, where the harmonic data obtained at the coupled cluster with single and double excitations level of theory augmented by a perturbational estimate of the effects of connected triple excitations, CCSD(T), are combined with the fully analytic higher order force constants yielded by DFT functionals. These methods lead to reliable and computationally affordable calculations of anharmonic vibrational spectra with an accuracy comparable to that yielded by hybrid force fields having the anharmonic force fields computed at second order Møller-Plesset perturbation theory (MP2) level of theory using numerical differentiation but without the corresponding potential issues related to computational costs and numerical errors.

Photoluminescence of Alq3 - and Tb-activated aluminium-tris(8-hydroxyquinoline) complex for blue chip-excited OLEDs.

PubMed

Yawalkar, P W; Dhoble, S J; Thejo Kalyani, N; Atram, R G; Kokode, N S

2013-01-01

The tris(8-hydroxyquinoline)-aluminium complex is the most important and widely studied as electron transporting and green light emitting material. Alq(3) and Tb(x) Al((1-x)) q(3) have been synthesized (where x = 0.1, 0.3, 0.5, 0.7 and 0.9) and blended films of Alq(3) and Tb(x) Al((1-x)) q(3) with PMMA and PS at different percentage weight (wt%) concentrations (e.g., 0.1, 1, 5, 10, 25 and 50 wt%) have been prepared. The synthesized materials and their blended thin films have been characterized by a photoluminescence (PL) technique; the synthesis and PL characterization are reported in this paper. The synthesized metal complex shows bright emission of green light with blue light excitation (440 nm) and the prepared Tb(x) Al((1-x)) q(3) phosphor may be applicable in blue chip-excited OLEDs for the newly developed wallpaper lighting technology. Copyright © 2012 John Wiley & Sons, Ltd.

Electronic properties of Al xGa 1- xAs surface passivated by ultrathin silicon interface control layer

NASA Astrophysics Data System (ADS)

Adamowicz, B.; Miczek, M.; Ikeya, K.; Mutoh, M.; Saitoh, T.; Fujikura, H.; Hasegawa, H.

1999-03-01

The photoluminescence surface state spectroscopy (PLS 3) method was applied to a study of the surface state distribution ( NSS), effective surface recombination velocity ( Seff), electron ( EFn) and hole ( EFp) quasi-Fermi levels and band bending ( VS) on the Al 0.33Ga 0.67As surface air-exposed and passivated by the Si interface control layer (ICL) technique. Using the detailed measurements of the PL quantum efficiency for different excitation intensities, combined with the rigorous computer simulations of the bulk and surface recombination processes, the behavior and correlation among the surface characteristics under photo-excitation was determined. The present analysis indicated that forming of a Si 3N 4/Si ICL double layer (with a monolayer level control) on AlGaAs surface reduces the minimum interface state density down to 10 10 cm -2 eV -1 and surface recombination velocity to the range of 10 4 cm/s under low excitations.

Development of nanostructured EuAl2O4 phosphors with strong long-UV excitation.

PubMed

Hirata, Gustavo A; Bosze, Eric J; McKittrick, Joanna

2008-12-01

Fueled by the need to develop novel materials for applications in solid state white-emitting lamps we have improved a new low-cost, clean and efficient technique to produce high luminescence phosphors with strong excitation in the long-UV range (350-400 nm) which makes them useful for applications in GaN-based solid state lamps. In this work, pressurized combustion synthesis has been successfully used to develop EuAl2O4 (europium aluminate), a new green photoluminescent material with monoclinic structure. The combustion synthesis reaction conditions can be adjusted to produce either the AlEuO3 orthorhombic phase at low pressures (0.1 MPa), or the new monoclinic EuAl2O4 phase, which is apparently more thermodynamically favorable at higher combustion reaction pressures (1.4 MPa). The luminescent material is a high surface area powder (approximately 50 m2/g) composed mainly of nanostructured needles and plates with 5-10 nm in diameter and 100-150 nm in length. A broad emission peak centered at 530 nm with a decay time of 1.5 approximately 2 ms is obtained at the maximum excitation wavelength lambda(exc) = 370 nm.

A simple model of solvent-induced symmetry-breaking charge transfer in excited quadrupolar molecules

NASA Astrophysics Data System (ADS)

Ivanov, Anatoly I.; Dereka, Bogdan; Vauthey, Eric

2017-04-01

A simple model has been developed to describe the symmetry-breaking of the electronic distribution of AL-D-AR type molecules in the excited state, where D is an electron donor and AL and AR are identical acceptors. The origin of this process is usually associated with the interaction between the molecule and the solvent polarization that stabilizes an asymmetric and dipolar state, with a larger charge transfer on one side than on the other. An additional symmetry-breaking mechanism involving the direct Coulomb interaction of the charges on the acceptors is proposed. At the same time, the electronic coupling between the two degenerate states, which correspond to the transferred charge being localised either on AL or AR, favours a quadrupolar excited state with equal amount of charge-transfer on both sides. Because of these counteracting effects, symmetry breaking is only feasible when the electronic coupling remains below a threshold value, which depends on the solvation energy and the Coulomb repulsion energy between the charges located on AL and AR. This model allows reproducing the solvent polarity dependence of the symmetry-breaking reported recently using time-resolved infrared spectroscopy.

Determination of focal mechanisms of intermediate-magnitude earthquakes in Mexico, based on Greens functions calculated for a 3D Earth model

NASA Astrophysics Data System (ADS)

Rodrigo Rodríguez Cardozo, Félix; Hjörleifsdóttir, Vala

2015-04-01

One important ingredient in the study of the complex active tectonics in Mexico is the analysis of earthquake focal mechanisms, or the seismic moment tensor. They can be determined trough the calculation of Green functions and subsequent inversion for moment-tensor parameters. However, this calculation is gets progressively more difficult as the magnitude of the earthquakes decreases. Large earthquakes excite waves of longer periods that interact weakly with laterally heterogeneities in the crust. For these earthquakes, using 1D velocity models to compute the Greens fucntions works well. The opposite occurs for smaller and intermediate sized events, where the relatively shorter periods excited interact strongly with lateral heterogeneities in the crust and upper mantle and requires more specific or regional 3D models. In this study, we calculate Greens functions for earthquakes in Mexico using a laterally heterogeneous seismic wave speed model, comprised of mantle model S362ANI (Kustowski et al 2008) and crustal model CRUST 2.0 (Bassin et al 1990). Subsequently, we invert the observed seismograms for the seismic moment tensor using a method developed by Liu et al (2004) an implemented by Óscar de La Vega (2014) for earthquakes in Mexico. By following a brute force approach, in which we include all observed Rayleigh and Love waves of the Mexican National Seismic Network (Servicio Sismológico Naciona, SSN), we obtain reliable focal mechanisms for events that excite a considerable amount of low frequency waves (Mw > 4.8). However, we are not able to consistently estimate focal mechanisms for smaller events using this method, due to high noise levels in many of the records. Excluding the noisy records, or noisy parts of the records manually, requires interactive edition of the data, using an efficient tool for the editing. Therefore, we developed a graphical user interface (GUI), based on python and the python library ObsPy, that allows the edition of observed and synthetic seismograms data such as signal filtering, choosing and disregarding traces and manual adjustment of time windows, to only include segments where the noise are excluded as much as possible. Subsequently, we invert for the seismic moment tensor of events of variable magnitude in the Mexican territory and compare the results to those obtained by other methods. In this presentation we introduce the software and present the results from the moment-tensor inversions.

Insights into the Influence of Work Functions of Cathodes on Efficiencies of Perovskite Solar Cells.

PubMed

Yue, Shizhong; Lu, Shudi; Ren, Kuankuan; Liu, Kong; Azam, Muhammad; Cao, Dawei; Wang, Zhijie; Lei, Yong; Qu, Shengchun; Wang, Zhanguo

2017-05-01

Though various efforts on modification of electrodes are still undertaken to improve the efficiency of perovskite solar cells, attributing to the large scope of these methods, it is of significance to unveil the working principle systematically. Herein, inverted perovskite solar cells based on indium tin oxide (ITO)/poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS)/CH 3 NH 3 PbI 3 /phenyl-C61-butyric acid methyl ester (PC 61 BM)/buffer metal/Al are constructed. Through the choice of different buffer metals to tune work function of the cathode, the contact nature of the active layer with the cathode could be manipulated well. In comparison with the device using Au/Al as the electrode that shows an unfavorable band bending for conducting the excited electrons to the cathode, the one with Ca/Al presents a dramatically improved efficiency over 17.1%, ascribed to the favorable band bending at the interface of the cathode with the active layer. Details for tuning the band bending and the corresponding charge transfer mechanism are given in a systematic manner. Thus, a general guideline for constructing perovskite photovoltaic devices efficiently is provided. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic and chemical state of aluminum from the single- (K) and double-electron excitation (KL II&III, KL I) x-ray absorption near-edge spectra of α-alumina, sodium aluminate, aqueous Al³⁺•(H₂O)₆, and aqueous Al(OH)₄⁻

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

Fulton, John L.; Govind, Niranjan; Huthwelker, Thomas

2015-07-02

We probe, at high energy resolution, the double electron excitation (KL II&II) x-ray absorption region that lies approximately 115 eV above the main Al K-edge (1566 eV) of α-alumina and sodium aluminate. The two solid standards, α-alumina (octahedral) and sodium aluminate (tetrahedral) are compared to aqueous species that have the same Al coordination symmetries, Al³⁺•6H₂O (octahedral) and Al(OH)₄⁻ (tetrahedral). For the octahedral species, the edge height of the KL II&III-edge is approximately 10% of the main K-edge however the edge height is much weaker (3% of K-edge height) for Al species with tetrahedral symmetry. For the α-alumina and aqueous Al³⁺•6H₂Omore » the KL II&III spectra contain white line features and extended absorption fine structure (EXAFS) that mimics the K-edge spectra. The KL II&III-edge feature interferes with an important region of the extended-XAFS region of the spectra for the K-edge of the crystalline and aqueous standards. The K-edge spectra and K-edge positions are predicted using time-dependent density functional theory (TDDFT). The TDDFT calculations for the K-edge XANES spectra reproduce the observed transitions in the experimental spectra of the four Al species. The KL II&III and KL I onsets and their corresponding chemical shifts for the four standards are estimated using the delta self-consistent field (ΔSCF) method. Research by JLF, NG, EJB, AV, TDS was supported by U.S. Department of Energy’s (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. NG thanks Amity Andersen for help with the α-Al₂O₃ and tetrahedral sodium aluminate (NaAlO₂) clusters. All the calculations were performed using the Molecular Science Computing Capability at EMSL, a national scientific user facility sponsored by the U.S. Department of Energy’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated for DOE by Battelle under Contract # AC05-76RL01830.« less

Rotational relaxation of AlO+(1Σ+) in collision with He

NASA Astrophysics Data System (ADS)

Denis-Alpizar, O.; Trabelsi, T.; Hochlaf, M.; Stoecklin, T.

2018-03-01

The rate coefficients for the rotational de-excitation of AlO+ by collisions with He are determined. The possible production mechanisms of the AlO+ ion in both diffuse and dense molecular clouds are first discussed. A set of ab initio interaction energies is computed at the CCSD(T)-F12 level of theory, and a three-dimensional analytical model of the potential energy surface is obtained using a linear combination of reproducing kernel Hilbert space polynomials together with an analytical long range potential. The nuclear spin free close-coupling equations are solved and the de-excitation rotational rate coefficients for the lower 15 rotational states of AlO+ are reported. A propensity rule to favour Δj = -1 transitions is obtained while the hyperfine resolved state-to-state rate coefficients are also discussed.

The decay of hot nuclei formed in La-induced reactions at E/A=45 MeV

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

Libby, Bruce

1993-01-01

The decay of hot nuclei formed in the reactions 139La + 27Al, 51V, natCu, and 139La were studied by the coincident detection of up to four complex fragments (Z > 3) emitted in these reactions. Fragments were characterized as to their atomic number, energy and in- and out-of-plane angles. The probability of the decay by an event of a given complex fragment multiplicity as a function of excitation energy per nucleon of the source is nearly independent of the system studied. Additionally, there is no large increase in the proportion of multiple fragment events as the excitation energy of themore » source increases past 5 MeV/nucleon. This is at odds with many prompt multifragmentation models of nuclear decay. The reactions 139La + 27Al, 51V, natCu were also studied by combining a dynamical model calculation that simulates the early stages of nuclear reactions with a statistical model calculation for the latter stages of the reactions. For the reaction 139La + 27Al, these calculations reproduced many of the experimental features, but other features were not reproduced. For the reaction 139La + 51V, the calculation failed to reproduce somewhat more of the experimental features. The calculation failed to reproduce any of the experimental features of the reaction 139La + natCu, with the exception of the source velocity distributions.« less

The decay of hot nuclei formed in La-induced reactions at E/A=45 MeV

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

Libby, B.

1993-01-01

The decay of hot nuclei formed in the reactions [sup 139]La + [sup 27]Al, [sup 51]V, [sup nat]Cu, and [sup 139]La were studied by the coincident detection of up to four complex fragments (Z > 3) emitted in these reactions. Fragments were characterized as to their atomic number, energy and in- and out-of-plane angles. The probability of the decay by an event of a given complex fragment multiplicity as a function of excitation energy per nucleon of the source is nearly independent of the system studied. Additionally, there is no large increase in the proportion of multiple fragment events asmore » the excitation energy of the source increases past 5 MeV/nucleon. This is at odds with many prompt multifragmentation models of nuclear decay. The reactions [sup 139]La + [sup 27]Al, [sup 51]V, [sup nat]Cu were also studied by combining a dynamical model calculation that simulates the early stages of nuclear reactions with a statistical model calculation for the latter stages of the reactions. For the reaction [sup 139]La + [sup 27]Al, these calculations reproduced many of the experimental features, but other features were not reproduced. For the reaction [sup 139]La + [sup 51]V, the calculation failed to reproduce somewhat more of the experimental features. The calculation failed to reproduce any of the experimental features of the reaction [sup 139]La + [sup nat]Cu, with the exception of the source velocity distributions.« less

Hydrological excitation of polar motion

NASA Astrophysics Data System (ADS)

Nastula, Y.; Kolaczek, B.

2006-08-01

Hydrological excitation of the polar motion (HAM) were computed from the available recently hydrological data series (NCEP, ECMWF, CPC water storage and LaD World simulations of global continental water) and compared. Time variable seasonal spectra of these hydrological excitation functions and of the geodetic excitation function of polar motion computed from the polar motion COMB03 data were compared showing big differences in their temporal characteristics and the necessity of the further improvement of the HAM models. Seasonal oscillations of the global geophysical excitation functions (AAM + OAM + HAM) and their time variations were compared also. These hydrological excitation functions do not close the budget of the global geophysical excitation function of polar motion.

Vibration-rotation interactions and ring-puckering in 3,3-dimethyl oxetane by microwave spectroscopy

NASA Astrophysics Data System (ADS)

López, Juan C.; Lesarri, Alberto G.; Villamañán, Rosa M.; Alonso, Josél.

1990-06-01

Ring puckering in 3,3-dimethyl oxetane has been investigated using microwave spectroscopy. Microwave spectra of the ground state, the first six ring-puckering excited states, and nine excited states of the methyl groups' deformation vibrations have been observed. The μa electric dipole moment component has been determined as 2.03(3) D from Stark-effect measurements. The vibrational dependence of the rotational constants is consistent with the ring-puckering potential function derived by Duckett et al. ( J. Mol. Spectrosc.69, 159-165 (1978)). Coriolis coupling interactions have been observed and are satisfactorily accounted for with a quartic centrifugal distortion Hamiltonian. The vibrational dependence of the centrifugal distortion constants has been analyzed using the theory developed by Creswell and Mills. In order to reproduce the experimental value of the vibration-rotation interaction parameter, {δμ ab}/{δQ}, a dynamical model allowing the rocking of the CH 3CCH 3 group should be used. The equilibrium ring puckering angle calculated with this model and the ring-puckering potential function is 17.5°.

Structural and functional evaluation of cortical motor areas in Amyotrophic Lateral Sclerosis.

PubMed

Cosottini, Mirco; Pesaresi, Ilaria; Piazza, Selina; Diciotti, Stefano; Cecchi, Paolo; Fabbri, Serena; Carlesi, Cecilia; Mascalchi, Mario; Siciliano, Gabriele

2012-03-01

The structural and functional data gathered with Magnetic Resonance Imaging (MRI) techniques about the brain cortical motor damage in Amyotrophic Lateral Sclerosis (ALS) are controversial. In fact some structural MRI studies showed foci of gray matter (GM) atrophy in the precentral gyrus, even in the early stage, while others did not. Most functional MRI (fMRI) studies in ALS reported hyperactivation of extra-primary motor cortices, while contradictory results were obtained on the activation of the primary motor cortex. We aimed to investigate the cortical motor circuitries in ALS patients by a combined structural and functional approach. Twenty patients with definite ALS and 16 healthy subjects underwent a structural examination with acquisition of a 3D T1-weighted sequence and fMRI examination during a maximal force handgrip task executed with the right-hand, the left-hand and with both hands simultaneously. The T1-weighted images were analyzed with Voxel-Based Morphometry (VBM) that showed several clusters of reduced cortical GM in ALS patients compared to controls including the pre and postcentral gyri, the superior, middle and inferior frontal gyri, the supplementary motor area, the superior and inferior parietal cortices and the temporal lobe, bilaterally but more extensive on the right side. In ALS patients a significant hypoactivation of the primary sensory motor cortex and frontal dorsal premotor areas as compared to controls was observed. The hypoactivated areas matched with foci of cortical atrophy demonstrated by VBM. The fMRI analysis also showed an enhanced activation in the ventral premotor frontal areas and in the parietal cortex pertaining to the fronto-parietal motor circuit which paralleled with disease progression rate and matched with cortical regions of atrophy. The hyperactivation of the fronto-parietal circuit was asymmetric and prevalent in the left hemisphere. VBM and fMRI identified structural and functional markers of an extended cortical damage within the motor circuit of ALS patients. The functional changes in non-primary motor cortices pertaining to fronto-parietal circuit suggest an over-recruitment of a pre-existing physiological sensory-motor network. However, the concomitant fronto-parietal cortical atrophy arises the possibility that such a hyper-activation reflects cortical hyper-excitability due to loss of inhibitory inter-neurons. Copyright © 2011 Elsevier Inc. All rights reserved.

Luminescent properties of Cr-doped (GdX, Y1-X)3Al5O12 infra-red scintillator crystals

NASA Astrophysics Data System (ADS)

Suzuki, Akira; Kurosawa, Shunsuke; Yamaji, Akihiro; Shoji, Yasuhiro; Pejchal, Jan; Kamada, Kei; Yokota, Yuui; Yoshikawa, Akira

2014-10-01

Cr-doped (GdX Y1-X)3Al5O12 (X = 0, 0.25, 0.50) crystals prepared by the micro-pulling down method were investigated to develop a infra-red scintillator for implantable patient dosimeter in radiation therapy. In order to evaluate their optical and scintillation performance, the following properties were measured: (i) transmittance between ultra-violet and near-infra red region, (ii) photoluminescence spectra under Xe-lamp excitation, and (iii) X-ray excited radio-luminescence spectra. Cr:Y3Al5O12 and Cr:(Gd0.25 Y0.75)3Al5O12 crystals showed increased transmittance of 80%, while Cr:(Gd0.50 Y0.50)3Al5O12 had a lower transmittance of 40% due to its polycrystalline structure. In addition, all the Cr:(GdX Y1-X)3Al5O12 crystals showed sharp scintillation luminescence peaks ascribed to Cr3+ d-d transitions. Therefore, these results suggested that Cr:Y3Al5O12 and Cr:(Gd0.25 Y0.75)3Al5O12 crystals can be candidate materials for the dosimeter use.

Direct Electron Impact Excitation of Rydberg-Valence States of Molecular Nitrogen

NASA Astrophysics Data System (ADS)

Malone, C. P.; Johnson, P. V.; Liu, X.; Ajdari, B.; Muleady, S.; Kanik, I.; Khakoo, M. A.

2012-12-01

Collisions between electrons and neutral N2 molecules result in emissions that provide an important diagnostic probe for understanding the ionospheric energy balance and the effects of space weather in upper atmospheres. Also, transitions to singlet ungerade states cause N2 to be a strong absorber of solar radiation in the EUV spectral range where many ro-vibrational levels of these Rydberg-valence (RV) states are predissociative. Thus, their respective excitation and emission cross sections are important parameters for understanding the [N]/[N2] ratio in the thermosphere of nitrogen dominated atmospheres. The following work provides improved constraints on absolute and relative excitation cross sections of numerous RV states of N2, enabling more physically accurate atmospheric modeling. Here, we present recent integral cross sections (ICSs) for electron impact excitation of RV states of N2 [6], which were based on the differential cross sections (DCSs) derived from electron energy-loss (EEL) spectra of [5]. This work resulted in electronic excitation cross sections over the following measured vibrational levels: b 1Πu (v‧=0-14), c3 1Πu (v‧=0-3), o3 1Πu (v‧=0-3), b‧ 1Σu+ (v‧=0-10), c‧4 1Σu+ (v‧=0-3), G 3Πu (v‧=0-3), and F 3Πu (v‧=0-3). We further adjusted the cross sections of the RV states by extending the vibronic contributions to unmeasured v‧-levels via the relative excitation probabilities (REPs) as discussed in [6]. This resulted in REP-scaled ICSs over the following vibrational levels for the singlet ungerade states: b(0-19), c3(0-4), o3(0-4), b‧(0-16), and c‧4(0-8). Comparison of the ICSs of [6] with available EEL based measurements, theoretical calculations, and emission based work generally shows good agreement within error estimations, except with the recent reevaluation provided by [1]. Further, we have extended these results, using the recent EEL data of [3], to include the unfolding of better resolved features above ~13.82eV. This effort is to provide improved cross sections for these RV states, in particular for the b‧ 1Σu+ and c‧4 1Σu+ states, with inclusion of more upper vibrational levels. Future optical emission work should include re-measurements of excitation shape functions of the singlet ungerade states utilizing better spectral resolution than past determinations (e.g., [2,4]) to avoid uncertainties associated with unresolved and/or blended spectral features as well as J-dependent predissociation. Further development of theoretical treatments of N2 excitation is also in need. We will also present analysis of our new low-energy, near-threshold excitation cross sections for the valence states of N2, including a 1Πg (v‧) levels. Acknowledgement: This work was performed at CSUF and JPL, Caltech, under contract with NASA. We gratefully acknowledge financial support through NASA's OPR and PATM programs and NSF-PHY-RUI-0096808 & -0965793 and NSF-AGS-0938223. References: [1] Ajello, J. M., M. H. Stevens, I. Stewart, et al. (2007), GRL, 34, L24204 [2] Ajello, J. M., G. K. James, and B. O. Franklin (1989), PRA, 40, 3524-56 [3] Heays, A. N., B. R. Lewis, S. T. Gibson, et al. (2012), PRA, 85, 012705 [4] James, G. K., J. M. Ajello, B. Franklin, and D. E. Shemansky (1990), JPB, 23, 2055-81 [5] Khakoo, M. A., C. P. Malone, P. V. Johnson, et al. (2008), PRA, 77, 012704 [6] Malone, C. P., P. V. Johnson, X. Liu, et al. (2012), PRA, 85, 062704

Lowest triplet (n, π*) electronic state of acrolein: Determination of structural parameters by cavity ringdown spectroscopy and quantum-chemical methods

NASA Astrophysics Data System (ADS)

Hlavacek, Nikolaus C.; McAnally, Michael O.; Drucker, Stephen

2013-02-01

The cavity ringdown absorption spectrum of acrolein (propenal, CH2=CH—CH=O) was recorded near 412 nm, under bulk-gas conditions at room temperature and in a free-jet expansion. The measured spectral region includes the 0^0_0 band of the T1(n, π*) ← S0 system. We analyzed the 0^0_0 rotational contour by using the STROTA computer program [R. H. Judge et al., J. Chem. Phys. 103, 5343 (1995)], 10.1063/1.470569, which incorporates an asymmetric rotor Hamiltonian for simulating and fitting singlet-triplet spectra. We used the program to fit T1(n, π*) inertial constants to the room-temperature contour. The determined values (cm-1), with 2σ confidence intervals, are A = 1.662 ± 0.003, B = 0.1485 ± 0.0006, C = 0.1363 ± 0.0004. Linewidth analysis of the jet-cooled spectrum yielded a value of 14 ± 2 ps for the lifetime of isolated acrolein molecules in the T1(n, π*), v = 0 state. We discuss the observed lifetime in the context of previous computational work on acrolein photochemistry. The spectroscopically derived inertial constants for the T1(n, π*) state were used to benchmark a variety of computational methods. One focus was on complete active space methods, such as complete active space self-consistent field (CASSCF) and second-order perturbation theory with a CASSCF reference function (CASPT2), which are applicable to excited states. We also examined the equation-of-motion coupled-cluster and time-dependent density function theory excited-state methods, and finally unrestricted ground-state techniques, including unrestricted density functional theory and unrestricted coupled-cluster theory with single and double and perturbative triple excitations. For each of the above methods, we or others [O. S. Bokareva et al., Int. J. Quantum Chem. 108, 2719 (2008)], 10.1002/qua.21803 used a triple zeta-quality basis set to optimize the T1(n, π*) geometry of acrolein. We find that the multiconfigurational methods provide the best agreement with fitted inertial constants, while the economical unrestricted Perdew-Burke-Ernzerhof exchange-correlation hybrid functional (UPBE0) technique performs nearly as well.

Spatial and spectral resolution of carbonaceous material from hematite (α-Fe2O3) using multivariate curve resolution-alternating least squares (MCR-ALS) with Raman microspectroscopic mapping: implications for the search for life on Mars.

PubMed

Smith, Joseph P; Smith, Frank C; Booksh, Karl S

2017-08-21

The search for evidence of extant or past life on Mars is a primary objective of both the upcoming Mars 2020 rover (NASA) and ExoMars 2020 rover (ESA/Roscosmos) missions. This search will involve the detection and identification of organic molecules and/or carbonaceous material within the Martian surface environment. For the first time on a mission to Mars, the scientific payload for each rover will include a Raman spectrometer, an instrument well-suited for this search. Hematite (α-Fe 2 O 3 ) is a widespread mineral on the Martian surface. The 2LO Raman band of hematite and the Raman D-band of carbonaceous material show spectral overlap, leading to the potential misidentification of hematite as carbonaceous material. Here we report the ability to spatially and spectrally differentiate carbonaceous material from hematite using multivariate curve resolution-alternating least squares (MCR-ALS) applied to Raman microspectroscopic mapping under both 532 nm and 785 nm excitation. For this study, a sample comprised of hematite, carbonaceous material, and substrate-adhesive epoxy in spatially distinct domains was constructed. Principal component analysis (PCA) reveals that both 532 nm and 785 nm excitation produce representative three-phase systems of hematite, carbonaceous material, and substrate-adhesive epoxy in the analyzed sample. MCR-ALS with Raman microspectroscopic mapping using both 532 nm and 785 nm excitation was able to resolve hematite, carbonaceous material, and substrate-adhesive epoxy by generating spatially-resolved chemical maps and corresponding Raman spectra of these spatially distinct chemical species. Moreover, MCR-ALS applied to the combinatorial data sets of 532 nm and 785 nm excitation, which contain hematite and carbonaceous material within the same locations, was able to resolve hematite, carbonaceous material, and substrate-adhesive epoxy. Using multivariate analysis with Raman microspectroscopic mapping, 785 nm excitation more effectively resolved hematite, carbonaceous material, and substrate-adhesive epoxy as compared to 532 nm excitation. To our knowledge, this is the first report of multivariate analysis methods, namely MCR-ALS, with Raman microspectroscopic mapping being employed to differentiate carbonaceous material from hematite. We have therefore provided an analytical methodology useful for the search for extant or past life on the surface of Mars.

Impurity States and diamagnetic susceptibility of a donor in a triangular quantum well

NASA Astrophysics Data System (ADS)

Kalpana, P.; Reuben, A. Merwyn Jasper D.; Nithiananthi, P.; Jayakumar, K.

2017-05-01

We have calculated the binding energy and the diamagnetic susceptibility(χdia) of the ground (1s) and few low lying excited states (2s and 2p±) in a GaAs/AlxGa1-xAs Triangular Quantum Well (TQW) for the Al composition of x = 0.3. Since the estimation of gives the carrier localization in nanostructured systems and also the calculation of (χdia) involves the , the same has also been estimated as a function of well width. The Schrodinger equation has been solved using variational technique involving Airy functions in the effective mass approximation. The results are presented and discussed.

Optical characterization of type-I to type-II band alignment transition in GaAs/Al x Ga1-x As quantum rings grown by droplet epitaxy

NASA Astrophysics Data System (ADS)

Su, Linlin; Wang, Ying; Guo, Qinglin; Li, Xiaowei; Wang, Shufang; Fu, Guangsheng; Mazur, Yuriy I.; E Ware, Morgan; Salamo, Gregory J.; Liang, Baolai; Huffaker, Diana L.

2017-08-01

Optical properties of GaAs/Al x Ga1-x As quantum rings (QRs) grown on GaAs (1 0 0) by droplet epitaxy have been investigated as a function of the Al-composition in the Al x Ga1-x As barrier. A transition from type-I to type-II band alignment is observed for the QRs via photoluminescence (PL) and time-resolved photoluminescence (TRPL) measurements. While x  ⩽  0.45, the QR PL spectra show a blue-shift and an increasing intensity with increasing Al-composition, revealing the enhancement of quantum confinement in the QRs with type-I band alignment. While x  ⩾  0.60, the characteristic large blue-shift with excitation intensity and the much longer lifetime indicate the realization of a type-II band alignment. Due to the height fluctuation of QR structures grown by droplet epitaxy mode, it is not the large blue-shift of emission energy, but the long lifetime that becomes the more important feature to identify the type-II band alignment.

Nuclear Data Sheets for A=37

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

Cameron J.; Nica N.; Cameron,J.

2012-02-01

Nuclear spectroscopic information for experimentally investigated nuclides of mass 37 (Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca) has been evaluated. The principal sources of the 'adopted levels' presented for nuclides close to the stability line are Endt's evaluations (1990En08, 1978En02). The data sets for reactions and decays, including all available gamma-ray data, are based mostly on the original literature. There are no data available for the excited states in {sup 37}Na, {sup 37}Mg, {sup 37}Al; and for {sup 37}Si, only one excited state is known.

Chirality, Metallicity, and Transition Dependent Asymmetries in Resonance Raman Excitation Profiles of Chirality-Enriched Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Doorn, Stephen; Duque, Juan; Telg, Hagen; Haroz, Erik; Tu, Xiaomin; Zheng, Ming

2014-03-01

Access to carbon nanotube samples enriched in single chiralities allows the observation of new photophysical behaviors obscured or difficult to demonstrate in mixed-chirality ensembles. Recent examples include the observation of strongly asymmetric G-band excitation profiles resulting from non-Condon effects1 and the unambiguous demonstration of Raman interference effects.2 We present here our most recent results demonstrating the generality of the non-Condon behavior to include metallic species (specifically several armchair chiralities). Additionally, the Eii dependence in non-Condon behavior with excitations from E11 thru E44 for both RBM and G modes will be discussed. 1. J.G. Duque, et. al., ACS Nano, 5, 5233 (2011). 2. J.G. Duque, et. al., Phys. Rev. Lett. 108, 117404 (2012).

Role of Ga particulates on the structure and optical properties of Y3(Al,Ga)5O12:Tb thin films prepared by PLD

NASA Astrophysics Data System (ADS)

Yousif, A.; Duvenhage, M. M.; Ntwaeaborwa, O. M.; Swart, H. C.

2018-04-01

Y3(Al,Ga)5O12:Tb thin films (70 nm) have been prepared by pulsed laser deposition on a Si (100) substrate at the substrate temperature of 300 °C. The effect of annealing time on the structural, morphological and luminescence properties of Y3(Al,Ga)5O12:Tb thin films at 800 °C were studied. The crystal structure of the samples was studied by X- ray diffraction (XRD) and showed shifts in the peak positions to lower diffraction angles for the annealed film compared to the XRD peak positions of the commercial Y3(Al,Ga)5O12:Tb powder. A new excitation band different from the original Y3(Al,Ga)5O12:Tb powder was also observed for the annealed films. The shift in the XRD pattern and the new excitation band for the annealed film suggested that the films were enriched with Ga after annealing.

Plume dynamics from UV pulsed ablation of Al and Ti

NASA Astrophysics Data System (ADS)

Bauer, William; Perram, Glen; Haugan, Timothy

2016-12-01

Pulsed laser ablation of Al and Ti with a < 3.3 J/cm2 KrF laser and Ar background pressure of up to 1 Torr was performed to study the ablated plume. Mass loss experiments revealed the number of ablated atoms per pulse increases by 30% for Ti and 20% for Al as pressure decreases from 1 Torr to vacuum. Optical emission imaging performed using a gated ICCD revealed a strong dependence of shock front parameters, defined by the Sedov-Taylor blast and classical drag models, on background pressure. Spatially resolved optical emission spectroscopy from Al I, Al II, Ti I, and Ti II revealed ion temperatures of 104 K that decreased away from the target surface along the surface normal and neutral temperatures of 103 K independent of target distance. Comparison between kinetic energy in the shock and internal excitation energy reveals that nearly 100% of the energy is partitioned into shock front kinetic energy and 1% into internal excitation.

Primary quantum yields of NO2 photodissociation

NASA Technical Reports Server (NTRS)

Gardner, Edward P.; Sperry, Paul D.; Calvert, Jack G.

1987-01-01

The quantum yields of formation of NO, O2, and NO2 loss are measured for NO2 vapor at low pressures (0.13-0.30 torr) irradiated at 334-405 nm wavelengths and temperature in the range 273-370 K in order to study the primary quantum efficiencies of NO2 photodecomposition. The temperature and wavelength dependences of the primary quantum efficiencies are examined. It is observed that the primary quantum efficiencies increase rapidly from near zero at 424 nm to near unity for excitation at wavelengths less than 394 nm. The theory of Pitts et al. (1964) that the energy deficiency for photodissociation of NO2 excited at wavelengths greater than 397.9 nm is due to the rotational and vibrational energy of the NO2 molecules is confirmed by the data. Values for the primary quantum yields of NO2 photodecomposition as a function of wavelength are presented.

UV absorption in metal decorated boron nitride flakes: a theoretical analysis of excited states

NASA Astrophysics Data System (ADS)

Chopra, Siddheshwar; Plasser, Felix

2017-10-01

The excited states of single metal atom (X = Co, Al and Cu) doped boron nitride flake (MBNF) B15N14H14-X and pristine boron nitride (B15N15H14) are studied by time-dependent density functional theory. The immediate effect of metal doping is a red shift of the onset of absorption from about 220 nm for pristine BNF to above 300 nm for all metal-doped variants with the biggest effect for MBNF-Co, which shows appreciable intensity even above 400 nm. These energy shifts are analysed by detailed wavefunction analysis protocols using visualisation methods, such as the natural transition orbital analysis and electron-hole correlation plots, as well as quantitative analysis of the exciton size and electron-hole populations. The analysis shows that the Co and Cu atoms provide strong contributions to the relevant states whereas the aluminium atom is only involved to a lesser extent.

Subband Quantum Scattering Times for Algaas/GaAs Obtained Using Digital Filtering

NASA Technical Reports Server (NTRS)

Mena, R. A.; Schacham, S. E.; Haughland, E. J.; Alterovitz, S. A.; Bibyk, S. B.; Ringel, S. A.

1995-01-01

In this study we investigate both the transport and quantum scattering times as a function of the carrier concentration for a modulation doped Al(0.3)Ga(0.7)As/GaAs structure. Carriers in the well are generated as a result of the persistent photoconductivity effect. When more than one subband becomes populated, digital filtering is used to separate the components for each of the excited subbands. We find that the quantum scattering time for the ground subband increases initially as the carrier concentration is increased. However, once the second subband becomes populated, the ground subband scattering time begins to decrease. The quantum scattering time for the excited subband is also observed to decrease as the concentration is increased. From the ratio of the transport and quantum scattering times, it is seen that the transport in the well becomes more isotropic also as the concentration is increased.

Magnetic Control of MOF Crystal Orientation and Alignment.

PubMed

Cheng, Fei; Marshall, Ellis S; Young, Adam J; Robinson, Peter J; Bouillard, Jean-Sebastien G; Adawi, Ali M; Vermeulen, Nicolaas A; Farha, Omar K; Reithofer, Michael R; Chin, Jia Min

2017-11-07

Most metal-organic frameworks (MOFs) possess anisotropic properties, the full exploitation of which necessitates a general strategy for the controllable orientation of such MOF crystals. Current methods largely rely upon layer-by-layer MOF epitaxy or tuning of MOF crystal growth on appropriate substrates, yielding MOFs with fixed crystal orientations. Here, the dynamic magnetic alignment of different MOF crystals (NH 2 -MIL-53(Al) and NU-1000) is shown. The MOFs were magnetized by electrostatic adsorption of iron oxide nanoparticles, dispersed in curable polymer resins (Formlabs 1+ clear resin/ Sylgard 184), magnetically oriented, and fixed by resin curing. The importance of crystal orientation on MOF functionality was demonstrated whereby magnetically aligned NU-1000/Sylgard 184 composite was excited with linearly polarized 405 nm light, affording an anisotropic fluorescence response dependent on the polarization angle of the excitation beam relative to NU-1000 crystal orientation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Population of Projection Neurons that Inhibits the Lateral Horn but Excites the Antennal Lobe through Chemical Synapses in Drosophila

PubMed Central

Shimizu, Kazumichi; Stopfer, Mark

2017-01-01

In the insect olfactory system, odor information is transferred from the antennal lobe (AL) to higher brain areas by projection neurons (PNs) in multiple AL tracts (ALTs). In several species, one of the ALTs, the mediolateral ALT (mlALT), contains some GABAergic PNs; in the Drosophila brain, the great majority of ventral PNs (vPNs) are GABAergic and project through this tract to the lateral horn (LH). Most excitatory PNs (ePNs), project through the medial ALT (mALT) to the mushroom body (MB) and the LH. Recent studies have shown that GABAergic vPNs play inhibitory roles at their axon terminals in the LH. However, little is known about the properties and functions of vPNs at their dendritic branches in the AL. Here, we used optogenetic and patch clamp techniques to investigate the functional roles of vPNs in the AL. Surprisingly, our results show that specific activation of vPNs reliably elicits strong excitatory postsynaptic potentials (EPSPs) in ePNs. Moreover, the connections between vPNs and ePNs are mediated by direct chemical synapses. Neither pulses of GABA, nor pharmagological, or genetic blockade of GABAergic transmission gave results consistent with the involvement of GABA in vPN-ePN excitatory transmission. These unexpected results suggest new roles for the vPN population in olfactory information processing. PMID:28515683

A Population of Projection Neurons that Inhibits the Lateral Horn but Excites the Antennal Lobe through Chemical Synapses in Drosophila.

PubMed

Shimizu, Kazumichi; Stopfer, Mark

2017-01-01

In the insect olfactory system, odor information is transferred from the antennal lobe (AL) to higher brain areas by projection neurons (PNs) in multiple AL tracts (ALTs). In several species, one of the ALTs, the mediolateral ALT (mlALT), contains some GABAergic PNs; in the Drosophila brain, the great majority of ventral PNs (vPNs) are GABAergic and project through this tract to the lateral horn (LH). Most excitatory PNs (ePNs), project through the medial ALT (mALT) to the mushroom body (MB) and the LH. Recent studies have shown that GABAergic vPNs play inhibitory roles at their axon terminals in the LH. However, little is known about the properties and functions of vPNs at their dendritic branches in the AL. Here, we used optogenetic and patch clamp techniques to investigate the functional roles of vPNs in the AL. Surprisingly, our results show that specific activation of vPNs reliably elicits strong excitatory postsynaptic potentials (EPSPs) in ePNs. Moreover, the connections between vPNs and ePNs are mediated by direct chemical synapses. Neither pulses of GABA, nor pharmagological, or genetic blockade of GABAergic transmission gave results consistent with the involvement of GABA in vPN-ePN excitatory transmission. These unexpected results suggest new roles for the vPN population in olfactory information processing.

A moment-tensor catalog for intermediate magnitude earthquakes in Mexico

NASA Astrophysics Data System (ADS)

Rodríguez Cardozo, Félix; Hjörleifsdóttir, Vala; Martínez-Peláez, Liliana; Franco, Sara; Iglesias Mendoza, Arturo

2016-04-01

Located among five tectonic plates, Mexico is one of the world's most seismically active regions. The earthquake focal mechanisms provide important information on the active tectonics. A widespread technique for estimating the earthquake magnitud and focal mechanism is the inversion for the moment tensor, obtained by minimizing a misfit function that estimates the difference between synthetic and observed seismograms. An important element in the estimation of the moment tensor is an appropriate velocity model, which allows for the calculation of accurate Green's Functions so that the differences between observed and synthetics seismograms are due to the source of the earthquake rather than the velocity model. However, calculating accurate synthetic seismograms gets progressively more difficult as the magnitude of the earthquakes decreases. Large earthquakes (M>5.0) excite waves of longer periods that interact weakly with lateral heterogeneities in the crust. For these events, using 1D velocity models to compute Greens functions works well and they are well characterized by seismic moment tensors reported in global catalogs (eg. USGS fast moment tensor solutions and GCMT). The opposite occurs for small and intermediate sized events, where the relatively shorter periods excited interact strongly with lateral heterogeneities in the crust and upper mantle. To accurately model the Green's functions for the smaller events in a large heterogeneous area, requires 3D or regionalized 1D models. To obtain a rapid estimate of earthquake magnitude, the National Seismological Survey in Mexico (Servicio Sismológico Nacional, SSN) automatically calculates seismic moment tensors for events in the Mexican Territory (Franco et al., 2002; Nolasco-Carteño, 2006). However, for intermediate-magnitude and small earthquakes the signal-to-noise ratio could is low for many of the seismic stations, and without careful selection and filtering of the data, obtaining a stable focal mechanism is difficult. The selection of data windows and filter parameters is tedious without a tool that allows easy viewing of the data prior to the inversion. Therefore, we developed a graphical user interface (GUI), based on Python and the python library ObsPy, that processes in a iterative and interactive way observed and synthetic seismograms prior to the inversion. The processing includes filtering, choosing and discarding traces and manual adjustment of time windows in which synthetics and observed seismograms will be compared. We calculate the Green Functions using the SPECFEM3D_GLOBE algorithm (Komatitsch et al.,2004) which employs a velocity model that is composed of a mantle and a crustal model, S362ANI (Kustowski et al., 2008) and CRUST2.0 (Bassin et al., 2000), respectively. We invert the observed seismograms for the seismic moment tensor using a method developed for earthquakes in California (Liu et al., 2004) and implemented for earthquakes in Mexico (De la Vega, 2014). In this work, we introduce the GUI, the inversion method and the results from the moment-tensor inversions obtained for intermediate-magnitude earthquakes (4.5

Strong electroluminescence from SiO{sub 2}-Tb{sub 2}O{sub 3}-Al{sub 2}O{sub 3} mixed layers fabricated by atomic layer deposition

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

Rebohle, L., E-mail: l.rebohle@hzdr.de; Braun, M.; Wutzler, R.

2014-06-23

We report on the bright green electroluminescence (EL) with power efficiencies up to 0.15% of SiO{sub 2}-Tb{sub 2}O{sub 3}-mixed layers fabricated by atomic layer deposition and partly co-doped with Al{sub 2}O{sub 3}. The electrical, EL, and breakdown behavior is investigated as a function of the Tb and the Al concentration. Special attention has been paid to the beneficial role of Al{sub 2}O{sub 3} co-doping which improves important device parameters. In detail, it increases the maximum EL power efficiency and EL decay time, it nearly doubles the fraction of excitable Tb{sup 3+} ions, it shifts the region of high EL powermore » efficiencies to higher injection currents, and it reduces the EL quenching over the device lifetime by an approximate factor of two. It is assumed that the presence of Al{sub 2}O{sub 3} interferes the formation of Tb clusters and related defects. Therefore, the system SiO{sub 2}-Tb{sub 2}O{sub 3}-Al{sub 2}O{sub 3} represents a promising alternative for integrated, Si-based light emitters.« less

Photoluminescence of Er-doped silicon-rich oxide thin films with high Al concentrations

NASA Astrophysics Data System (ADS)

Rozo, Carlos; Fonseca, Luis F.; Jaque, Daniel; García Solé, José

Er-doped silicon-rich oxide (SRO) thin films co-doped with Al in high concentrations were prepared by sputtering. Some films were deposited using a substrate heater (150 °C

Molecular Diagnostics of the Internal Motions of Massive Cores

NASA Astrophysics Data System (ADS)

Pineda, Jorge; Velusamy, T.; Goldsmith, P.; Li, D.; Peng, R.; Langer, W.

2009-12-01

We present models of the internal kinematics of massive cores in the Orion molecular cloud. We use a sample of cores studied by Velusamy et al. (2008) that show red, blue, and no asymmetry in their HCO+ line profiles in equal proportion, and which therefore may represent a sample of cores in different kinematic states. We use the radiative transfer code RATRAN (Hogerheijde & van der Tak 2000) to model several transitions of HCO+ and H13CO+ as well as the dust continuum emission, of a spherical model cloud with radial density, temperature, and velocity gradients. We find that an excitation and velocity gradients are prerequisites to reproduce the observed line profiles. We use the dust continuum emission to constrain the density and temperature gradients. This allows us to narrow down the functional forms of the velocity gradient giving us the opportunity to test several theoretical predictions of velocity gradients produced by the effect of magnetic fields (e.g. Tassis et. al. 2007) and turbulence (e.g. Vasquez-Semanedi et al 2007).

Excited Negative Ions and Molecules and Negative Ion Production

DTIC Science & Technology

1992-01-01

theoretically to have negative electron affinities, analogous to the rare gases. Then, Froese Fischer et al.I found theoretically that Ca- exists...AD-A247 017 Final Report - January 1992 EXCITED NEGATIVE IONS AND MOLECULES AND NEGATIVE ION PRODUCTION OTIC James R. Peterson, Senior Staff...Vice President 92-05594Physical Sciences Division1111111111II fuii 1111 ii 92 3 ’ Final Report . January 1992 EXCITED NEGATIVE IONS AND MOLECULES AND

Photoionization Models of the H_2 Emission of the Narrow Line Region of AGNs

NASA Astrophysics Data System (ADS)

Aleman, I.; Gruenwald, R.

2011-05-01

The excitation mechanism of the narrow line region (NLR) of AGNs is still an open question. Excitation by UV radiation from O and B stars, x-rays from the central black hole, shock from supernovae or jets, or a combination of these mechanisms have been suggested. In the present work, we use photoionization models to study the excitation mechanisms of the H_2 infrared emission lines in the NLR. In the literature, analyzes of the H_2 emission have been done assuming that the molecules is present only in neutral regions (photodissociation regions, x-ray-dominated regions, or shocks; Veilleux et al. 1997, Krabbe et al. 2000, Rigopoulou et al. 2002, Rodriguez-Ardila et al. 2004, 2005, and Davies et al. 2005). However, they are not conclusive. In previous work (Aleman & Gruenwald 2004, 2011), we show that the H_2 emission from the ionized region of PNe can be significant for planetary nebulae (PNe) with hot central stars (T⋆ > 150000 K). Such stars produce copious amounts of high energy photons, which create an extended partially ionized region that favors the H_2 survival. The conditions in the NLR are similar to those in PNe with hot central stars, so we can expect that the H_2 emission might also be important. We obtain and analyze a grid of photoionization models for different NRL parameters. We study the resulting H_2 density and emission, as well as, the formation, destruction, excitation, and de-excitation mechanisms. The higher values observed for the H_2 1-0 S(1)/Brγ ratio cannot be reproduced by our models. The calculated ratios are between 10^-8 and 10^-1, while the observational ration can be as high as 10. The calculated ratio is strongly anti-correlated with the ionization parameter (U) and only models with U<10-3 result in ratios inside the observational range. We show that the NLR is an environment more hostile to the H_2 molecule than the ionized region of PNe. Another interesting result of our calculations is that the H_2 formation on grain surfaces is more important in the NLR than in the ionized region of PNe.

Comment on "Parametric Instability Induced by X-Mode Wave Heating at EISCAT" by Wang et al. (2016)

NASA Astrophysics Data System (ADS)

Blagoveshchenskaya, N. F.; Borisova, T. D.; Yeoman, T. K.

2017-12-01

In their recent article Wang et al. (2016) analyzed observations from EISCAT (European Incoherent Scatter) Scientific Association Russian X-mode heating experiments and claimed to explain the potential mechanisms for the parametric decay instability (PDI) and oscillating two-stream instability (OTSI). Wang et al. (2016) claim that they cannot separate the HF-enhanced plasma and ion lines excited by O or X mode in the EISCAT UHF radar spectra. Because of this they distinguished the parametric instability excited by O-/X-mode heating waves according to their different excitation heights. Their reflection heights were determined from ionosonde records, which provide a rough measure of excitation altitudes and cannot be used for the separation of the O- and X-mode effects. The serious limitation in their analysis is the use of a 30 s integration time of the UHF radar data. There are also serious disagreements between their analysis and the real observational facts. The fact is that it is the radical difference in the behavior of the X- and O-mode plasma and ion line spectra derived with a 5 s resolution, which provides the correct separation of the X- and O-mode effects. It is not discussed and explained how the parallel component of the electric field under X-mode heating is generated. Apart from the leakage to the O mode, results by Wang et al. (2016) do not explain the potential mechanisms for PDI and OTSI and add nothing to understanding the physical factors accounting for the parametric instability generated by an X-mode HF pump wave.

Effects of Gd/Lu ratio on the luminescence properties and garnet phase stability of Ce3+ activated GdxLu3-xAl5O12 single crystals

NASA Astrophysics Data System (ADS)

Bartosiewicz, K.; Babin, V.; Kamada, K.; Yoshikawa, A.; Beitlerova, A.; Nikl, M.

2018-06-01

The luminescence properties of Ce3+ activated (Gd,Lu)3Al5O12 single crystals are investigated as a function of the Gd/Lu ratio with the aim of an improved understanding of the luminescence quenching, energy transfer processes, and garnet phase stability. Upon heavy substitution of Lu with Gd, the target garnet phase becomes thermodynamically unstable and unwanted secondary phase inclusions arise. The secondary phase shows luminescence properties in the UV spectral range. The thermal quenching process of the 5d→4f emission of Ce3+ in the garnet phase is determined by the temperature dependence of the photoluminescence decay time and delayed radiative recombination decays. The results show that the onset of the thermal quenching is moved to lower temperatures with increasing the Gd3+ content. The main mechanism responsible for the luminescence quenching is due to the non-radiative relaxation from 5d1 excited state to 4f ground state of Ce3+. The energy transfer processes between Gd3+ and Ce3+ as well as between secondary and garnet phase are evidenced by the photoluminescence excitation and emission spectra as well as decay kinetic measurements.

Condensed Matter Theories - Volume 22

NASA Astrophysics Data System (ADS)

Reinholz, Heidi; Röpke, Gerd; de Llano, Manuel

2007-09-01

pt. A. Fermi liquids. Pressure comparison between the spherical cellular model and the Thomas-Fermi model / G.A. Baker, Jr. Pair excitations and vertex corrections in Fermi fluids and the dynamic structure function of two-dimension 3He / H.M. Böhm, H. Godfrin, E. Krotscheck, H.J. Lauter, M. Meschke and M. Panholzer. Condensation of helium in wedges / E.S. Hernádez ... [et al.]. Non-Fermi liquid behavior from the Fermi-liquid approach / V.A. Khodel ... [et al.]. Theory of third sound and stability of thin 3He-4He superfluid films / E. Krotscheck and M.D. Miller. Pairing in asymmetrical Fermi systems / K.F. Quader and R. Liao. Ground-state properties of small 3He drops from quantum Monte Carlo simulations / E. Sola, J. Casulleras and J. Boronat. Ground-state energy and compressibility of a disordered two-dimensional electron gas / Tanatar ... [et al.]. Quasiexcitons in photoluminescence of incompressible quantum liquids / A. Wójs, A.G ladysiewicz and J.J. Quinn -- pt. B. Bose liquids. Quantum Boltzmann liquids / K.A. Gernoth, M L. Ristig and T. Lindenau. Condensate fraction in the dynamic structure function of Bose fluids / M. Saarela, F. Mazzanti and V. Apaja -- pt. C. Strongly-correlated electronic systems. Electron gas in high-field nanoscopic transport: metallic carbon nanotubes / F. Green and D. Neilson. Evolution and destruction of the Kondo effect in a capacitively coupled double dot system / D.E. Logan and M.R. Galpin. The method of increments-a wavefunction-based Ab-Initio correlation method for solids / B. Paulus. Fractionally charged excitations on frustrated lattices / E. Runge, F. Pollmann and P. Fulde. 5f Electrons in actinides: dual nature and photoemission spectra / G. Zwicknagl -- pt. D. Magnetism. Magnetism in disordered two-dimensional Kondo-Necklace / W. Brenig. On the de Haas-can Alphen oscillation in 2D / S. Fujita and D.L. Morabito. Dynamics in one-dimensional spin systems-density matrix reformalization group study / S. Nishimoto and M. Arikawa. Frustrated quantum antiferromagnets: application of high-order coupled cluster method / J. Richter ... [et al.]. Vorticity and antivorticity in submicron ferromagnetic films / H. Wang, M. Yan and C.E. Campbell -- pt. E. Conductivity. D-wave checkerboard bose condensate of mobile bipolarons / A.S. Alexandrov. Five possible reasons why high-Tc superconductivity is stalled / M. Grether and M. de Llano. Multistability and Multi 2[Pie symbol]-Kinks in the Frenkel-Kontorova model: an application to arrays of Josephson junctions / K.E. Kürten and C. Krattenthaler. Lowering of Boson-Fermion system energy with a gapped cooper resonant-pair dispersion relation / T.A. Mamedov and M. de Llano. The concept of correlated density and its application / K. Morawetz ... [et al.]. Competing local and non-local phase correlations in Fermionic systems with resonant pairing: the Boson-Fermion scenario / J. Ranninger. Superconducting order parameters in the extended Hubbard model: a simple mean-field study / J.S. Thakur and M.P. Das -- pt. F. Nuclear systems. Distribution of maxima of the antisymmetized wave function for the nucleons of a closed-shell and for the nucleons of all closed-shells in a nucleus / G.S. Anagnostatos. Pairing of strongly correlated nucleons / W.H. Dickhoff. Short range correlations in relativistic nuclear models / P.K. Panda, C. Providência and J. da Providência. Quartetting in attractive Fermi-systems and alpha particle condensation in nuclear systems / P. Schuck ... [et al.]. Alpha-alpha and Alpha-nucleus potentials: an energy-density fucntional approach / Z.F. Shehadeh ... [et al.]. -- pt. G. Density functional theory and MD simulations. Dynamics of metal clusters in rare gas clusters / M. Baer ... [et al.]. Reinhard and E. Suraud. Kohn-Sham calculations combined with an average pair-density functional theory / P. Gori-Giorgi and A. Savin. Correlations, collision frequency and optical properties in laser excited clusters / H. Reinholz, T. Raitza and G. Röpke -- pt. H. Biophysics. Condensed matter physics of biomolecule systems in a differential geometric framework / H. Bohr, J.I. Ipsen and S. Markvorsen. The brain's view of the natural world in motion: computing structure from function using directional Fourier transformations / B.K. Dellen, J.W. Clark and R. Wessel -- pt. I. Quantum information. Control and error prevention in condensed matter quantum computing devices / M.S. Byrd and L.A. Wu. Maxent approaches to qubits / C.M. Sarris, A.N. Proto and F B. Malik -- pt. J. New formalisms. Thermal coherent states, a broader class of mixed coherent states, and generalized thermo-field dynamics / R.F. Bishop and A. Vourdas. Ergodic condition and magnetic models / M. Howard Lee. From thermodynamics to Maxent / A. Plastino and E. M.F. Curado. Recent progress in the density-matrix renormalization group / U. Schollwöck.

An open-source framework for analyzing N-electron dynamics. II. Hybrid density functional theory/configuration interaction methodology.

PubMed

Hermann, Gunter; Pohl, Vincent; Tremblay, Jean Christophe

2017-10-30

In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet is written as a linear combination of N-electron wave functions at the configuration interaction singles (CIS) level, which are obtained from a reference time-dependent density functional theory (TDDFT) calculation. The procedure is implemented in the open-source Python program detCI@ORBKIT, which extends the capabilities of our recently published post-processing toolbox (Hermann et al., J. Comput. Chem. 2016, 37, 1511). From the output of standard quantum chemistry packages using atom-centered Gaussian-type basis functions, the framework exploits the multideterminental structure of the hybrid TDDFT/CIS wave packet to compute fundamental one-electron quantities such as difference electronic densities, transient electronic flux densities, and transition dipole moments. The hybrid scheme is benchmarked against wave function data for the laser-driven state selective excitation in LiH. It is shown that all features of the electron dynamics are in good quantitative agreement with the higher-level method provided a judicious choice of functional is made. Broadband excitation of a medium-sized organic chromophore further demonstrates the scalability of the method. In addition, the time-dependent flux densities unravel the mechanistic details of the simulated charge migration process at a glance. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Excitation energies of molecules within time-independent density functional theory

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

Hemanadhan, M., E-mail: hemanadh@iitk.ac.in; Harbola, Manoj K., E-mail: hemanadh@iitk.ac.in

2014-04-24

Recently proposed exchange energy functional for excited-states is tested for obtaining excitation energies of diatomic molecules. The functional is the ground-state counterpart of the local-density approximation, the modified local spin density (MLSD). The MLSD functional is tested for the N{sub 2} and CO diatomic molecules. The excitation energy obtained with the MLSD functional for the N{sub 2} molecule is in close vicinity to that obtained from the exact exchange orbital functional, Krieger, Li and Iafrate (KLI). For the CO molecule, the departure in excitation energy is observed and is due to the overcorrection of self-interaction.

Excitation energies of molecules within time-independent density functional theory

NASA Astrophysics Data System (ADS)

Hemanadhan, M.; Harbola, Manoj K.

2014-04-01

Recently proposed exchange energy functional for excited-states is tested for obtaining excitation energies of diatomic molecules. The functional is the ground-state counterpart of the local-density approximation, the modified local spin density (MLSD). The MLSD functional is tested for the N2 and CO diatomic molecules. The excitation energy obtained with the MLSD functional for the N2 molecule is in close vicinity to that obtained from the exact exchange orbital functional, Krieger, Li and Iafrate (KLI). For the CO molecule, the departure in excitation energy is observed and is due to the overcorrection of self-interaction.

Resonant Two-Magnon Raman Scattering in Cuprate Antiferromagnetic Insulators and Superconductors.

NASA Astrophysics Data System (ADS)

Blumberg, G.; Abbamonte, P.; Klein, M. V.

1996-03-01

We present results of low-temperature two-magnon resonance Raman excitation profile measurements for single layer Sr_2CuO_2Cl2 and bilayer YBa_2Cu_3O6 + δ antiferromagnets over the excitation region from 1.65 to 3.05 eV. These data reveal composite structure of the B_1g two-magnon line shape peaked at ~ 2.7J and ~ 4J and strong nonmonotonic dependence of the scattering intensity on excitation energy. Resonant magnetic scattering contributes also to A_1g and B_2g channels. We analyze these data using the triple resonance theory of Chubukov and Frenkel(A. Chubukov and D. Frenkel, Phys. Rev. Lett.74), 3057 (1995). and deduce information about magnetic interaction (J and J_⊥) and band parameters (NN hopping t and charge transfer gap 2Δ) in these antiferromagnets.(G. Blumberg et. al.), Preprint cond-mat/9511080. The ~ 3J spin superexchange excitation persists upon hole doping and is present in superconductors, proving the universality of the short wavelength magnetic excitations in the cuprate superconducting metals and the parent antiferromagnetic insulators.(G. Blumberg et. al.), Phys. Rev. B 49, 13 295 (1994).

Low Z total reflection X-ray fluorescence analysis — challenges and answers

NASA Astrophysics Data System (ADS)

Streli, C.; Kregsamer, P.; Wobrauschek, P.; Gatterbauer, H.; Pianetta, P.; Pahlke, S.; Fabry, L.; Palmetshofer, L.; Schmeling, M.

1999-10-01

Low Z elements, like C, O, ... Al are difficult to measure, due to the lack of suitable low-energy photons for efficient excitation using standard X-ray tubes, as well as difficult to detect with an energy dispersive detector, if the entrance window is not thin enough. Special excitation sources and special energy dispersive detectors are required to increase the sensitivity and to increase the detected fluorescence signal and so to improve the detection limits. Synchrotron radiation, due to its features like high intensity and wide spectral range covering also the low-energy region, is the ideal source for TXRF, especially of low-Z elements. Experiments at a specific beamline (BL 3-4) at SSRL, Stanford, designed for the exclusive use of low-energy photons has been used as an excitation source. Detection limits <100 fg for Al, Mg and Na have been achieved using quasimonochromatic radiation of 1.7 keV. A Ge(HP) detector with an ultra-thin NORWAR entrance window is used. One application is the determination of low-Z surface contamination on Si-wafers. Sodium, as well as Al, are elements of interest for the semiconductor industry, both influencing the yield of ICs negatively. A detection capacity of 10 10 atoms/cm 2 is required which can be reached using synchrotron radiation as excitation source. Another promising application is the determination of low-Z atoms implanted in Si wafers. Sodium, Mg and Al were implanted in Si-wafers at various depths. From measuring the dependence of the fluorescence signal on the glancing angle, characteristic shapes corresponding to the depth profile and the relevant implantation depth are found. Calculations are compared with measurements. Finally, aerosols sampled on polycarbonate plates in a Battelle impactor were analyzed with LZ-TXRF using multilayer monochromatized Cr-Kα radiation from a 1300-W fine-focus tube for excitation. Results are presented.

Fabrication of DC inorganic electroluminescent thin-film devices with novel n-p-n type structure

NASA Astrophysics Data System (ADS)

Ishimura, Takuyoshi; Matsumoto, Hironaga

2014-04-01

Inorganic electroluminescent (iEL) thin films are used in light-emitting devices and are functional under alternating current conditions only. Stable luminescent light has yet to be obtained under direct current conditions. We postulated that thin-film iEL light emission occurs when an injected electron occupies the excited state of a luminescent center and then recombines radiatively. From this perspective, we fabricated a novel stacked n-p-n type thin-film iEL device composed of indium tin oxide (ITO)-ZnO-CuAlO2-ZnS-ZnS:TbF3-Al thin films and obtained stable luminescence using a low-voltage DC power supply. The overall luminescent color of the device depended on only the dopant in the luminescent layer, not the band gap or thin-film material.

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

Optical Properties of Heterostructures and Superlattices.

DTIC Science & Technology

1985-05-01

High intensity studies, from 104 to 106 W/cm2 were performed using near or on resonant excitation techniques, i.e., the excitation energy hv was... rhb mediat for the subsequent LO phonon emisasion decay. The free ecuitons; in Al. Gal - As, evidently decay via the The exact detailed mechaniu of

LANTHANIDE ENHANCE LUMINESCENCE (LEL) WITH ONE AND TWO PHOTON EXCITATION OF QUANTUM DYES LANTHANIDE (III) - MACROCYCLES

EPA Science Inventory

Title: Lanthanide Enhance Luminescence (LEL) with one and two photon excitation of Quantum Dyes? Lanthanide(III)-Macrocycles
Principal Author:
Robert C. Leif, Newport Instruments
Secondary Authors:
Margie C. Becker, Phoenix Flow Systems
Al Bromm, Virginia Commonw...

Ab initio study of the electron energy loss function in a graphene-sapphire-graphene composite system

NASA Astrophysics Data System (ADS)

Despoja, Vito; Djordjević, Tijana; Karbunar, Lazar; Radović, Ivan; Mišković, Zoran L.

2017-08-01

The propagator of a dynamically screened Coulomb interaction W in a sandwichlike structure consisting of two graphene layers separated by a slab of Al2O3 (or vacuum) is derived from single-layer graphene response functions and by using a local dielectric function for the bulk Al2O3 . The response function of graphene is obtained using two approaches within the random phase approximation (RPA): an ab initio method that includes all electronic bands in graphene and a computationally less demanding method based on the massless Dirac fermion (MDF) approximation for the low-energy excitations of electrons in the π bands. The propagator W is used to derive an expression for the effective dielectric function of our sandwich structure, which is relevant for the reflection electron energy loss spectroscopy of its surface. Focusing on the range of frequencies from THz to mid-infrared, special attention is paid to finding an accurate optical limit in the ab initio method, where the response function is expressed in terms of a frequency-dependent conductivity of graphene. It was shown that the optical limit suffices for describing hybridization between the Dirac plasmons in graphene layers and the Fuchs-Kliewer phonons in both surfaces of the Al2O3 slab, and that the spectra obtained from both the ab initio method and the MDF approximation in the optical limit agree perfectly well for wave numbers up to about 0.1 nm-1. Going beyond the optical limit, the agreement between the full ab initio method and the MDF approximation was found to extend to wave numbers up to about 0.3 nm-1 for doped graphene layers with the Fermi energy of 0.2 eV.

On the mechanism of chromophototherapy used in sports medicine and rehabilitation

NASA Astrophysics Data System (ADS)

Tang, Mian; Liu, Timon C.

2005-01-01

Light is the primary stimulus for regulating circadian rhythms, seasonal cycles, and neuroendocrine responses in many species, including humans. The major circadian pacemaker in the hypothalamic suprachiasmatic nucleus is entrained to the light/dark cycles from the outside world by circadian photoreceptors which are functionally characterized by the direct sensitivity to light with broad spectrum and the relatively high stability. Chromophototherapy mediated by the color indirect effect (CIE), the physiological and psychological effects of color resulting from color vision, is functionally characterized by the sensitivity to light with narrow spectrum and the relatively low stability. In this paper, the mechanism of chromophototherapy used in sports medicine and rehabilitation, especially in treating overtraining syndrome (OTS), was discussed. Although several hypotheses and the corresponding OTS treatments have been proposed, each only explains and treats a selective aspect of OTS. On the one hand, an autonomic or neuroendocrine imbalance is hypothesized as underlying by Lehmann et al so that the described functional alterations of pituitary-adrenal axis and sympathetic system can explain persistent performance incompetence in affected athletes beside additional mechanisms. On the other hand, cold color (green, blue or violet) excites parasympathetic subsystem and hot color (red, orange or yellow) excites sympathetic subsystem for chromophototherapy. The conclusion was then drawn that chromophototherapy might be a good therapy to treat OTS.

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

Pathak, A. A., E-mail: anuapathak@yahoo.com; Yadav, P. J.; Talewar, R. A.

Blue-emitting phosphor LaMgAl{sub 11}O{sub 19}:Eu{sup 2+} has been synthesized successfully at 500 °C by one step combustion synthesis method. The as-synthesized materials were characterized by powder x-ray diffraction (XRD) and photoluminescence (PL) techniques. Upon 365 nm excitation, emission spectra of the LaMgAl{sub 11}O{sub 19}:Eu{sup 2+} phosphors show a blue band at 450 nm. The excitation spectra corresponding to 4f{sup 7}-4f{sup 6}5d transition of Eu{sup 2+} cover the spectral range of 280–430 nm. The concentration quenching of Eu{sup 2+} in the LaMgAl{sub 11}O{sub 19} host was determined to be 3 mol%. The CIE chromaticity of LAM: Eu{sup 2+} phosphors was compared with the commercial BAM.

Slc10A4 - what do we know about the function of this "secret ligand carrier" protein?

PubMed

Borges, Karin

2013-10-01

This commentary discusses the possible functions of a relatively newly described solute carrier protein, Slc10a4, in regards to a recent article by Zelano et al. (2013) published in the January issue of Experimental Neurology, 239, 73-81. Slc10a4 belongs to the sodium-bile acid cotransporter family (Slc10), but does not show plasma membrane transport activity of bile acids and related molecules. It is co-localized with synaptic vesicle transporters for acetylcholine and dopamine. In Slc10a4 lacking mice, Zelano et al. found increased excitability in hippocampal slices and in vivo responses to pilocarpine, but not kainate. These findings are critically examined here. This author speculates on the possible function of Slc10a4, but remains partial about "specific effects of Slc10a4 in cholinergic systems". It is hoped that approaches targeting human SLC10A4 can be discovered for potential clinical use in neurological disorders, such as Alzheimer's and Parkinson's disease, schizophrenia and addiction. Conversely, some side effects are expected due to peripheral Slc10a4 localization in sympathetic and parasympathetic nerves, as well as mast cells. © 2013.

Electron Excitation of High Dipole Moment Molecules

NASA Astrophysics Data System (ADS)

Goldsmith, Paul; Kauffmann, Jens

2018-01-01

Emission from high-dipole moment molecules such as HCN allows determination of the density in molecular clouds, and is often considered to trace the “dense” gas available for star formation. We assess the importance of electron excitation in various environments. The ratio of the rate coefficients for electrons and H2 molecules, ~10^5 for HCN, yields the requirements for electron excitation to be of practical importance if n(H2) < 10^{5.5} /cm3 and X(e-) > 10^{-5}, where the numerical factors reflect critical values n_c(H2) and X^*(e-). This indicates that in regions where a large fraction of carbon is ionized, X(e-) will be large enough to make electron excitation significant. The situation is in general similar for other “high density tracers”, including HCO+, CN, and CS. But there are significant differences in the critical electron fractional abundance, X^*(e-), defined by the value required for equal effect from collisions with H2 and e-. Electron excitation is, for example, unimportant for CO and C+. Electron excitation may be responsible for the surprisingly large spatial extent of the emission from dense gas tracers in some molecular clouds (Pety et al. 2017, Kauffmann, Goldsmith et al. 2017, A&A, submitted). The enhanced estimates for HCN abundances and HCN/CO and HCN/HCO+ ratios observed in the nuclear regions of luminous galaxies may be in part a result of electron excitation of high dipole moment tracers. The importance of electron excitation will depend on detailed models of the chemistry, which may well be non-steady state and non--static.

Advances in the application of MRI to amyotrophic lateral sclerosis

PubMed Central

Turner, Martin R; Modo, Michel

2011-01-01

Importance of the field With the emergence of therapeutic candidates for the incurable and rapidly progressive neurodegenerative condition of amyotrophic lateral sclerosis (ALS), it will be essential to develop easily obtainable biomarkers for diagnosis, as well as monitoring, in a disease where clinical examination remains the predominant diagnostic tool. Magnetic resonance imaging (MRI) has greatly developed over the past thirty years since its initial introduction to neuroscience. With multi-modal applications, MRI is now offering exciting opportunities to develop practical biomarkers in ALS. Areas covered in this review The historical application of MRI to the field of ALS, its state-of-the-art and future aspirations will be reviewed. Specifically, the significance and limitations of structural MRI to detect gross morphological tissue changes in relation to clinical presentation will be discussed. The more recent application of diffusion tensor imaging (DTI), magnetic resonance spectroscopy (MRS), functional and resting-state MRI (fMRI & R-fMRI) will be contrasted in relation to these more conventional MRI assessments. Finally, future aspirations will be sketched out in providing a more disease mechanism-based molecular MRI. What the reader will gain This review will equip the reader with an overview of the application of MRI to ALS and illustrate its potential to develop biomarkers. This discussion is exemplified by key studies, demonstrating the strengths and limitations of each modality. The reader will gain an expert opinion on both the current and future developments of MR imaging in ALS. Take home message MR imaging generates potential diagnostic, prognostic and therapeutic monitoring biomarkers of ALS. The emerging fusion of structural, functional and potentially molecular imaging will improve our understanding of wider cerebral connectivity and holds the promise of biomarkers sensitive to the earliest changes. PMID:21516259

Fiber optic immunosensor for cross-linked fibrin concentration

NASA Astrophysics Data System (ADS)

Moskowitz, Samuel E.

2000-08-01

Working with calcium ions in the blood, platelets produce thromboplastin which transforms prothrombin into thrombin. Removing peptides, thrombin changes fibrinogen into fibrin. Cross-linked insoluble fibrin polymers are solubilized by enzyme plasmin found in blood plasma. Resulting D-dimers are elevated in patients with intravascular coagulation, deep venous thrombosis, pulmonary embolism, myocardial infarction, multiple trauma, cancer, impaired renal and liver functions, and sepsis. Consisting principally of a NIR 780 nm GaAlAs laser diode and a 800 nm avalanche photodiode (APD), the fiber-optic immunosensor can determined D-dimer concentration to levels <0.1 ng/ml. A capture monoclonal antibody to the antigen soluble cross-linked fibrin is employed. Immobilized at the tip of an optical fiber by avidin-biotin, the captured antigen is detected by a second antibody which is labeled with NN 382 fluorescent dye. An evanescent wave traveling on an excitation optical fiber excites the antibody-antigen fluorophore complex. Concentration of cross-linked fibrin is directly proportional to the APD measured intensity of fluorescence. NIR fluorescence has advantages of low background interference, short fluorescence lifetime, and large difference between excitation and emission peaks. Competitive ELISA test for D-dimer concentration requires trained personnel performing a time consuming operation.

Luminescence in Sr2MgAl22O36:Eu2+ phosphor

NASA Astrophysics Data System (ADS)

Tawalare, P. K.; Bhatkar, V. B.; Talewar, R. A.; Joshi, C. P.; Moharil, S. V.

2018-05-01

New results on luminescence of Eu2+ are reported in Sr2MgAl22O36 host prepared by combustion synthesis. Different emission and excitation spectra are observed for Eu2+ ions occupying two crystallographically non-equivalent sites.

Molecular excited states from the SCAN functional

NASA Astrophysics Data System (ADS)

Tozer, David J.; Peach, Michael J. G.

2018-06-01

The performance of the strongly constrained and appropriately normed (SCAN) meta-generalised gradient approximation exchange-correlation functional is investigated for the calculation of time-dependent density-functional theory molecular excitation energies of local, charge-transfer and Rydberg character, together with the excited ? potential energy curve in H2. The SCAN results frequently resemble those obtained using a global hybrid functional, with either a standard or increased fraction of exact orbital exchange. For local excitations, SCAN can exhibit significant triplet instability problems, resulting in imaginary triplet excitation energies for a number of cases. The Tamm-Dancoff approximation offers a simple approach to improve the situation, but the excitation energies are still significantly underestimated. Understanding the origin of these (near)-triplet instabilities may provide useful insight into future functional development.

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

PubMed

Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

2015-08-11

The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

The manifestation of vibrational excitation effect in reactions C + SH(v = 0-20, j = 0) \\rightarrow H + CS, S + CH

NASA Astrophysics Data System (ADS)

Zhang, Lulu; Gao, Shoubao; Song, Yuzhi; Meng, Qingtian

2018-03-01

The dependence of the cross section for the C + SH \\to H + CS, S + CH reactions on the vibrational excitation of SH(v = 0-20, j = 0) is analyzed in detail at the collision energies of 0.3 and 0.8 eV by using the quasi-classical trajectory method and the new potential energy surface (Song et al 2016 Sci. Rep. 6 37734) of the {{HCS}}({{X}}{}2{{A}}\\prime ). The efficiency of vibrational excitation to promote the reaction is investigated through the analysis of the cross section and its v dependence in terms of the reaction probability, maximum impact parameter, and the features of the potential energy surface. The differential cross sections obtained show that at higher vibrational levels, the products (CS, CH) are mainly forward scattered, and the sideward and backward scatterings are quite weak. In addition to the scalar properties, the stereodynamical attributes, such as angle distribution functions P(θ r ), P(ϕ r ) and P(θ r , ϕ r ) at different vibrational levels are explored in detail. Furthermore, through the investigation of the state-to-state dynamics for the titled reaction, it is clear that the vibrational excitation of the product for C + SH \\to H + CS reaction is quite strong, with the most probable population appearing at high vibration numbers.

Spectroscopic imaging of self-organization in high power impulse magnetron sputtering plasmas

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

Andersson, Joakim; Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, 117543 Singapore; Ni, Pavel

Excitation and ionization conditions in traveling ionization zones of high power impulse magnetron sputtering plasmas were investigated using fast camera imaging through interference filters. The images, taken in end-on and side-on views using light of selected gas and target atom and ion spectral lines, suggest that ionization zones are regions of enhanced densities of electrons, and excited atoms and ions. Excited atoms and ions of the target material (Al) are strongly concentrated near the target surface. Images from the highest excitation energies exhibit the most localized regions, suggesting localized Ohmic heating consistent with double layer formation.

Spectroscopic imaging of self-organization in high power impulse magnetron sputtering plasmas

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

Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, 117543 Singapore, Singapore; Andersson, Joakim; Ni, Pavel

Excitation and ionization conditions in traveling ionization zones of high power impulse magnetron sputtering plasmas were investigated using fast camera imaging through interference filters. The images, taken in end-on and side on views using light of selected gas and target atom and ion spectral lines, suggest that ionization zones are regions of enhanced densities of electrons, and excited atoms and ions. Excited atoms and ions of the target material (Al) are strongly concentrated near the target surface. Images from the highest excitation energies exhibit the most localized regions, suggesting localized Ohmic heating consistent with double layer formation.

Excited State Studies of Polyacenes Using the All-Order Constricted Variational Density Functional Theory with Orbital Relaxation.

PubMed

Senn, Florian; Krykunov, Mykhaylo

2015-10-22

For the polyacenes series from naphthalene to hexacene, we present the vertical singlet excitation energies 1 (1)La and 1 (1)Lb, as well as the first triplet excitation energies obtained by the all-order constricted variational density functional theory with orbital relaxation (R-CV(∞)-DFT). R-CV(∞)-DFT is a further development of variational density functional theory (CV(∞)-DFT), which has already been successfully applied for the calculation of the vertical singlet excitation energies (1)La and (1)Lb for polyacenes,15 and we show that one obtains consistent excitation energies using the local density approximation as a functional for singlet as well as for triplet excitations when going beyond the linear response theory. Furthermore, we apply self-consistent field density functional theory (ΔSCF-DFT) and compare the obtained excitation energies for the first triplet excitations T1, where, due to the character of the transition, ΔSCF-DFT and R-CV(∞)-DFT become numerically equivalent, and for the singlet excitations 1 (1)La and 1 (1)Lb, where the two methods differ.

Magnetic Flux Concentrations in Stratified Turbulent Plasma Due to Negative Effective Magnetic Pressure Instability

NASA Astrophysics Data System (ADS)

Jabbari, S.; Brandenburg, A.

2014-12-01

Recent studies have suggested a new mechanism that can be used to explain the formation of magnetic spots or bipolar regions in highly stratified turbulent plasmas. According to this model, a large-scale magnetic field suppresses the turbulent pressure, which leads to a negative contribution of turbulence to the effective magnetic pressure. Direct numerical simulations (DNS) have confirmed that the negative contribution is large enough so that the effective magnetic pressure becomes negative and leads to a large-scale instability, which we refer to as negative effective magnetic pressure Instability (NEMPI). NEMPI was used to explain the formation of active regions and sunspots on the solar surface. One step toward improving this model was to combine dynamo in- stability with NEMPI. The dynamo is known to be responsible for the solar large-scale magnetic field and to play a role in solar activity. In this context, we studied stratified turbulent plasmas in spherical geometry, where the background field was generated by alpha squared dynamo. For NEMPI to be excited, the initial magnetic field should be in a proper range, so we used quenching function for alpha. Using the Pencil Code and mean field simulations (MFS), we showed that in the presence of dynamo-generated magnetic fields, we deal with a coupled system, where both instabilities, dynamo and NEMPI, work together and lead to the formation of magnetic structures (Jabbari et al. 2013). We also studied a similar system in plane geometry in the presence of rotation and confirmed that for slow rotation NEMPI works, but as the Coriolis number increases, the rotation suppresses NEMPI. By increasing the Coriolis number even further, the combination of fast rotation and high stratification excites a dynamo, which leads again to a coupled system of dynamo and NEMPI (Jabbari et al. 2014). Another important finding concerning NEMPI is the case where the instability is excited by a vertical magnetic field (Brandenburg et al. 2013). When the field is vertical, the resulting magnetic flux concentrations lead to the magnetic spots and can be of equipartition field strength. DNS, MFS, and implicit large eddy simulations (ILES) confirm that in a proper parameter regime, vertical imposed fields lead to the formation of circular magnetic spots (Brandenburg et al. 2014).

Electron impact excitation coefficients for laboratory and astrophysical plasmas

NASA Technical Reports Server (NTRS)

Davis, J.; Kepple, P. C.; Blaha, M.

1976-01-01

Electron impact excitation rate coefficients have been obtained for a number of transitions in highly ionized ions of interest to astrophysical and laboratory plasmas. The calculations were done using the method of distorted waves. Results are presented for various transitions in highly ionized Ne, Na, Al, Si, A, Ca, Ni and Fe.

Wavelet based comparison of high frequency oscillations in the geodetic and fluid excitation functions of polar motion

NASA Astrophysics Data System (ADS)

Kosek, W.; Popinski, W.; Niedzielski, T.

2011-10-01

It has been already shown that short period oscillations in polar motion, with periods less than 100 days, are very chaotic and are responsible for increase in short-term prediction errors of pole coordinates data. The wavelet technique enables to compare the geodetic and fluid excitation functions in the high frequency band in many different ways, e.g. by looking at the semblance function. The waveletbased semblance filtering enables determination the common signal in both geodetic and fluid excitation time series. In this paper the considered fluid excitation functions consist of the atmospheric, oceanic and land hydrology excitation functions from ECMWF atmospheric data produced by IERS Associated Product Centre Deutsches GeoForschungsZentrum, Potsdam. The geodetic excitation functions have been computed from the combined IERS pole coordinates data.

Comparison of regional hydrological excitation of polar motion derived from hydrological models and the GRACE gravity field data

NASA Astrophysics Data System (ADS)

Nastula, J.; Kolaczek, B.; Salstein, D. A.

2009-09-01

Global geophysical excitation functions of polar motion do not explain fully the observed polar motion as determined by geodetic techniques. The impact of continental hydrologic signals, from land water, snow, and ice, on polar motion excitation HAM (Hydrological Angular Momentum), is still inadequately estimated and not known so well as atmospheric and oceanic ones. Recently the GRACE (Gravity Recovery and Climate Experiment) satellite mission monitoring Earth's time variable gravity field has allowed us to determine global mass term of the polar motion excitation functions, which inherently includes the atmospheric, oceanic and hydrological portions. We use these terms to make comparisons with the mass term of the geodetic and geophysical excitation functions of polar motion on seasonal scales. Global GRACE excitation function of polar motion and hydrological excitation function of polar motion have been determined and were studied earlier

SrAl2O4:Eu2+ (1%) luminescence under UV, VUV and electron beam excitation

NASA Astrophysics Data System (ADS)

Nazarov, M.; Mammadova, S.; Spassky, D.; Vielhauer, S.; Abdullayeva, S.; Huseynov, A.; Jabbarov, R.

2018-01-01

This paper reports the luminescence properties of nanosized SrAl2O4:Eu2+ (1%) phosphors. The samples were prepared by combustion method at 600 °C, followed by annealing of the resultant combustion ash at 1000 °C in a reductive (Ar + H2) atmosphere. X-ray diffraction (XRD), photo luminescence (PL) and cathodoluminescence (CL) analysis and thermal stimulated luminescence (TSL) method were applied to characterize the phosphor. For the first time a peak at 375 nm was observed in CL spectra of SrAl2O4:Eu2+ (1%) nanophosphors. Luminescence excitation spectra analysis have shown that this peak is related to crystal defects. Also in TSL curve one strong peak was observed in the region above room temperature (T = 325 K), which is attributed to lattice defects, namely oxygen vacancies. A green LED was fabricated by the combination of the SrAl2O4:Eu2+ (1%) nanosized phosphor and a 365 nm UV InGaN chip.

Probing collective oscillation of d-orbital electrons at the nanoscale

NASA Astrophysics Data System (ADS)

Dhall, Rohan; Vigil-Fowler, Derek; Houston Dycus, J.; Kirste, Ronny; Mita, Seiji; Sitar, Zlatko; Collazo, Ramon; LeBeau, James M.

2018-02-01

Here, we demonstrate that high energy electrons can be used to explore the collective oscillation of s, p, and d orbital electrons at the nanometer length scale. Using epitaxial AlGaN/AlN quantum wells as a test system, we observe the emergence of additional features in the loss spectrum with the increasing Ga content. A comparison of the observed spectra with ab-initio theory reveals that the origin of these spectral features lies in excitations of 3d-electrons contributed by Ga. We find that these modes differ in energy from the valence electron plasmons in Al1-xGaxN due to the different polarizabilities of the d electrons. Finally, we study the dependence of observed spectral features on the Ga content, lending insights into the origin of these spectral features, and their coupling with electron-hole excitations.

Standoff analysis of laser-produced plasmas using laser-induced fluorescence

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

Harilal, S. S.; Brumfield, B. E.; Phillips, M. C.

We report the use of laser-induced fluorescence (LIF) of laser ablation plumes for standoff applications. The standoff analysis of Al species, as major and minor species in samples, is performed in a nanosecond laser-produced plasma created at a distance ~10 m. The LIF analysis is performed by resonantly exciting an Al transition at 394.4 nm using a continuous wave (cw) tunable laser and by collecting the direct-line fluorescence signal at 396.15 nm. The spectral resolution of LIF is obtained by scanning the cw tunable LIF laser across the selected Al transition. Our results highlight that LIF provides enhanced signal intensity,more » emission persistence, and spectral resolution when compared to thermally-excited emission, and these are crucial considerations for using laser-produced plasma for standoff isotopic analysis.« less

Al-Air Batteries: Fundamental Thermodynamic Limitations from First Principles Theory

NASA Astrophysics Data System (ADS)

Chen, Leanne D.; Noerskov, Jens K.; Luntz, Alan C.

2015-03-01

The Al-air battery possesses high theoretical specific energy (4140 Wh/kg) and is therefore an attractive candidate for vehicle propulsion applications. However, the experimentally observed open-circuit potential is much lower than what thermodynamics predicts, and this potential loss is widely believed to be an effect of corrosion. We present a detailed study of the Al-air battery using density functional theory. The results suggest that the difference between bulk thermodynamic and surface potentials is due to both the effects of asymmetry in multi-electron transfer reactions that define the anodic dissolution of Al and, more importantly, a large chemical step inherent to the formation of bulk Al(OH)3 from surface intermediates. The former results in an energy loss of 3%, while the latter accounts for 14 -29% of the total thermodynamic energy depending on the surface site where dissolution occurs. Therefore, the maximum open-circuit potential of the Al anode is only -1.87 V vs. SHE in the absence of thermal excitations, contrary to -2.34 V predicted by bulk thermodynamics at pH 14.6. This is a fundamental limitation of the system and governs the maximum output potential, which cannot be improved even if corrosion effects were completely suppressed. Supported by the Natural Sciences and Engineering Research Council of Canada and the ReLiable Project (#11-116792) funded by the Danish Council for Strategic Research.

Production of Mg and Al Auger electrons by noble gas ion bombardment of Mg and Al surfaces

NASA Technical Reports Server (NTRS)

Ferrante, J.; Pepper, S. V.

1976-01-01

Relative production efficiencies of Mg and Al Auger electrons by He, Ne, Ar, Kr, and Xe ion bombardment are reported as a function of ion energy for energies not exceeding 3 keV. The experimental apparatus employed consisted of a LEED-Auger system equipped with an ion gun and a four-grid retarding-potential analyzer. It is found that: (1) the shape of the ion-excited Auger signal was independent of the rare gas and quite symmetric; (2) the Al signal was about an order of magnitude smaller than the Mg signal for a given bombarding species and ion-gun voltage; (3) no signal was observed for He(+) bombardment under any of the experimental conditions; (4) signal strengths were independent of temperature and ion dose; (5) the Auger production efficiencies differed by no more than a factor of two among the different gases - except for He(+) - on a given metal; (6) all the signal strengths increased with increasing ion-gun voltage, with no maximum exhibited; and (7) the apparent threshold energy for the Al signal was higher than that for the Mg signal. The differences between the results for the two metals are attributed to the fact that the Al 2p orbital lies deeper in energy and closer to the nucleus than the corresponding Mg orbital.

Nuclear Data Sheets for A=36

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

Nica N.; Nica,N.; Cameron,J.

2012-01-01

Nuclear spectroscopic information for experimentally investigated nuclides of mass 36 (Mg, Al, Si, P, S, Cl, Ar, K, Ca) has been evaluated. The principal sources of the 'adopted levels' presented for nuclides close to the stability line are Endt's evaluations (1990En08, 1978En02). The data sets for reactions and decays, including all available gamma-ray data, are based mostly on the original literature. The {sup 36}Na has been looked for but not yet experimentally detected. There are no data available for the excited states in {sup 36}Al, and for {sup 36}Mg and {sup 36}Ca, only one excited state is known.

Technical Testing of Deep-UV Solid-State Sources for Fluorescence Lifetime Measurements in the Frequency Domain

DTIC Science & Technology

2007-02-01

fluxes at wavelengths short enough for excitation of fluorescence in basic biological fluorophores and bacterial agents. In particular, deep- UV LEDs ...can be used for excitation of aromatic amino acids, whereas near- UV LEDs are suitable for excitation of autofluorescent coenzymes. The SUVOS AlGaN... LEDs as well as commercial InGaN near- UV LEDs were tested for spectral purity and the possibility of high-frequency modulation up to 200 MHz and

Measurements of ultrafast spin-profiles and spin-diffusion properties in the domain wall area at a metal/ferromagnetic film interface.

PubMed

Sant, T; Ksenzov, D; Capotondi, F; Pedersoli, E; Manfredda, M; Kiskinova, M; Zabel, H; Kläui, M; Lüning, J; Pietsch, U; Gutt, C

2017-11-08

Exciting a ferromagnetic material with an ultrashort IR laser pulse is known to induce spin dynamics by heating the spin system and by ultrafast spin diffusion processes. Here, we report on measurements of spin-profiles and spin diffusion properties in the vicinity of domain walls in the interface region between a metallic Al layer and a ferromagnetic Co/Pd thin film upon IR excitation. We followed the ultrafast temporal evolution by means of an ultrafast resonant magnetic scattering experiment in surface scattering geometry, which enables us to exploit the evolution of the domain network within a 1/e distance of 3 nm to 5 nm from the Al/FM film interface. We observe a magnetization-reversal close to the domain wall boundaries that becomes more pronounced closer to the Al/FM film interface. This magnetization-reversal is driven by the different transport properties of majority and minority carriers through a magnetically disordered domain network. Its finite lateral extension has allowed us to measure the ultrafast spin-diffusion coefficients and ultrafast spin velocities for majority and minority carriers upon IR excitation.

Luminescence properties and scintillation response in Ce3+-doped Y2Gd1Al5-xGaxO12 (x = 2, 3, 4) single crystals

NASA Astrophysics Data System (ADS)

Chewpraditkul, Warut; Pánek, Dalibor; Brůža, Petr; Chewpraditkul, Weerapong; Wanarak, Chalerm; Pattanaboonmee, Nakarin; Babin, Vladimir; Bartosiewicz, Karol; Kamada, Kei; Yoshikawa, Akira; Nikl, Martin

2014-08-01

The compositional dependence of luminescence properties and scintillation response were investigated in Ce3+-doped Y2Gd1Al5-xGaxO12 (x = 2, 3, 4) single crystals. The Gd3+ → Ce3+ energy transfer was evidenced by photoluminescence excitation spectra of Ce3+ emission. With increasing Ga content in the garnet host, the Ce3+ luminescence from the lowest 5d level (5d1) is shifted toward higher energy due to the decrease in the crystal field splitting of the 5d levels. Light yield (LY) and its dependence on the amplifier shaping time were measured under excitation with γ-rays. High LY value of ˜38 000 ph/MeV was obtained for a Y2Gd1Al3Ga2O12:Ce sample. Scintillation decay was measured with an extended dynamical and temporal scale under the nanosecond pulse soft X-ray excitation. The decrease of both LY value and relative contribution of slower decay component in the scintillation response was observed with increasing Ga content in the garnet host.

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

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.

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.

Electronic and structural response of nanomaterials to ultrafast and ultraintense laser pulses.

PubMed

Jiang, Chen-Wei; Zhou, Xiang; Lin, Zhibin; Xie, Rui-Hua; Li, Fu-Li; Allen, Roland E

2014-02-01

The interaction of materials with ultrafast and ultraintense laser pulses is a current frontier of science both experimentally and theoretically. In this review, we briefly discuss some recent theoretical studies by the present authors with our method of semiclassical electron-radiation-ion dynamics (SERID). In particular, Zhou et al. and Jiang et al. respectively, determined the optimal duration and optimal timing for a series of femtosecond scale laser pulses to excite a specific vibrational mode in a general chemical system. A set of such modes can be used as a "fingerprint" for characterizing a particular molecule or a complex in a solid. One can therefore envision many applications, ranging from fundamental studies to detection of chemical or biological agents. Allen et al. proved that dimers are preferentially emitted during photofragmentation of C60 under an ultrafast and ultraintense laser pulse. For interactions between laser pulses and semiconductors, e.g., GaAs, Si and InSb, besides experimentally accessible optical properties--epsilon(omega) and chi(2)-Allen et al. offered many other indicators to confirm the nonthermal nature of structural changes driven by electronic excitations and occurring during the first few hundred femtoseconds. Lin et al. found that, after the application of a femtosecond laser pulse, excited electrons in materials automatically equilibrate to a Fermi-Dirac distribution within roughly 100 fs, solely because of their coupling to the nuclear motion, even though the resulting electronic temperature is one to two orders of magnitude higher than the kinetic temperature defined by the nuclear motion.

Temperature dependent mechanical property of PZT film: an investigation by nanoindentation.

PubMed

Li, Yingwei; Feng, Shangming; Wu, Wenping; Li, Faxin

2015-01-01

Load-depth curves of an unpoled Lead Zirconate Titanate (PZT) film composite as a function of temperature were measured by nanoindentation technique. Its reduce modulus and hardness were calculated by the typical Oliver-Pharr method. Then the true modulus and hardness of the PZT film were assessed by decoupling the influence of substrate using methods proposed by Zhou et al. and Korsunsky et al., respectively. Results show that the indentation depth and modulus increase, but the hardness decreases at elevated temperature. The increasing of indentation depth and the decreasing of hardness are thought to be caused by the decreasing of the critical stress needed to excite dislocation initiation at high temperature. The increasing of true modulus is attributed to the reducing of recoverable indentation depth induced by back-switched domains. The influence of residual stress on the indentation behavior of PZT film composite was also investigated by measuring its load-depth curves with pre-load strains.

Excitonic spectra and energy band structure of ZnAl2Se4 crystals

NASA Astrophysics Data System (ADS)

Syrbu, N. N.; Zalamai, V. V.; Tiron, A. V.; Tiginyanu, I. M.

2015-11-01

Absorption, reflection and wavelength modulated reflection spectra were investigated in ZnAl2Se4 crystals. The energy positions of ground and excited states for three excitonic series (А, В and С) were determined. The main parameters of excitons and more precise values of energy intervals V1(Γ7)-C1(Γ6), V2(Γ6)-C1(Γ6), and V3(Γ7)-C1(Γ6) were estimated. Values of splitting due to crystal field and spin-orbital interaction were calculated. Effective masses of electrons (mC1∗) and holes (mV1∗, mV2∗, mV3∗) were estimated. Reflection spectra contours in excitonic region were calculated using dispersion equations. Optical functions for E > Eg from measured reflection spectra were assigned on the base of Kramers-Kronig relations.

A novel yellow-emitting SrAlSi4N7:Ce3+ phosphor for solid state lighting: Synthesis, electronic structure and photoluminescence properties

NASA Astrophysics Data System (ADS)

Ruan, Jian; Xie, Rong-Jun; Funahashi, Shiro; Tanaka, Yoshinori; Takeda, Takashi; Suehiro, Takayuki; Hirosaki, Naoto; Li, Yuan-Qiang

2013-12-01

Ce3+-doped and Ce3+/Li+-codoped SrAlSi4N7 phosphors were synthesized by gas pressure sintering of powder mixtures of Sr3N2, AlN, α-Si3N4, CeN and Li3N. The phase purity, electronic crystal structure, photoluminescence properties of SrAlSi4N7:Ce3+(Ce3+/Li+) were investigated in this work. The band structure calculated by the DMol3 code shows that SrAlSi4N7 has a direct band gap of 3.87 eV. The single crystal analysis of Ce3+-doped SrAlSi4N7 indicates a disordered Si/Al distribution and nitrogen vacnacy defects. SrAlSi4N7 was identified as a major phase of the fired powders, and Sr5Al5Si21N35O2 and AlN as minor phases. Both Ce3+ and Ce3+/Li+ doped SrAlSi4N7 phosphors can be efficiently excited by near-UV or blue light and show a broadband yellow emission peaking around 565 nm. A highest external quantum efficiency of 38.3% under the 450 nm excitation was observed for the Ce3+/Li+-doped SrAlSi4N7 (5 mol%). A white light LED lamp with color temperature of 6300 K and color rendering index of Ra=78 was achieved by combining Sr0.97Al1.03Si3.997N\\94\\maccounttest14=t0005_18193 7:Ce3+0.03 with a commercial blue InGaN chip. It indicates that SrAlSi4N7:Ce3+ is a promising yellow emitting down-conversion phosphor for white LEDs.

Controlling the excitation process of free electrons by a femtosecond elliptically polarized laser

NASA Astrophysics Data System (ADS)

Gao, Lili; Wang, Feng; Jiang, Lan; Qu, Liangti; Lu, Yongfeng

2015-11-01

This paper is focused on the excitation rates of free electrons of an aluminum (Al) bulk irradiated by an elliptically polarized laser in simulation, using time-dependent density functional theory (TDDFT). The polarized 400 nm, 10 fs laser pulse consisted of two elementary sinusoidal beams, and is adjusted by changing the phase difference φ and the intersection angle θ of the polarization directions between the two beams. The simulation includes cases of φ = π/2 with θ = 30°, θ = 45°, θ = 60°, θ = 90°, θ = 120°, θ = 135°, θ = 150°, and cases of θ = 90° with φ = π/4, φ = π/3, φ = π/2, φ = 2π/3, φ = 3π/4. The absorbed energy, the excitation rates and the density distributions of free electrons after laser termination are investigated. At the given power intensity (1×1014Wcm-2), pulse width (10 fs) and wavelength (400 nm) of each elementary laser beam, computational results indicate that the excitation rate of free electrons is impacted by three major factors: the long axis direction of the laser projected profile, the amplitude difference of the first main oscillation (1st AD), and the total amplitude difference of main oscillations (TAD) of the external electric field. Among the aforementioned three factors for the excitation rate of free electrons, the direction of long axis plays the most significant role. The screen effect is crucial to compare the importance of the remaining two factors. The analysis approach to investigate the electron dynamics under an elliptically polarized laser is both pioneering and effective.

Gravity Waves in the Atmospheres of Mars and Venus

NASA Astrophysics Data System (ADS)

Tellmann, Silvia; Paetzold, Martin; Häusler, Bernd; Bird, Michael K.; Tyler, G. Leonard; Hinson, David P.; Imamura, Takeshi

2016-10-01

Gravity waves are ubiquitous in all stably stratified planetary atmospheres and play a major role in the redistribution of energy and momentum. Gravity waves can be excited by many different mechanisms, e.g. by airflow over orographic obstacles or by convection in an adjacent layer.Gravity waves on Mars were observed in the lower atmosphere [1,2] but are also expected to play a major role in the cooling of the thermosphere [3] and the polar warming [4]. They might be excited by convection in the daytime boundary layer or by strong winter jets in combination with the pronounced topographic diversity on Mars.On Venus, gravity waves play an important role in the mesosphere above the cloud layer [5] and probably below. Convection in the cloud layer is one of the most important source mechanisms but certain correlations with topography were observed by different experiments [6,7,8].Temperature height profiles from the radio science experiments on Mars Express (MaRS) [9] and Venus Express (VeRa) [10] have the exceptionally high vertical resolution necessary to study small-scale vertical gravity waves, their global distribution, and possible source mechanisms.Atmospheric instabilities, which are clearly identified in the data, can be investigated to gain further insight into possible atmospheric processes contributing to the excitation of gravity waves.[1] Creasey, J. E., et al.,(2006), Geophys. Res. Lett., 33, L01803, doi:10.1029/2005GL024037.[2]Tellmann, S., et al.(2013), J. Geophys. Res. Planets, 118, 306-320, doi:10.1002/jgre.20058.[3]Medvedev, A. S., et al.(2015), J. Geophys. Res. Planets, 120, 913-927. doi:10.1002/2015JE004802.[4] Barnes, J. R. (1990), J. Geophys. Res., 95, B2, 1401-1421.[5] Tellmann, S., et al. (2012), Icarus, 221, 471 - 480.[6] Blamont, J.E. et al., (1986) 231, 1422-1425.[7] Bertaux J.-L., et al. (2016), J. Geophys. Res., Planets, in press.[8] Piccialli, A., et al. (2014), Icarus, 227, 94 - 111.[9] Pätzold, M., et al. (2016), Planet. Space Sci., 127, 44 - 90.[10] Häusler, B. et al., (2006). 1315-1335.

Cross Sections of P-Induced Reactions up to 100 MeV for the Interpretation of Solar Cosmic Ray Produced Nuclides

NASA Astrophysics Data System (ADS)

Schiekel, T.; Rosel, R.; Herpers, U.; Bodemann, R.; Michel, R.; Dittrich, B.; Hofmann, H. J.; Suter, M.; Wolfli, W.; Holmqvist, B.; Conde, H.; Malmborg, P.

1992-07-01

Integral excitation functions for the production of residual nuclides by proton-induced reactions are the basic data for an accurate modelling of the interactions of solar cosmic ray (SCR) particles with extraterrestrial matter. Due to the relatively low energies (<200 MeV/A) of SCR particles the production of nuclear active secondary particles can be widely neglected and theoretical production rate depth profiles can be calculated by simply folding the depth dependent SCR spectra with thin target cross sections of the underlying nuclear reactions. The accuracy of such calculations exclusively depends on the quality of the available cross sections. For many nuclides, in particular for long-lived radionuclides and stable rare gas isotopes, the exis- ting cross section database is neither comprehensive nor reliable. Therefore, we started a series of experiments to improve this situation. Eighteen elements (C, N as Si3N4, O as SiO2, Mg, Al, Si, Ti, V, Mn as Mn/Ni-alloy, Fe, Co, Ni, Cu, Zr, Nb, Rh, Ba as Ba-contai- ning glass, and Au) were irradiated with 94 and 99 MeV protons at the external beam of the TSL-cyclotron at Uppsala. Cross sections were determined using the stacked foil technique. Beam monitoring was done by investigating the production of ^22Na from Al, for which evaluated cross sections exist. Residual nuclides were measured by X-, gamma- and accelerator-mass spectrometry. In order to check the quality of our experimental procedure some target elements (22 <= Z <= 28) were included in the new exper- iments, which had been formerly irradiated at Julich, at Louvain La Neuve, and at IPN Orsay. Comparisons between the earlier measurements (1,2) and the new cross sections showed excellent agreement. Up to now, cross sections were measured for more than 120 different reactions. Here, we report on the results obtained for the target elements C, N, O, Mg, Al, and Si. The status of experimental excitation functions for the production of some radionuclides relevant for SCR interactions with terrestrial and extraterrestrial matter, i.e., ^7Be and ^10Be from C, N, O, Mg, Al, and Si and ^22Na and ^26Al from Mg, Al, and Si, is discussed in detail. In order to investigate whether theoretical calculations can be used to supply the necessary cross sections for SCR model calcu- lations, a theoretical analysis of the experimental data is given on the basis of model calculations of equilibrium and pre-equilibrium reactions for light target elements. The new data are applied to model calculations of the production of SCR-produced nuclides in lunar surface materials and in meteorites. Acknowledgement: This work was supported by the Deutsche Forschungsgemeinschaft and by the Swiss National Science Foundation. References: (1) Michel et al. (1984) J. Geophys Res. 89, B673- B684. (2) Michel R. et al. (1985) Nucl. Phys. A441, 617-639.

Electron Impact Studies Relevant to Rosetta Coma Measurements of 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Bodewits, D.; Feldman, P. D.; Matejčík, Š.; Országh, J.; Durian, M.

2017-12-01

Auroral emission from electron impact processes can provide a remote window on the physical properties of plasma and neutral gases surrounding small bodies (Galand & Chakrabarti, 2002; Roth et al. 2014). Surprisingly, Rosetta found that outside 2 AU pre-perihelion, atomic and molecular emission features in the inner coma were predominantly caused by dissociative electron impact excitation (Feldman et al. 2015). When the comet came within 2 au of the Sun, fluorescent emission became the dominant process, as water densities in the inner coma could effectively cool the electron population below the appearance energy of the relevant electron impact dissociative excitation processes (Bodewits et al. 2016). Further quantitative interpretation of the Alice and OSIRIS images of the coma is by limited excitation cross sections measured of electron impact reactions with the gases present in cometary comae, including H2O, CO2, CO, O2, and HCN. We will present the first results of a series of experiments dedicated to investigate the emission features seen by the instruments on board Rosetta. The experimental set up is located at the Comenius University in Bratislava, Slovakia, and consists of a crossed-beam configuration combining an electron monochromator and a gas beam (Danko et al. 2013). The electron induced emission spectra are measured using a Czerny-Turner optical monochromator provides a spectral resolution of 0.3 nm FWHM and is equipped with a photomultiplier sensitive between 185 and 710 nm. References: Bodewits, D. et al. The Astronomical Journal 152, 130 (2016). Danko, M. et al. J. Phys. B 46, 045203 (2013). Feldman, P. D. et al. Astron. Astroph. 583, A8 (2015). Galand, M. & Chakrabarti, S. Geophysical Monograph 130. Ed. Michael Mendillo 130, 55- (2002). Roth, L., Saur, J., Retherford, K. D., Strobel, D. F. & Feldman, P. D. Science (2014). doi:10.1126/science.1247051

Fluorescence excitation and excited state intramolecular relaxation dynamics of jet-cooled methyl-2-hydroxy-3-naphthoate

NASA Astrophysics Data System (ADS)

McCarthy, Annemarie; Ruth, Albert A.

2013-11-01

Two distinct S0 → S1 fluorescence excitation spectra of methyl-2-hydroxy-3-napthoate (MHN23) have been obtained by monitoring fluorescence separately in the short (˜410 nm) and long (˜650 nm) wavelength emission bands. The short wavelength fluorescence is assigned to two MHN23 conformers which do not undergo excited state intramolecular proton transfer (ESIPT). Analysis of the 'long wavelength' fluorescence excitation spectrum, which arises from the proton transfer tautomer of MHN23 indicates an average lifetime of τ ⩾ 18 ± 2 fs for the initially excited states. Invoking the results of Catalan et al. [J. Phys. Chem. A, 1999, 103, 10921], who determined the N tautomer to decay predominantly via a fast non-radiative process, the limit of the rate of intramolecular excited proton transfer in MHN23 is calculated as, kpt ⩽ 1 × 1012 s-1.

Correlating Metastable-Atom Density, Reduced Electric Field, and Electron Energy Distribution in the Initiation, Transient, and Post-Transient Stages of a Pulsed Argon Discharge

NASA Astrophysics Data System (ADS)

Franek, James B.

Argon emission lines, particularly those in the near-infrared region (700-900nm), are used to determine plasma properties in low-temperature, partially ionized plasmas to determine effective electron temperature [Boffard et al., 2012], and argon excited state density [Boffard et al., 2009] using appropriately assumed electron energy distributions. While the effect of radiation trapping influences the interpretation of plasma properties from emission-line ratio analysis, eliminating the need to account for these effects by directly observing the 3px-to-1sy transitions [ Boffard et al., 2012] is preferable in most cases as this simplifies the analysis. In this dissertation, a 1-Torr argon, pulsed positive column in a hollow-cathode discharge is used to study the correlation between four quantities: 420.1-419.8nm emission-line ratio, metastable-atom density, reduced electric field, and electron energy distribution. The extended coronal model is used to acquire an expression for 420.1-419.8nm emission-line ratio, which is sensitive to direct electron-impact excitation of argon excited states as well as stepwise electron-impact excitation of argon excited states for the purpose of inferring plasma quantities from experimental measurements. Initial inspection of the 420.1-419.8nm emission-line ratio suggests the pulse may be empirically divided into three distinct stages labelled the Initiation Stage, Transient Stage, and Post-Transient stage. Using equilibrium electron energy distributions from simulation to deduce excitation rates [Adams et al., 2012] in the extended coronal model affords agreement between predicted and observed metastable density in the Post-Transient stage of the discharge [Franek et al., 2015]. Applying this model-assisted diagnostic technique to the characterization of plasma systems utilizing lower-resolution spectroscopic systems is not straightforward, however, as the 419.8nm and 420.1nm emission-line profiles are convolved and become insufficiently resolved for treating the convolution as two separate emission-lines. To remedy this, the argon 425.9nm emission-line is evaluated as a proxy for the 419.8 nm emission-line. Both emission-lines (419.8nm and 425.9nm) are attributed to direct excitation from the argon ground state. The intensity of the 425.9nm emission-line is compared to the intensity of the 419.8nm emission-line over a range of plasma conditions to infer the same plasma quantities from similar experimental measurements. Discrepancies between the observed intensities of the emission-lines (419.8nm, 425.9nm) are explained by electron-impact cross-sections of their parent states. It is shown that the intensity of the argon 425.9nm emission-line is similar to that of the 419.8nm emission-line. The difference between the observed emission lines (425.9nm, 419.8nm) is attributed to the electron energy distribution in the plasma.

Interface inequivalence of the InP/InAlAs/InP staggered double heterostructure grown by metalorganic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Böhrer, J.; Krost, A.; Heitz, R.; Heinrichsdorff, F.; Eckey, L.; Bimberg, D.; Cerva, H.

1996-02-01

The optical and structural properties of the normal InAlAs on InP and the inverted InP on the InAlAs staggered band lineup interface grown by metalorganic chemical vapor deposition (MOCVD) are compared by use of transmission electron microscopy (TEM), time integrated, and time resolved photoluminescence. TEM images show that both interfaces are dissimilar. The normal interface is very abrupt. The inverted interface shows an additional graded layer of about 2.5 nm in width of In1-xAlxAsyP1-y with x (0.48-0) and y (1.0-0.0). A large optical anisotropy exists because of the inequivalence of the two interfaces. The larger spatial separation of the carriers at the inverted interface is responsible for a smaller overlap of the electron and hole wave functions and for that reason a one order of magnitude longer e-h luminescence decay time of 45 ns is observed. The normal interface transition shifts approximately to the third root of excitation while the inverted interface transition shifts logarithmically.

State-of-the-art ab initio potential energy curve for the krypton atom pair and thermophysical properties of dilute krypton gas

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

Jäger, Benjamin, E-mail: benjamin.jaeger@uni-rostock.de; Hellmann, Robert, E-mail: robert.hellmann@uni-rostock.de; Bich, Eckard

2016-03-21

A new reference krypton-krypton interatomic potential energy curve was developed by means of quantum-chemical ab initio calculations for 36 interatomic separations. Highly accurate values for the interaction energies at the complete basis set limit were obtained using the coupled-cluster method with single, double, and perturbative triple excitations as well as t-aug-cc-pV5Z and t-aug-cc-pV6Z basis sets including mid-bond functions, with the 6Z basis set being newly constructed for this study. Higher orders of coupled-cluster terms were considered in a successive scheme up to full quadruple excitations. Core-core and core-valence correlation effects were included. Furthermore, relativistic effects were studied not only atmore » a scalar relativistic level using second-order direct perturbation theory, but also utilizing full four-component and Gaunt-effect computations. An analytical pair potential function was fitted to the interaction energies, which is characterized by a depth of 200.88 K with an estimated standard uncertainty of 0.51 K. Thermophysical properties of low-density krypton were calculated for temperatures up to 5000 K. Second and third virial coefficients were obtained from statistical thermodynamics. Viscosity and thermal conductivity as well as the self-diffusion coefficient were computed using the kinetic theory of gases. The theoretical results are compared with experimental data and with results for other pair potential functions from the literature, especially with those calculated from the recently developed ab initio potential of Waldrop et al. [J. Chem. Phys. 142, 204307 (2015)]. Highly accurate experimental viscosity data indicate that both the present ab initio pair potential and the one of Waldrop et al. can be regarded as reference potentials, even though the quantum-chemical methods and basis sets differ. However, the uncertainties of the present potential and of the derived properties are estimated to be considerably lower.« less

State-of-the-art ab initio potential energy curve for the krypton atom pair and thermophysical properties of dilute krypton gas.

PubMed

Jäger, Benjamin; Hellmann, Robert; Bich, Eckard; Vogel, Eckhard

2016-03-21

A new reference krypton-krypton interatomic potential energy curve was developed by means of quantum-chemical ab initio calculations for 36 interatomic separations. Highly accurate values for the interaction energies at the complete basis set limit were obtained using the coupled-cluster method with single, double, and perturbative triple excitations as well as t-aug-cc-pV5Z and t-aug-cc-pV6Z basis sets including mid-bond functions, with the 6Z basis set being newly constructed for this study. Higher orders of coupled-cluster terms were considered in a successive scheme up to full quadruple excitations. Core-core and core-valence correlation effects were included. Furthermore, relativistic effects were studied not only at a scalar relativistic level using second-order direct perturbation theory, but also utilizing full four-component and Gaunt-effect computations. An analytical pair potential function was fitted to the interaction energies, which is characterized by a depth of 200.88 K with an estimated standard uncertainty of 0.51 K. Thermophysical properties of low-density krypton were calculated for temperatures up to 5000 K. Second and third virial coefficients were obtained from statistical thermodynamics. Viscosity and thermal conductivity as well as the self-diffusion coefficient were computed using the kinetic theory of gases. The theoretical results are compared with experimental data and with results for other pair potential functions from the literature, especially with those calculated from the recently developed ab initio potential of Waldrop et al. [J. Chem. Phys. 142, 204307 (2015)]. Highly accurate experimental viscosity data indicate that both the present ab initio pair potential and the one of Waldrop et al. can be regarded as reference potentials, even though the quantum-chemical methods and basis sets differ. However, the uncertainties of the present potential and of the derived properties are estimated to be considerably lower.

Exciting Quantized Vortex Rings in a Superfluid Unitary Fermi Gas

NASA Astrophysics Data System (ADS)

Bulgac, Aurel

2014-03-01

In a recent article, Yefsah et al., Nature 499, 426 (2013) report the observation of an unusual quantum excitation mode in an elongated harmonically trapped unitary Fermi gas. After phase imprinting a domain wall, they observe collective oscillations of the superfluid atomic cloud with a period almost an order of magnitude larger than that predicted by any theory of domain walls, which they interpret as a possible new quantum phenomenon dubbed ``a heavy soliton'' with an inertial mass some 50 times larger than one expected for a domain wall. We present compelling evidence that this ``heavy soliton'' is instead a quantized vortex ring by showing that the main aspects of the experiment can be naturally explained within an extension of the time-dependent density functional theory (TDDFT) to superfluid systems. The numerical simulations required the solution of some 260,000 nonlinear coupled time-dependent 3-dimensional partial differential equations and was implemented on 2048 GPUs on the Cray XK7 supercomputer Titan of the Oak Ridge Leadership Computing Facility.

Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme.

PubMed

Li, Shaohong L; Truhlar, Donald G

2015-07-14

Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations and atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.

Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme

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

Li, Shaohong L.; Truhlar, Donald G.

Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations andmore » atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.« less

Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme

DOE PAGES

Li, Shaohong L.; Truhlar, Donald G.

2015-05-22

Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations andmore » atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.« less

Resolving shocked and UV excited components of H2 emission in planetary nebulae with high-resolution near-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Kaplan, Kyle; Dinerstein, Harriet L.; Jaffe, Daniel Thomas

2016-06-01

Planetary nebulae (PNe) form when low and intermediate-mass stars eject their outer layers into the ISM at the end of the AGB phase. Many PNe exhibit near-infrared (NIR) emission from molecular hydrogen (H2). This NIR emission arises from radiative decay out of excited rotation-vibration (rovibrational) states. The rovibrational states can be populated by excitation to higher electronic states through absorption of a far-UV photon followed by a radiative cascade to the electronic ground state, or by collisions (e.g., in a hot gas). The two processes populate the rovibrational levels of H2 differently, so the observed emergent emission spectrum provides an effective probe of the mechanisms that excite the H2. Many PNe display line intensity ratios that are intermediate between these two processes (Otsuka et al. 2013). With the advantages of the high spectral resolution (R~40000), broad wavelength coverage (1.45-2.45 μm), and high spatial resolution of the Immersion GRating Infrared Spectrometer (IGRINS, Park et al. 2014), we are able to differentiate components in position-velocity space: we see a slowly expanding UV-excited H2 shell in the PN M 1-11 and two faster moving “bullets” of thermalized H2 that we interpret as shocked gas from a bipolar outflow. We also present observations of several other PNe that exhibit similar morphologies of thermalized and UV-excited H2 components.

Tetracarboxy-phthalocyanines: From excited state dynamics to photodynamic inactivation against Bovine herpesvirus type 1.

PubMed

Cocca, Leandro H Z; Oliveira, Taise M A; Gotardo, Fernando; Teles, Amanda V; Menegatti, Ricardo; Siqueira, Jonathas P; Mendonça, Cleber R; Bataus, Luiz A M; Ribeiro, Anderson O; Souza, Thalita F M; Souza, Guilherme R L; Gonçalves, Pablo J; De Boni, Leonardo

2017-10-01

Herein we present the excited state dynamic of zinc and aluminum tetracarboxy-phthalocyanines (ZnPc and AlPc) and its application in the photodynamic inactivation (PDI) of Bovine herpesvirus type 1 (BoHV-1) in vitro. The excited state dynamic provides valuable data to describe the excited state properties of potential optical limiters and/or photosensitizers (PSs), such as: the excited state cross-sections, fluorescence lifetime and triplet state quantum yield. The excited state characterization was performed using three different Z-scan techniques: Single Pulse, White Light Continuum and Pulse Train. Considering the photodynamic inactivation of BoHV-1, an initial viral suspension containing 10 5.75 TCID 50 /mL was incubated with the PSs for 1h at 37°C under agitation and protected from light. The samples were placed in microtiter plates and irradiated (180mW/cm 2 ). During irradiation, a sample was taken every 15min and the viability of the virus was evaluated. The results show that both phthalocyanines were efficient against viruses. However, a higher photodynamic efficiency was observed by ZnPc, which can be attributed to its higher triplet and singlet quantum yields. The results presented here are important for animal health (treatment of BoHV-1) and also open up a field of studies to use AlPc and ZnPc as potential agents against a wide range of microorganisms of veterinary interest. Copyright © 2017 Elsevier B.V. All rights reserved.

Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model.

PubMed

Xu, Peng; Zhang, Cai-Rong; Wang, Wei; Gong, Ji-Jun; Liu, Zi-Jiang; Chen, Hong-Shan

2018-04-10

The understanding of the excited-state properties of electron donors, acceptors and their interfaces in organic optoelectronic devices is a fundamental issue for their performance optimization. In order to obtain a balanced description of the different excitation types for electron-donor-acceptor systems, including the singlet charge transfer (CT), local excitations, and triplet excited states, several ab initio and density functional theory (DFT) methods for excited-state calculations were evaluated based upon the selected model system of benzene-tetracyanoethylene (B-TCNE) complexes. On the basis of benchmark calculations of the equation-of-motion coupled-cluster with single and double excitations method, the arithmetic mean of the absolute errors and standard errors of the electronic excitation energies for the different computational methods suggest that the M11 functional in DFT is superior to the other tested DFT functionals, and time-dependent DFT (TDDFT) with the Tamm-Dancoff approximation improves the accuracy of the calculated excitation energies relative to that of the full TDDFT. The performance of the M11 functional underlines the importance of kinetic energy density, spin-density gradient, and range separation in the development of novel DFT functionals. According to the TDDFT results, the performances of the different TDDFT methods on the CT properties of the B-TCNE complexes were also analyzed.

Probing collective oscillation of d -orbital electrons at the nanoscale

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

Dhall, Rohan; Vigil-Fowler, Derek; Houston Dycus, J.

Here, we demonstrate that high energy electrons can be used to explore the collective oscillation of s, p, and d orbital electrons at the nanometer length scale. Using epitaxial AlGaN/AlN quantum wells as a test system, we observe the emergence of additional features in the loss spectrum with the increasing Ga content. A comparison of the observed spectra with ab-initio theory reveals that the origin of these spectral features lies in excitations of 3d-electrons contributed by Ga. We find that these modes differ in energy from the valence electron plasmons in Al1-xGaxN due to the different polarizabilities of the dmore » electrons. Finally, we study the dependence of observed spectral features on the Ga content, lending insights into the origin of these spectral features, and their coupling with electron-hole excitations.« less

Evaluation of resonances above the proton threshold in 26Si

NASA Astrophysics Data System (ADS)

Chipps, K. A.

2016-09-01

26Al remains an intriguing target for observational gamma-ray astronomy, thanks to its characteristic decay. The 25Al(p, γ)26Si reaction is the crucial link in a sequence that bypasses the production of the observable 26Alg . s . in favor of the isomeric state, and as such has been the focus of many studies. Considerable confusion in this regard has arisen from the use of outdated excitation energies and masses in reaction studies and rate evaluations. Recalibration of existing data from the literature has resulted in updated excitation and resonance energies, but open questions remain, particularly with regard to spin assignments and partial widths/resonance strengths. A discussion of the levels just above the proton threshold in 26Si relevant to the astrophysical 25Al(p, γ)26Si reaction rate will be presented. This work is funded by the US Department of Energy, Office of Science, Office of Nuclear Physics.

Doppler broadening in the β-proton- γ decay sequence

NASA Astrophysics Data System (ADS)

Schwartz, Sarah; Wrede, C.; Bennett, M. B.; Liddick, S. N.; Perez-Loureiro, D.; Bowe, A.; Chen, A. A.; Chipps, K. A.; Cooper, N.; Irvine, D.; McNeice, E.; Montes, F.; Naqvi, F.; Ortez, R.; Pain, S. D.; Pereira, J.; Prokop, C.; Quaglia, J.; Quinn, S. J.; Sakstrup, J.; Santia, M.; Shanab, S.; Simon, A.; Spyrou, A.; Thiagalingam, E.

2015-10-01

We report the first observation of Doppler-broadening in β delayed proton- γ decay. The broadening occurs because the daughter nucleus γ decays while recoiling from proton emission. A method to analyze β delayed nucleon emission was applied to two Doppler-broadened 25Al peaks from the 26P(βpγ)25Al decay. The method was first tested on the broad 1613 keV γ-ray peak using known center-of-mass proton energies as constraints. The method was then applied to the 1776 keV γ-ray peak from the 2720 keV excited state of 25Al. The broadening was used to determine a 26Si excitation energy of 13.3 +/- 1.0 (stat.) +/- 0.7 (syst.) MeV. This energy is consistent with proton emission from the known T = 2 isobaric analog state of 26P in 26Si.

Femtosecond laser excitation of multiple spin waves and composition dependence of Gilbert damping in full-Heusler Co{sub 2}Fe{sub 1−x}Mn{sub x}Al films

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

Cheng, Chuyuan; Li, Shufa; Lai, Tianshu, E-mail: stslts@mail.sysu.edu.cn, E-mail: jhzhao@red.semi.ac.cn

2013-12-02

Spin-wave dynamics in 30 nm thick Co{sub 2}Fe{sub 1−x}Mn{sub x}Al full-Heusler films is investigated using time-resolved magneto-optical polar Kerr spectroscopy under an external field perpendicular to films. Damon-Eshbach (DE) and the first-order perpendicular standing spin-wave (PSSW) modes are observed simultaneously in four samples with x = 0, 0.3, 0.7, and 1. The frequency of DE and PSSW modes does not apparently depend on composition x, but damping of DE mode significantly on x and reaches the minimum as x = 0.7. The efficient coherent excitation of DE spin wave exhibits the promising application of Co{sub 2}Fe{sub 0.3}Mn{sub 0.7}Al films in magnonic devices.

Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra

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

Tu, Guangde; Rinkevicius, Zilvinas; Vahtras, Olav

We outline an approach within time-dependent density functional theory that predicts x-ray spectra on an absolute scale. The approach rests on a recent formulation of the resonant-convergent first-order polarization propagator [P. Norman et al., J. Chem. Phys. 123, 194103 (2005)] and corrects for the self-interaction energy of the core orbital. This polarization propagator approach makes it possible to directly calculate the x-ray absorption cross section at a particular frequency without explicitly addressing the excited-state spectrum. The self-interaction correction for the employed density functional accounts for an energy shift of the spectrum, and fully correlated absolute-scale x-ray spectra are thereby obtainedmore » based solely on optimization of the electronic ground state. The procedure is benchmarked against experimental spectra of a set of small organic molecules at the carbon, nitrogen, and oxygen K edges.« less

Photon harvesting, coloring and polarizing in photovoltaic cell integrated color filters: efficient energy routing strategies for power-saving displays.

PubMed

Wen, Long; Chen, Qin; Song, Shichao; Yu, Yan; Jin, Lin; Hu, Xin

2015-07-03

We describe the integral electro-optical strategies that combine the functionalities of photovoltaic (PV) electricity generation and color filtering as well as polarizing to realize more efficient energy routing in display technology. Unlike the conventional pigment-based filters and polarizers, which absorb substantial amounts of unwanted spectral components and dissipate them in the form of heat, we propose converting the energy of those photons into electricity by constructing PV cell-integrated color filters based on a selectively transmitting aluminum (Al) rear electrode perforated with nanoholes (NHs). Combining with a dielectric-metal-dielectric (DMD) front electrode, the devices were optimized to enable efficient cavity-enhanced photon recycling in the PV functional layers. We perform a comprehensive theoretical and numerical analysis to explore the extraordinary optical transmission (EOT) through the Al NHs and identify basic design rules for achieving structural coloring or polarizing in our PV color filters. We show that the addition of thin photoactive polymer layers on the symmetrically configured Al NH electrode narrows the bandwidth of the EOT-assisted high-pass light filtering due to the strongly damped anti-symmetric coupling of the surface modes excited on the front and rear surface of the Al NHs, which facilitates the whole visible coloring with relatively high purity for the devices. By engineering the cut-off characteristics of the plasmonic waveguide mode supported by the circular or ellipsoidal Al NHs, beyond the photon recycling capacity, PV color filters and PV polarizing color filters that allow polarization-insensitive and strong polarization-anisotropic color filtering were demonstrated. The findings presented here may shed some light on expanding the utilization of PV electricity generation across new-generation energy-saving electrical display devices.

Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange.

PubMed

Heßelmann, Andreas

2015-04-14

Molecular excitation energies have been calculated with time-dependent density-functional theory (TDDFT) using random-phase approximation Hessians augmented with exact exchange contributions in various orders. It has been observed that this approach yields fairly accurate local valence excitations if combined with accurate asymptotically corrected exchange-correlation potentials used in the ground-state Kohn-Sham calculations. The inclusion of long-range particle-particle with hole-hole interactions in the kernel leads to errors of 0.14 eV only for the lowest excitations of a selection of three alkene, three carbonyl, and five azabenzene molecules, thus surpassing the accuracy of a number of common TDDFT and even some wave function correlation methods. In the case of long-range charge-transfer excitations, the method typically underestimates accurate reference excitation energies by 8% on average, which is better than with standard hybrid-GGA functionals but worse compared to range-separated functional approximations.

Luminescence optimization of MBO 3:Eu 3+ (M=Y, Gd, Al) red phosphor by spray pyrolysis using combinatorial chemistry

NASA Astrophysics Data System (ADS)

Youl Jung, Kyeong

2010-08-01

Conventional solution-based combinatorial chemistry was combined with spray pyrolysis and applied to optimize the luminescence properties of (Y x, Gd y, Al z)BO 3:Eu 3+ red phosphor under vacuum ultraviolet (VUV) excitation. For the Y-Gd-Al ternary system, a compositional library was established to seek the optimal composition at which the highest luminescence under VUV (147 nm) excitation could be achieved. The Al content was found to mainly control the relative peak ratio (R/O) of red and orange colors due to the 5D 0→ 7F 2 to 5D 0→ 7F 1 transitions of Eu 3+. The substitution of Gd atoms in the place of Y sites did not contribute to change the R/O ratio, but was helpful to enhance the emission intensity. As a result, the 613 nm emission peak due to the 5D 0→ 7F 2 transitions of Eu 3+ was intensified by increasing the Al/Gd ratio at a fixed Y content, resulting in the improvement of the color coordinate. Finally, the optimized host composition was (Y 0.11, Gd 0.10, Al 0.79)BO 3 in terms of the emission intensity at 613 nm and the color coordinate.

Probing defect emissions in bulk, micro- and nano-sized α-Al2O3 via X-ray excited optical luminescence

NASA Astrophysics Data System (ADS)

Wang, Zhiqiang; Li, Chunlei; Liu, Lijia; Sham, Tsun-Kong

2013-02-01

The electronic structure and optical properties of bulk, micro-sized, and nano-sized α-Al2O3 (wafer, microparticles (MPs), nanowires (NWs), and nanotubes (NTs)) have been investigated using X-ray absorption near-edge structures (XANES) and X-ray excited optical luminescence (XEOL). XANES results show that the wafer, MPs, and NTs have characteristic features of α-Al2O3. The NWs have a core/shell structure with a single crystalline α-Al2O3 core surrounded by an amorphous shell, which is consistent with transmission electron microscopy result. It is found that some Al3+ in the shell and core/shell interface of the NWs as well as the surface of the NTs were reduced to Al2+ or Al1+ during the growth process. XEOL results show that the wafer and MPs have a broad emission at 325 nm and a sharp emission at 694 nm, which are attributed to F+ center and Cr3+ impurities, respectively. The NWs exhibit an intense emission at 404 nm that comes from F center, while the NTs show relatively weak luminescence at 325, 433, and 694 nm, which are attributed to F+ center, F center, and Cr3+ impurities, respectively. The O K-edge XEOL confirms that the emissions of α-Al2O3 in the range of 250-550 nm are related to the oxygen site. Furthermore, on the basis of XEOL and photoluminescence yield, the strong luminescence of the NWs (404 nm) is related to the Al2+ or Al1+ in the shell and core/shell interface, while the luminescence of the NTs at 325 and 433 nm are related to the bulk and the Al2+ or Al1+ on the surface, respectively.

Spectroscopic analysis of the NIR emission in Tm implanted Al{sub x}Ga{sub 1-x}N layers

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

Rodrigues, J., E-mail: joana.catarina@ua.pt; Esteves, T. C.; Santos, N. F.

2016-08-28

Al{sub x}Ga{sub 1-x}N samples, with different AlN molar fractions, x = 0, 0.15, 0.77, and 1, grown by halide vapor phase epitaxy were implanted with Tm ions. Photoluminescence (PL) measurements revealed that after thermal annealing all the samples exhibit intraionic Tm{sup 3+} luminescence. In samples with x > 0, the low temperature emission is dominated by the lines that appear in the near infrared (NIR) spectral region, corresponding to the overlapped {sup 1}G{sub 4} → {sup 3}H{sub 5} and {sup 3}H{sub 4} → {sup 3}H{sub 6} multiplet transitions. A detailed spectroscopic analysis of NIR emission of the thulium implanted and annealed Al{sub x}Ga{sub 1-x}Nmore » layers is presented by using temperature dependent steady-state PL, room temperature PL excitation, and time resolved PL. The results indicate that the excitonic features sensitive to the alloy disorder are involved in the excitation population processes of the Tm{sup 3+} luminescence and the highest thermal stability for the NIR emission occurs for the AlN:Tm sample.« less

High-Frequency Ground-Motion Parameters from Weak-Motion Data in the Sicily Channel and Surrounding Regions

NASA Astrophysics Data System (ADS)

D'Amico, Sebastiano; Akinci, Aybige; Pischiutta, Marta

2018-03-01

In this paper we characterize the high frequency (1.0 - 10 Hz) seismic wave crustal attenuation and the source excitation in the Sicily Channel and surrounding regions using background seismicity from weak-motion database. The data set includes 15995 waveforms related to earthquakes having local magnitude ranging from 2.0 to 4.5 recorded between 2006 and 2012. The observed and predicted ground motions form the weak-motion data are evaluated in several narrow frequency bands from 0.25 to 20.0 Hz. The filtered observed peaks are regressed to specify a proper functional form for the regional attenuation, excitation and site specific term separately. The results are then used to calibrate effective theoretical attenuation and source excitation models using the Random Vibration Theory (RVT). In the log-log domain, the regional seismic wave attenuation and the geometrical spreading coefficient are modeled together. The geometrical spreading coefficient, g (r), modeled with a bilinear piecewise functional form and given as g (r) ∝ r-1.0 for the short distances (r < 50 km) and as g (r) ∝ r-0.8 for the larger distances (r < 50 km). A frequency-dependent quality factor, inverse of the seismic attenuation parameter, Q(f) = 160 f/fref 0. 35 (where fref = 1.0 Hz), is combined to the geometrical spreading. The source excitation terms are defined at a selected reference distance with a magnitude independent roll-off spectral parameter, κ 0.04 s and with a Brune stress drop parameter increasing with moment magnitude, from Δσ = 2 MPa for Mw = 2.0 to Δσ = 13 MPa for Mw = 4.5. For events M≤4.5 (being Mwmax = 4.5 available in the dataset) the stress parameters are obtained by correlating the empirical/excitation source spectra with the Brune spectral model as function of magnitude. For the larger magnitudes (Mw>4.5) outside the range available in the calibration dataset where we do not have recorded data, we extrapolate our results through the calibration of the stress parameters of the Brune source spectrum over the Bindi et al. (2011) ground motion prediction equation (GMPE) selected as a reference model (hereafter also ITA10).

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation.

PubMed

Hoyer, Chad E; Ghosh, Soumen; Truhlar, Donald G; Gagliardi, Laura

2016-02-04

A correct description of electronically excited states is critical to the interpretation of visible-ultraviolet spectra, photochemical reactions, and excited-state charge-transfer processes in chemical systems. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory and a new kind of density functional called an on-top density functional. Here, we show that MC-PDFT with a first-generation on-top density functional performs as well as CASPT2 for an organic chemistry database including valence, Rydberg, and charge-transfer excitations. The results are very encouraging for practical applications.

Observation of Doppler broadening in beta-delayed proton-gamma decay

NASA Astrophysics Data System (ADS)

Schwartz, Sarah

The Doppler broadening of gamma-ray peaks due to nuclear recoil from beta-delayed nucleon emission can be used to measure the energies of the nucleons. The purpose of this Thesis is to test and apply this Doppler broadening method using gamma-ray peaks from the 26P(betapgamma) 25Al decay sequence. A fast beam of 26P was implanted into a planar Ge detector, which was used as a 26P beta-decay trigger. The SeGA array of high-purity Ge detectors was used to detect gamma rays from the 26P(betapgamma)25Al decay sequence. Radiative Doppler broadening in beta-delayed proton-gamma decay was observed for the first time. The Doppler broadening analysis method was verified using the 1613 keV gamma-ray line for which the proton energies were previously known. The 1776 keV gamma ray de-exciting the 2720 keV 25Al level was observed in 26P(betapgamma) 25Al decay for the first time and used to determine that the center-of-mass energy of the proton emission feeding the 2720-keV level is 5.1 +/- 1.0 (stat.) +/- 0.6 (syst.) MeV, corresponding to a 26Si excitation energy of 13.3 +/- 1.0 (stat.) +/- 0.7 (syst.) MeV for the proton-emitting level. The Doppler broadening method has been demonstrated to provide practical measurements of the energies for beta-delayed nucleon emissions populating excited states of nuclear recoils at least as heavy as A = 25.

B-periodic oscillations in the Hall-resistance induced by a dc-current-bias under combined microwave-excitation and dc-current bias in the GaAs/AlGaAs 2D system.

PubMed

Liu, Han-Chun; Reichl, C; Wegscheider, W; Mani, R G

2018-05-18

We report the observation of dc-current-bias-induced B-periodic Hall resistance oscillations and Hall plateaus in the GaAs/AlGaAs 2D system under combined microwave radiation- and dc bias excitation at liquid helium temperatures. The Hall resistance oscillations and plateaus appear together with concomitant oscillations also in the diagonal magnetoresistance. The periods of Hall and diagonal resistance oscillations are nearly identical, and source power (P) dependent measurements demonstrate sub-linear relationship of the oscillation amplitude with P over the span 0 < P ≤ 20 mW.

Comment on "Electron impact excitation of N-like ions from the ICFT R-matrix calculation" by HB Wang, G Jiang, XF Li, and ZC He in At. Data Nucl. Data Tables 120 (2018) 373-429

NASA Astrophysics Data System (ADS)

Aggarwal, Kanti M.

2018-03-01

The paper "Electron impact excitation of N-like ions from the ICFT R-matrix calculation" by Wang et al. [1] lacks details of calculations, presents only limited data, and has a few anomalies, as listed below.

Observation of impulsive acoustic events and the excitation of solar oscillations. Annual report, 1 November 1991-31 October 1992

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

Restaino, S.R.; Stebbins, R.T.; Goode, P.R.

1992-12-04

The five-minute solar oscillation has been exploited in numerous seismic studies in which internal properties of the Sun have been inferred. It is generally regarded that these modes are excited by turbulent convection in the Sun's outermost layers. We observe the oscillatory wakes caused by impulsive events, matching those described by Lamb (1909). These correspond to the events modeled by Goode, et al., which they associate with excitation of the global five-minute oscillations.... Sun: Oscillations, Sun: Atmospheric motions, Sun: Atmosphere.

Optical spectroscopy of molecular positronium.

PubMed

Cassidy, D B; Hisakado, T H; Tom, H W K; Mills, A P

2012-03-30

We report optical spectroscopic measurements of molecular positronium (Ps(2)), performed via a previously unobserved L=1 excited state. Ps(2) molecules created in a porous silica film, and also in vacuum from an Al(111) crystal, were resonantly excited and then photoionized by pulsed lasers, providing conclusive evidence for the production of this molecular matter-antimatter system and its excited state. Future experiments making use of the photoionized vacuum L=1 Ps(2) could provide a source of Ps(+) ions, as well as other multipositronic systems, such as Ps(2)H(-) or Ps(2)O.

Electron capture from circular Rydberg atoms

NASA Astrophysics Data System (ADS)

Lundsgaard, M. F. V.; Chen, Z.; Lin, C. D.; Toshima, N.

1995-02-01

Electron capture cross sections from circular Rydberg states as a function of the angle cphi between the ion velocity and the angular momentum of the circular orbital have been reported recently by Hansen et al. [Phys. Rev. Lett. 71, 1522 (1993)]. We show that the observed cphi dependence can be explained in terms of the propensity rule that governs the dependence of electron capture cross sections on the magnetic quantum numbers of the initial excited states. We also carried out close-coupling calculations to show that electron capture from the circular H(3d,4f,5g) states by protons at the same scaled velocity has nearly the same cphi dependence.

Polarization of resonantly excited X-ray lines

NASA Astrophysics Data System (ADS)

Shah, Chintan; Amaro, Pedro; Steinbrügge, René; Bernitt, Sven; Fritzsche, Stephan; Surzhykov, Andrey; Crespo Lopez-Urrutia, José R.; Tashenov, Stanislav

2017-08-01

For a wide range of temperatures, resonantly captured electrons with energies below the excitation threshold are the strongest source of X-ray line excitation in hot plasmas containing highly charged Fe ions. The angular distribution and polarization of X-rays emitted due to these processes were experimentally studied using an electron beam ion trap. The electron-ion collision energy was scanned over the KLL dielectronic, trielectronic, and quadruelectronic recombination resonances of Fe18+..24+ and Kr28+..34+ with an exemplary resolution of ~6 eV. The angular distribution of induced X-ray fluorescence was measured along and perpendicular to the electron beam propagation direction [1]. Subsequently, the polarization of X-ray fluorescence was also measured using a novel Compton polarimeter [2, 3].The experimental data reveal the alignment of the populated excited states and exhibit a high sensitivity to the relativistic Breit interaction [2, 4]. We observed that most of the transitions lead to polarization, including hitherto-neglected trielectronic and quadruelectronic recombination channels. Furthermore, these channels dominate the polarization of the prominent Kα X-rays emitted by hot anisotropic plasmas in a wide temperature range. The present experimental results comprehensively benchmark full-order atomic calculations carried out with the FAC [5] and RATIP [6] codes. We conclude that accurate polarization diagnostics of hot anisotropic plasmas, e.~g., of solar flares and active galactic nuclei, and laboratory fusion plasmas of tokamaks can only be obtained under the premise of careful inclusion of relativistic effects and higher-order resonances which were often neglected in previous works [1]. The present experiments also demonstrate the suitability of the applied technique for accurate directional diagnostics of electron or ion beams in hot plasmas [7].[1] C. Shah et al., Phys. Rev. E 93, 061201 (R) (2016)[2] C. Shah et al., Phys. Rev. A 92, 042702 (2015)[3] S. Weber et al., Rev. Sci. Instr. 86, 093110 (2015)[4] P. Amaro et al., Phys. Rev. A 95, 022712 (2017)[5] M. F. Gu, Can. Phys. J 86, 675 (2008)[6] S. Fritzsche, Comput. Phys. Commu. 183, 1525-1559 (2012)[7] C. Shah et al., submitted (2017)

Aspect ratio dependence of the enhancement of fluorescence intensity by gold nanobipyramids for cancer cell imaging and photodynamic therapy

NASA Astrophysics Data System (ADS)

Wang, Jing; Wang, Shimiao; Mi, Lan; Liu, Jun

2018-07-01

Enhancement of dye fluorescence intensity was studied by modifying the aspect ratio of gold nanobipyramids (AuBPs) from 3.2 to 6.6. The emission fluorescence intensity of sulfonated aluminum phthalocyanine (AlPcS) was strongly dependent on the aspect ratio of AuBPs. Furthermore, we found that the energy transfer from excited AlPcS to AuBPs was a key determinant of the efficacy of metal-enhanced fluorescence. By means of AuBPs with a higher aspect ratio, such that the surface plasmon resonance band does not overlap with the energy level of excited AlPcS, metal-enhanced fluorescence of various AlPcS–AuBP conjugates was determined, and the maximal enhancement factor was found to be 14. The enhanced fluorescence intensity of AlPcS conjugated with AuBPs indicates promising plasmonic properties. An apoptosis assay of HeLa cells revealed that AlPcS–AuBPs, when used as a drug, can enhance the effectiveness of photodynamic therapy (PDT). Furthermore, AuBPs with the longitudinal absorption peak wavelength of 1050 nm had optimal proapoptotic effects. HeLa cells treated with AlPcS–AuBPs (ratio 0.42 µM to 0.01 nM) had viability as low as 29.31% after 32 J cm‑2 ultraviolet light exposure, indicating the strong potential of AlPcS–AuBPs to improve the efficacy of PDT.

Exploring excited eigenstates of many-body systems using the functional renormalization group

NASA Astrophysics Data System (ADS)

Klöckner, Christian; Kennes, Dante Marvin; Karrasch, Christoph

2018-05-01

We introduce approximate, functional renormalization group based schemes to obtain correlation functions in pure excited eigenstates of large fermionic many-body systems at arbitrary energies. The algorithms are thoroughly benchmarked and their strengths and shortcomings are documented using a one-dimensional interacting tight-binding chain as a prototypical testbed. We study two "toy applications" from the world of Luttinger liquid physics: the survival of power laws in lowly excited states as well as the spectral function of high-energy "block" excitations, which feature several single-particle Fermi edges.

Quantum and quasi-classical calculations for the S+ + H2(v, j) →SH+(v′, j′)+H reactive collisions

PubMed Central

Zanchet, Alexandre; Roncero, Octavio; Bulut, Niyazi

2016-01-01

State-to-state cross sections for the S+ + H2(v, j) → SH+ (v′, j′) + H endothermic reaction are obtained with quantum wave packet(WP) and quasi-classical (QCT) methods for different initial rovibrational H2(v, j) over a wide range of translation energies. Final state distribution as a function of the initial quantum number is obtained and discussed. Additionally, the effect of the internal excitation of H2 on the reactivity is carefully studied. It appears that energy transfer among modes is very inefficient, that vibrational energy is the most favorable for reaction and rotational excitation significantly enhance reactivity when vibrational energy is sufficient to reach the product. Special attention is also paid on an unusual discrepancy between classical and quantum dynamics for low rotational levels while agreement improves with rotational excitation of H2, An interesting resonant behaviour found in WP calculations is also discussed and is associated to the existence of roaming classical trajectories that enhance the reactivity of the title reaction. Finally, a comparison with the experimental results of Stowe et al.[1] for S+ + HD and S+ +D2 reactions, finding a reasonably good agreement with those results. PMID:27055725

Quantum and quasi-classical calculations for the S⁺ + H₂(v,j) → SH⁺(v',j') + H reactive collisions.

PubMed

Zanchet, Alexandre; Roncero, Octavio; Bulut, Niyazi

2016-04-28

State-to-state cross-sections for the S(+) + H2(v,j) → SH(+)(v',j') + H endothermic reaction are obtained using quantum wave packet (WP) and quasi-classical (QCT) methods for different initial ro-vibrational H2(v,j) over a wide range of translation energies. The final state distribution as a function of the initial quantum number is obtained and discussed. Additionally, the effect of the internal excitation of H2 on the reactivity is carefully studied. It appears that energy transfer among modes is very inefficient that vibrational energy is the most favorable for the reaction, and rotational excitation significantly enhances the reactivity when vibrational energy is sufficient to reach the product. Special attention is also paid to an unusual discrepancy between classical and quantum dynamics for low rotational levels while agreement improves with rotational excitation of H2. An interesting resonant behaviour found in WP calculations is also discussed and associated with the existence of roaming classical trajectories that enhance the reactivity of the title reaction. Finally, a comparison with the experimental results of Stowe et al. for S(+) + HD and S(+) + D2 reactions exhibits a reasonably good agreement with those results.

Vibrational energy transfer near a dissociative adsorption transition state: State-to-state study of HCl collisions at Au(111).

PubMed

Geweke, Jan; Shirhatti, Pranav R; Rahinov, Igor; Bartels, Christof; Wodtke, Alec M

2016-08-07

In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translational energy of the incident HCl molecules in the range near the dissociation barrier. Specifically, we report absolute vibrational excitation probabilities for HCl(v = 0 → 1) and HCl(v = 1 → 2) scattering from clean Au(111) as a function of surface temperature and incidence translational energy. The HCl(v = 2 → 3) channel could not be observed-presumably due to the onset of dissociation. The excitation probabilities can be decomposed into adiabatic and nonadiabatic contributions. We find that both contributions strongly increase with incidence vibrational state by a factor of 24 and 9, respectively. This suggests that V-T as well as V-EHP coupling can be enhanced near the transition state for dissociative adsorption at a metal surface. We also show that previously reported HCl(v = 0 → 1) excitation probabilities [Q. Ran et al., Phys. Rev. Lett. 98, 237601 (2007)]-50 times smaller than those reported here-were influenced by erroneous assignment of spectroscopic lines used in the data analysis.

Pressure Dependence of Excitation Cross Sections for Resonant Levels of Rare Gases

NASA Astrophysics Data System (ADS)

Stewart, Michael D.; Chilton, J. Ethan; Lin, Chun C.

2000-06-01

In the rare gases, the excited n'p^5ns and n'p^5nd levels with J = 1 are optically coupled to ground as well as lower lying p levels. Resonant photons emitted when the atom decays to ground can be reabsorbed by another ground-state atom. At low gas pressures this reabsorption occurs infrequently, but at higher pressures becomes increasingly likely until the resonant transition is completely suppressed. This enhances the cascade transitions into lower p levels, resulting in pressure dependent optical emission cross sections. This reabsorption process can be understood quantitatively with a model developed by Heddle et al(D. W. O. Heddle and N. J. Samuel, J. Phys. B 3), 1593 (1970).. The radiation from transitions into the nonresonant levels often lie in the ir, while the resonant radiation is always in the uv spectral region. Using a Fourier-transform spectrometer, one can measure the cross sections for the ir transitions as a function of pressure. The Heddle model can be fit to these data with the use of theoretical values for the Einstein A coefficients. This provides a test of the accuracy of calculated A values. Discussion will include cross section measurements for Ne, Ar, and Kr excited by electron impact over a range of gas pressures.

Studies of Plasma Instability Processes Excited by Ground Based High Power HF (Heating) Facilities

DTIC Science & Technology

2001-04-01

and Megill, 1974; Carlson, 1974; Bernhardt et al., 1989). During the last years new interesting results have been obtained at HAARP facility (Peterson...Haslett and Megill, 1974; Carlson, 1974; Bernhardt et al., 1989). During the last years new interesting results have been obtained at HAARP facility

Compact Magnetic Antennas for Directional Excitation of Surface Plasmons

DTIC Science & Technology

2012-07-01

Steininger, G.; Koch, M.; von Plessen, G.; Feldmann, J. Launching surface plasmons into nanoholes in metal films. Appl. Phys. Lett. 2000, 76, 140−142...plasmons at single nanoholes in Au films. Appl. Phys. Lett. 2004, 85, 467−469. (14) Baudrion, A.-L.; et al. Coupling efficiency of light to surface

77 FR 68103 - Michigan State University, et al.; Notice of Decision on Applications for Duty-Free Entry of...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-15

... DEPARTMENT OF COMMERCE International Trade Administration Michigan State University, et al.; Notice of Decision on Applications for Duty-Free Entry of Scientific Instruments This is a decision... (OH) radicals. The hydroxyl which is excited using ultraviolet light (283 nm) will then fluoresce and...

Case Study 3: Students' Experiences of Interdisciplinary Learning While Building Scientific Video Games

ERIC Educational Resources Information Center

Jennett, Charlene; Papadopoulou, Sofia; Himmelstein, Jesse; Vaugoux, Alexandre; Roger, Vincent; Cox, Anna L.

2017-01-01

Game jams, hackathons and similar group game creation events have become increasingly popular over the past decade (Fowler et al., 2015). They provide new and exciting opportunities for education and research. They foster creative thinking and innovation (Preston et al., 2012), and strengthen project management and communication skills (Smith…

Electron-stimulated reactions in nanoscale water films adsorbed on α-Al 2 O 3 (0001)

DOE PAGES

Petrik, Nikolay G.; Kimmel, Greg A.

2018-01-01

100 eV electrons are stopped in the H 2 O portion of the isotopically-layered nanoscale film on α-Al 2 O 3 (0001) but D 2 is produced at the D 2 O/alumina interface by mobile electronic excitations and/or hydronium ions.

Crystal Growth and Luminescence Properties of Yb-doped Gd3Al2Ga3O12 Infra-red Scintillator

NASA Astrophysics Data System (ADS)

Suzuki, Akira; Kurosawa, Shunsuke; Nagata, Shinji; Yamamura, Tomoo; Pejchal, Jan; Yamaji, Akihiro; Yokota, Yuui; Shirasaki, Kenji; Homma, Yoshiya; Aoki, Dai; Shikama, Tatsuo; Yoshikawa, Akira

2014-07-01

1-mol%-Yb-doped Gd3Al2Ga3O12 infra-red scintillator crystal has been studied as a novel implantable radiation monitor in radiation therapy. Powder X-ray diffraction measurement and chemical analysis with a field emission scanning microscope and wavelength dispersive spectrometer determined its garnet structure and average chemical composition of Yb0.03±0.01Gd2.99±0.07Al2.21±0.08Ga2.64±0.09O12.10±0.09. Transmittance measurements reached high values of approximately 70% in the human body transparency region between 650 to 1200 nm. Photoluminescence peaks were detected around 970 and 1030 nm under the 940 nm excitation with a Xe lamp. Infra-red scintillation emissions were clearly observed around 970 and 1030 nm due to Yb3+ 4f-4f transitions under X-ray excitation. Therefore, these results suggest that Yb-doped Gd3Al2Ga3O12 might be used as an infra-red scintillator material.

Sensory cortex hyperexcitability predicts short survival in amyotrophic lateral sclerosis.

PubMed

Shimizu, Toshio; Bokuda, Kota; Kimura, Hideki; Kamiyama, Tsutomu; Nakayama, Yuki; Kawata, Akihiro; Isozaki, Eiji; Ugawa, Yoshikazu

2018-05-01

To investigate somatosensory cortex excitability and its relationship to survival prognosis in patients with amyotrophic lateral sclerosis (ALS). A total of 145 patients with sporadic ALS and 73 healthy control participants were studied. We recorded compound muscle action potential and sensory nerve action potential of the median nerve and the median nerve somatosensory evoked potential (SEP), and we measured parameters, including onset-to-peak amplitude of N13 and N20 and peak-to-peak amplitude between N20 and P25 (N20p-P25p). Clinical prognostic factors, including ALS Functional Rating Scale-Revised, were evaluated. We followed up patients until the endpoints (death or tracheostomy) and analyzed factors associated with survival using multivariate analysis in the Cox proportional hazard model. Compared to controls, patients with ALS showed a larger amplitude of N20p-P25p in the median nerve SEP. Median survival time after examination was shorter in patients with N20p-P25p ≥8 μV (0.82 years) than in those with N20p-P25p <8 μV (1.68 years, p = 0.0002, log-rank test). Multivariate analysis identified a larger N20p-P25p amplitude as a factor that was independently associated with shorter survival ( p = 0.002). Sensory cortex hyperexcitability predicts short survival in patients with ALS. © 2018 American Academy of Neurology.

Picosecond excite-and-probe absorption measurement of the intra-2E(g)E(3/2)-state vibrational relaxation time in Ti(3+):Al2O3

NASA Technical Reports Server (NTRS)

Gayen, S. K.; Wang, W. B.; Petricevic, V.; Yoo, K. M.; Alfano, R. R.

1987-01-01

The Ti(3+)-doped Al2O3 has been recently demonstrated to be a tunable solid-state laser system with Ti(3+) as the laser-active ion. In this paper, the kinetics of vibrational transitions in the 2E(g)E(3/2) electronic state of Ti(3+):Al2O3a (crucial for characterizing new host materials for the Ti ion) was investigated. A 527-nm 5-ps pulse was used to excite a band of higher vibrational levels of the 2E(g)E(3/2) state, and the subsequent growth of population in the zero vibrational level and lower vibrational levels was monitored by a 3.9-micron picosecond probe pulse. The time evolution curve in the excited 2E(g)E(3/2) state at room temperature was found to be characterized by a sharp rise followed by a long decay, the long lifetime decay reflecting the depopulation of the zero and the lower vibrational levels of the 2E(g)E(3/2) state via radiative transitions. An upper limit of 3.5 ps was estimated for intra-2E(g)E(3/2)-state vibrational relaxation time.

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.

Half-life and magnetic moment of the first excited state in {sup 132}I

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

Tanigaki, M.; Ohkubo, Y.; Izumi, S.

2009-09-15

The half-life and the magnetic moment were measured for the first excited state in {sup 132}I, of which the inconsistent results on the half-life have been reported by several other groups. This time, measurements were performed on {sup 132}I obtained as a decay product of a {sup 132}Te radioactive beam from the ion guide at Tohoku University. The half-life of this level was determined to be T{sub 1/2}=1.120{+-}0.015 ns using a conventional coincidence technique with a pair of BaF{sub 2} detectors. The time-differential perturbed angular correlation technique was successfully applied to the first excited state in {sup 132}I implanted intomore » nickel foils. The magnetic moment of this state was determined to be {mu}=+(2.06{+-}0.18){mu}{sub N}. The present results are consistent with values reported by Gorodetzky et al. and Singh et al.« less

Simultaneous laser excitation of backward volume and perpendicular standing spin waves in full-Heusler Co2FeAl0.5Si0.5 films

PubMed Central

Chen, Zhifeng; Yan, Yong; Li, Shufa; Xu, Xiaoguang; Jiang, Yong; Lai, Tianshu

2017-01-01

Spin-wave dynamics in full-Heusler Co2FeAl0.5Si0.5 films are studied using all-optical pump-probe magneto-optical polar Kerr spectroscopy. Backward volume magnetostatic spin-wave (BVMSW) mode is observed in films with thickness ranging from 20 to 100 nm besides perpendicular standing spin-wave (PSSW) mode, and found to be excited more efficiently than the PSSW mode. The field dependence of the effective Gilbert damping parameter appears especial extrinsic origin. The relationship between the lifetime and the group velocity of BVMSW mode is revealed. The frequency of BVMSW mode does not obviously depend on the film thickness, but the lifetime and the effective damping appear to do so. The simultaneous excitation of BVMSW and PSSW in Heusler alloy films as well as the characterization of their dynamic behaviors may be of interest for magnonic and spintronic applications. PMID:28195160

Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding.

PubMed

Kowalczyk, Tim; Le, Khoa; Irle, Stephan

2016-01-12

We present an implementation of energies and gradients for the ΔDFTB method, an analogue of Δ-self-consistent-field density functional theory (ΔSCF) within density-functional tight-binding, for the lowest singlet excited state of closed-shell molecules. Benchmarks of ΔDFTB excitation energies, optimized geometries, Stokes shifts, and vibrational frequencies reveal that ΔDFTB provides a qualitatively correct description of changes in molecular geometries and vibrational frequencies due to excited-state relaxation. The accuracy of ΔDFTB Stokes shifts is comparable to that of ΔSCF-DFT, and ΔDFTB performs similarly to ΔSCF with the PBE functional for vertical excitation energies of larger chromophores where the need for efficient excited-state methods is most urgent. We provide some justification for the use of an excited-state reference density in the DFTB expansion of the electronic energy and demonstrate that ΔDFTB preserves many of the properties of its parent ΔSCF approach. This implementation fills an important gap in the extended framework of DFTB, where access to excited states has been limited to the time-dependent linear-response approach, and affords access to rapid exploration of a valuable class of excited-state potential energy surfaces.

Linear and nonlinear optical absorption coefficients and refractive index changes in GaN/Al{sub x}Ga{sub (1−x)}N double quantum wells operating at 1.55 μm

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

Dakhlaoui, Hassen

2015-04-07

In the present paper, the linear and nonlinear optical absorption coefficients and refractive index changes between the ground and the first excited states in double GaN/Al{sub x}Ga{sub (1−x)}N quantum wells are studied theoretically. The electronic energy levels and their corresponding wave functions are obtained by solving Schrödinger-Poisson equations self-consistently within the effective mass approximation. The obtained results show that the optical absorption coefficients and refractive index changes can be red- and blue-shifted through varying the left quantum well width and the aluminum concentration x{sub b2} of the central barrier, respectively. These structural parameters are found to present optimum values formore » carrying out the transition of 0.8 eV (1.55 μm). Furthermore, we show that the desired transition can also be achieved by replacing the GaN in the left quantum well with Al{sub y}Ga{sub (1−y)}N and by varying the aluminum concentration y{sub Al}. The obtained results give a new degree of freedom in optoelectronic device applications such as optical fiber telecommunications operating at (1.55 μm)« less

The a 3Σg+ - b 3Σu+ Continuum Emission from Electron Impact of Molecular Hydrogen in Saturn's Atmosphere

NASA Astrophysics Data System (ADS)

Hein, J. D.; Johnson, P. V.; Liu, X.; Malone, C. P.; Khakoo, M. A.

2014-12-01

Shemansky et al. (2009, Planetary and Space Science 57: 1659-1670) have reported observations of hydrogen atoms flowing out of the top of Saturn's sunlit thermosphere in a confined, distinct plume of ballistic and escaping orbits, and a continuous distribution of H atoms from the top of Saturn's atmosphere to at least 45 Saturn radii (RS) in the satellite orbital plane and to 25 RS azimuthally above and below the plane. These observations have revealed the importance of the excitation of H2 by low energy electrons. H2 is efficiently excited to the triplet states by low energy electrons, and all triplet excitations result in the dissociation of H2 and the production of hot H atoms. Because of this, the electron impact excitation of H2 is an important energy deposition mechanism in the upper atmospheres of Saturn and other giant planets. The a 3Σg+ - b 3Σu continuum transition, which dominates all other H2 transitions in the 168-190 nm region, provides a unique spectral window through which the triplet transition can be observed with the Cassini spacecraft. The excitation and emission cross sections of the a 3Σg+ state and other triplet states are required for the extraction of the triplet emission and excitation rates from the apparent emission rate measured by the spacecraft. These emission and excitation rates, in turn, help to determine the energy deposition rate by electron impact excitation. Unfortunately, large discrepancies exist between published measurements of the a 3Σg+ - b 3Σu continuum transition. In order to begin to address this issue, we have recently revisited the problem by measuring electron impact induced a 3Σg+ - b 3Σu emission cross sections. We have also measured direct excitation cross sections of the triplet a 3Σg+ state. Using these, we are able to partition the excitation function into its direct and cascade components. As stated above, these results will enable improved understanding of phenomena observed in Saturn's atmosphere. Acknowledgement: This work was performed at the Jet Propulsion Laboratory (JPL), California Institute of Technology, under a contract with the National Aeronautics and Space Administration (NASA). Financial support through NASA's PATM program, as well as the NASA Postdoctoral Program (NPP) are gratefully acknowledged.

Comparisons of regional Hydrological Angular Momentum (HAM) of the different models

NASA Astrophysics Data System (ADS)

Nastula, J.; Kolaczek, B.; Popinski, W.

2006-10-01

In the paper hydrological excitations of the polar motion (HAM) were computed from various hydrological data series (NCEP, ECMWF, CPC water storage and LaD World Simulations of global continental water). HAM series obtained from these four models and the geodetic excitation function GEOD computed from the polar motion COMB03 data were compared in the seasonal spectral band. The results show big differences of these hydrological excitation functions as well as of their spectra in the seasonal spectra band. Seasonal oscillations of the global geophysical excitation functions (AAM + OAM + HAM) in all cases besides the NCEP/NCAR model are smaller than the geodetic excitation function. It means that these models need further improvement and perhaps not only hydrological models need improvements.

The role of the F spin-orbit excited state in the F+H(2) and F+HD reactions

NASA Astrophysics Data System (ADS)

Tzeng, Yi-Ren

In this dissertation we study the role of the F spin-orbit excited state (F*) in the F + H2 and F + HD reactions using quantum mechanical calculations. The calculations involve multiple potential energy surfaces (the Alexander-Stark-Werner, or ASW, PESs), and include an accurate treatment of the couplings (non-adiabatic, spin-orbit, and Coriolis) among all three electronic states. For the F + H2 reaction, we calculate the center-of-mass differential cross sections and laboratory-frame angular distributions at the four different combinations of collision energies and hydrogen isotopomer investigated in the experiments of Neumark et al. [J. Chem. Phys., 82, 3045 (1985)]. Comparisons with the calculations on the Stark-Werner (SW) and Hartke-Stark-Werner (HSW) PESs, which are limited to the lowest electronically adiabatic state, show that non-adiabatic couplings greatly reduce backward scattering. Surprisingly, we find the shapes of both the CM DCSs and LAB ADs are insensitive to the fraction of F* presented in the F beam. For the F + HD reaction, we calculate the excitation functions and product translational energy distribution functions to study the reactivity of F*. Comparisons with the experiment by Liu and co-workers [J. Chem. Phys., 113, 3633 (2000)] confirm the relatively low reactivity of spin-orbit excited state (F*) atoms. Excellent agreement with the experiment is obtained under the assumption that the F*:F concentration ratio equals 0.16:0.84 in the molecular beam, which corresponds to a thermal equilibrium of the two spin-orbit states at the experimental temperature (600K). From the accurate calculation of the F* reactivity and its relatively small contribution to the overall reactivity of the reaction, we attribute discrepancies between calculation and experiment to an inadequacy in the simulation of the reactivity of the F ground state, likely a result of the residual errors in the ground electronic potential energy surface.

Enhanced disease characterization through multi network functional normalization in fMRI.

PubMed

Çetin, Mustafa S; Khullar, Siddharth; Damaraju, Eswar; Michael, Andrew M; Baum, Stefi A; Calhoun, Vince D

2015-01-01

Conventionally, structural topology is used for spatial normalization during the pre-processing of fMRI. The co-existence of multiple intrinsic networks which can be detected in the resting brain are well-studied. Also, these networks exhibit temporal and spatial modulation during cognitive task vs. rest which shows the existence of common spatial excitation patterns between these identified networks. Previous work (Khullar et al., 2011) has shown that structural and functional data may not have direct one-to-one correspondence and functional activation patterns in a well-defined structural region can vary across subjects even for a well-defined functional task. The results of this study and the existence of the neural activity patterns in multiple networks motivates us to investigate multiple resting-state networks as a single fusion template for functional normalization for multi groups of subjects. We extend the previous approach (Khullar et al., 2011) by co-registering multi group of subjects (healthy control and schizophrenia patients) and by utilizing multiple resting-state networks (instead of just one) as a single fusion template for functional normalization. In this paper we describe the initial steps toward using multiple resting-state networks as a single fusion template for functional normalization. A simple wavelet-based image fusion approach is presented in order to evaluate the feasibility of combining multiple functional networks. Our results showed improvements in both the significance of group statistics (healthy control and schizophrenia patients) and the spatial extent of activation when a multiple resting-state network applied as a single fusion template for functional normalization after the conventional structural normalization. Also, our results provided evidence that the improvement in significance of group statistics lead to better accuracy results for classification of healthy controls and schizophrenia patients.

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

Singh, Varinderjit; Vadas, J.; Steinbach, T. K.

Measuring the fusion excitation function for an isotopic chain of projectile nuclei provides a stringent test of a microscopic description of fusion. We report the first measurement of the fusion excitation function at near-barrier energies for the 19O+ 12C system. The measured excitation function is compared with the fusion excitation function of 18O+ 12C. A significant enhancement in the fusion probability of 19O ions with a 12C target as compared to 18O ions is observed. As a result, the experimental cross-sections observed at near-barrier energies are compared with a state-of-the-art microscopic model.

Non-monotonic changes in clonogenic cell survival induced by disulphonated aluminum phthalocyanine photodynamic treatment in a human glioma cell line

PubMed Central

2010-01-01

Background Photodynamic therapy (PDT) involves excitation of sensitizer molecules by visible light in the presence of molecular oxygen, thereby generating reactive oxygen species (ROS) through electron/energy transfer processes. The ROS, thus produced can cause damage to both the structure and the function of the cellular constituents resulting in cell death. Our preliminary investigations of dose-response relationships in a human glioma cell line (BMG-1) showed that disulphonated aluminum phthalocyanine (AlPcS2) photodynamically induced loss of cell survival in a concentration dependent manner up to 1 μM, further increases in AlPcS2concentration (>1 μM) were, however, observed to decrease the photodynamic toxicity. Considering the fact that for most photosensitizers only monotonic dose-response (survival) relationships have been reported, this result was unexpected. The present studies were, therefore, undertaken to further investigate the concentration dependent photodynamic effects of AlPcS2. Methods Concentration-dependent cellular uptake, sub-cellular localization, proliferation and photodynamic effects of AlPcS2 were investigated in BMG-1 cells by absorbance and fluorescence measurements, image analysis, cell counting and colony forming assays, flow cytometry and micronuclei formation respectively. Results The cellular uptake as a function of extra-cellular AlPcS2 concentrations was observed to be biphasic. AlPcS2 was distributed throughout the cytoplasm with intense fluorescence in the perinuclear regions at a concentration of 1 μM, while a weak diffuse fluorescence was observed at higher concentrations. A concentration-dependent decrease in cell proliferation with accumulation of cells in G2+M phase was observed after PDT. The response of clonogenic survival after AlPcS2-PDT was non-monotonic with respect to AlPcS2 concentration. Conclusions Based on the results we conclude that concentration-dependent changes in physico-chemical properties of sensitizer such as aggregation may influence intracellular transport and localization of photosensitizer. Consequent modifications in the photodynamic induction of lesions and their repair leading to different modes of cell death may contribute to the observed non-linear effects. PMID:20433757

Study of reflection and transport in the microwave photo-excited GaAs/AlGaAs two dimensional electron system

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

Ye, Tianyu; Mani, Ramesh G.; Wegscheider, Werner

2013-12-04

We present the results of a concurrent experimental study of microwave reflection and transport in the GaAs/AlGaAs two dimensional electron gas system and correlate observed features in the reflection with the observed transport features. The experimental results are compared with expectations based on theory.

Photoinduced charge-transfer electronic excitation of tetracyanoethylene/tetramethylethylene complex in dichloromethane

NASA Astrophysics Data System (ADS)

Xu, Long-Kun; Bi, Ting-Jun; Ming, Mei-Jun; Wang, Jing-Bo; Li, Xiang-Yuan

2017-07-01

Based on the previous work on nonequilibrium solvation model by the authors, Intermolecular charge-transfer electronic excitation of tetracyanoethylene (TCE)/tetramethylethylene (TME) π -stacked complex in dichloromethane (DCM) has been investigated. For weak interaction correction, dispersion corrected functional DFT-D3 is adopted for geometry optimization. In order to identify the excitation metric, dipole moment components of each Cartesian direction, atomic charge, charge separation and Δr index are analyzed for TCE/TME complex. Calculation shows that the calculated excitation energy is dependent on the functional choice, when conjuncted with suitable time-dependent density functional, the modified nonequilibrium expression gives satisfied results for intermolecular charge-transfer electronic excitation.

Laser action in chromium-activated forsterite for near infrared excitation

NASA Technical Reports Server (NTRS)

Petricevic, V.; Gayen, S. K.; Alfano, R. R.

1988-01-01

This paper reports on laser action in chromium-doped forsterite (Cr:Mg2SiO4) for 1064-nm excitation of the crystal's double-hump absorption band spanning the 850-1200-nm wavelength range. The cavity arrangement used for obtaining laser action in Cr:Mg2SiO2 was similar to that described by Petricevic et al. (1988). The fundamental and second harmonic emissions from a Q-switched Nd:YAG laser operating at a 10-Hz repetition rate were used for excitation of the NIR and visible bands, respectively. Pulsed laser action was readily observed for both the 1064-nm and 532-nm pumping at or above the respective thresholds. The laser parameters of the 532-nm and 1064-nm excitations were similar, indicating that the IR band is responsible for laser action for both excitations.

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.

TD-CI simulation of the electronic optical response of molecules in intense fields II: comparison of DFT functionals and EOM-CCSD.

PubMed

Sonk, Jason A; Schlegel, H Bernhard

2011-10-27

Time-dependent configuration interaction (TD-CI) simulations can be used to simulate molecules in intense laser fields. TD-CI calculations use the excitation energies and transition dipoles calculated in the absence of a field. The EOM-CCSD method provides a good estimate of the field-free excited states but is rather expensive. Linear-response time-dependent density functional theory (TD-DFT) is an inexpensive alternative for computing the field-free excitation energies and transition dipoles needed for TD-CI simulations. Linear-response TD-DFT calculations were carried out with standard functionals (B3LYP, BH&HLYP, HSE2PBE (HSE03), BLYP, PBE, PW91, and TPSS) and long-range corrected functionals (LC-ωPBE, ωB97XD, CAM-B3LYP, LC-BLYP, LC-PBE, LC-PW91, and LC-TPSS). These calculations used the 6-31G(d,p) basis set augmented with three sets of diffuse sp functions on each heavy atom. Butadiene was employed as a test case, and 500 excited states were calculated with each functional. Standard functionals yield average excitation energies that are significantly lower than the EOM-CC, while long-range corrected functionals tend to produce average excitation energies slightly higher. Long-range corrected functionals also yield transition dipoles that are somewhat larger than EOM-CC on average. The TD-CI simulations were carried out with a three-cycle Gaussian pulse (ω = 0.06 au, 760 nm) with intensities up to 1.26 × 10(14) W cm(-2) directed along the vector connecting the end carbons. The nonlinear response as indicated by the residual populations of the excited states after the pulse is far too large with standard functionals, primarily because the excitation energies are too low. The LC-ωPBE, LC-PBE, LC-PW91, and LC-TPSS long-range corrected functionals produce responses comparable to EOM-CC.

The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson-Crick Pairs.

PubMed

Raeber, Alexandra E; Wong, Bryan M

2015-05-12

We present a detailed analysis of several time-dependent DFT (TD-DFT) methods, including conventional hybrid functionals and two types of nonempirically tuned range-separated functionals, for predicting a diverse set of electronic excitations in DNA nucleobase monomers and dimers. This large and extensive set of excitations comprises a total of 50 different transitions (for each tested DFT functional) that includes several n → π and π → π* valence excitations, long-range charge-transfer excitations, and extended Rydberg transitions (complete with benchmark calculations from high-level EOM-CCSD(T) methods). The presence of localized valence excitations as well as extreme long-range charge-transfer excitations in these systems poses a serious challenge for TD-DFT methods that allows us to assess the importance of both short- and long-range exchange contributions for simultaneously predicting all of these various transitions. In particular, we find that functionals that do not have both short- and full long-range exchange components are unable to predict the different types of nucleobase excitations with the same accuracy. Most importantly, the current study highlights the importance of both short-range exchange and a nonempirically tuned contribution of long-range exchange for accurately predicting the diverse excitations in these challenging nucleobase systems.

Partial cross sections of helium satellites at medium photon energies

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

Wehlitz, R.; Sellin, I.A.; Hemmers, O.

1997-04-01

Still of current interest is the important role of single ionization with excitation compared to single ionization alone. The coupling between the electrons and the incoming photon is a single-particle operator. Thus, an excitation in addition to an ionization, leading to a so-called satellite line in a photoelectron spectrum, is entirely due to electron-electron interaction and probes the electron correlation in the ground and final state. Therefore the authors have undertaken the study of the intensity of helium satellites He{sup +}nl (n = 2 - 6) relative to the main photoline (n = 1) as a function of photon energymore » at photon energies well above threshold up to 900 eV. From these results they could calculate the partial cross-sections of the helium satellites. In order to test the consistency of their satellite-to-1s ratios with published double-to-single photoionization ratios, the authors calculated the double-to-single photoionization ratio from their measured ratios using the theoretical energy-distribution curves of Chang and Poe and Le Rouzo and Dal Cappello which proved to be valid for photon energies below 120 eV. These calculated double-to-single ionization ratios agree fairly well with recent ion measurements. In the lower photon energy range the authors ratios agree better with the ratios of Doerner et al. while for higher photon energies the agreement is better with the values of Levin et al.« less

Relativistic R -matrix calculations for the electron-impact excitation of neutral molybdenum

NASA Astrophysics Data System (ADS)

Smyth, R. T.; Johnson, C. A.; Ennis, D. A.; Loch, S. D.; Ramsbottom, C. A.; Ballance, C. P.

2017-10-01

A recent PISCES-B Mod experiment [Nishijima et al., J. Phys. B 43, 225701 (2010), 10.1088/0953-4075/43/22/225701] has revealed up to a factor of 5 discrepancy between measurement and the two existing theoretical models [Badnell et al., J. Phys. B 29, 3683 (1996), 10.1088/0953-4075/29/16/014; Bartschat et al., J. Phys. B 35, 2899 (2002), 10.1088/0953-4075/35/13/305], providing important diagnostics for Mo i. In the following paper we address this issue by employing a relativistic atomic structure and R -matrix scattering calculations to improve upon the available models for future applications and benchmark results against a recent Compact Toroidal Hybrid experiment [Hartwell et al., Fusion Sci. Technol. 72, 76 (2017), 10.1080/15361055.2017.1291046]. We determine the atomic structure of Mo i using grasp0, which implements the multiconfigurational Dirac-Fock method. Fine structure energies and radiative transition rates are presented and compared to existing experimental and theoretical values. The electron-impact excitation of Mo i is investigated using the relativistic R -matrix method and the parallel versions of the Dirac atomic R -matrix codes. Electron-impact excitation cross sections are presented and compared to the few available theoretical cross sections. Throughout, our emphasis is on improving the results for the z 1,2,3o5P →a S52,z 2,3,4o7P → a S73 and y 2,3,4o7P → a S73 electric dipole transitions of particular relevance for diagnostic work.

A comparative study of highly-ionized Al plasma based on dual pulse laser-induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Khalil, A. A. I.; Younis, W. O.; Gandol, M. A.

2017-03-01

We built a collinear dual-pulse laser-induced breakdown spectroscopy (DP-LIBS) system to study the aluminum (Al) plasma emission by installing a pair of Nd: YAG lasers operating at 266 and 1064 nm. The spectral intensities of selected aluminum doubly-ionized lines were employed to evaluate the optical emission spectra. The influences of the energy ratio of two pulsed lasers on the LIBS intensity for different Al doubly-ionized spectral lines were investigated. The de-excitation rate parameters of the excited ion and the electron impact excitation were computed using the analytical formulas proposed by Smeets and Vriens. The transition probabilities and energy states were computed using Hibbert's configuration interaction, computer package (CIV3). By solving the coupled rate equations including 1 s 22 s 22 p 6n s (2S), 1 s 22 s 22 p 6n p (2P), 1 s 22 s 22 p 6n d (2D) (n = 3-5) and 1 s 22 s 22 p 6n f (2F) (n = 4, 5) states, the level population densities were computed. We also proposed a theoretical population model in order to investigate the effectiveness of the various processes that might affect the population of the upper levels in Al plasma by using the rate coefficients. In addition, the population densities for the 19 upper levels were also computed. Good compatibility between the experimental and the theoretical model data had been observed. Our results might be significant as reference data for the optimization of the DP-LIBS spectrometry and diagnostics of laser produced plasmas.

Fluorescence spectra and biological activity of aerosolized bacillus spores and MS2 bacteriophage exposed to ozone at different relative humidities in a rotating drum

NASA Astrophysics Data System (ADS)

Ratnesar-Shumate, Shanna; Pan, Yong-Le; Hill, Steven C.; Kinahan, Sean; Corson, Elizabeth; Eshbaugh, Jonathan; Santarpia, Joshua L.

2015-03-01

Biological aerosols (bioaerosols) released into the environment may undergo physical and chemical transformations when exposed to atmospheric constituents such as solar irradiation, reactive oxygenated species, ozone, free radicals, water vapor and pollutants. Aging experiments were performed in a rotating drum chamber subjecting bioaerosols, Bacillus thuringiensis Al Hakam (BtAH) spores and MS2 bacteriophages to ozone at 0 and 150 ppb, and relative humidities (RH) at 10%, 50%, and 80+%. Fluorescence spectra and intensities of the aerosols as a function of time in the reaction chamber were measured with a single particle fluorescence spectrometer (SPFS) and an Ultra-Violet Aerodynamic Particle Sizer® Spectrometer (UV-APS). Losses in biological activity were measured by culture and quantitative polymerase chain reaction (q-PCR) assay. For both types of aerosols the largest change in fluorescence emission was between 280 and 400 nm when excited at 263 nm followed by fluorescence emission between 380 and 700 nm when excited at 351 nm. The fluorescence for both BtAH and MS2 were observed to decrease significantly at high ozone concentration and high RH when excited at 263 nm excitation. The decreases in 263 nm excited fluorescence are indicative of hydrolysis and oxidation of tryptophan in the aerosols. Fluorescence measured with the UV-APS (355-nm excitation) increased with time for both BtAH and MS2 aerosols. A two log loss of MS2 bacteriophage infectivity was observed in the presence of ozone at ~50% and 80% RH when measured by culture and normalized for physical losses by q-PCR. Viability of BtAH spores after exposure could not be measured due to the loss of genomic material during experiments, suggesting degradation of extracelluar DNA attributable to oxidation. The results of these studies indicate that the physical and biological properties of bioaerosols change significantly after exposure to ozone and water vapor.

Fluorescence spectra and biological activity of aerosolized bacillus spores and MS2 bacteriophage exposed to ozone at different relative humidities in a rotating drum

DOE PAGES

Ratnesar-Shumate, Shanna; Pan, Yong-Le; Hill, Steven C.; ...

2015-10-14

Biological aerosols (bioaerosols) released into the environment may undergo physical and chemical transformations when exposed to atmospheric constituents such as solar irradiation, reactive oxygenated species, ozone, free radicals, water vapor and pollutants. Aging experiments were performed in a rotating drum chamber subjecting bioaerosols, Bacillus thuringiensis Al Hakam (BtAH) spores and MS2 bacteriophages to ozone at 0 and 150 ppb, and relative humidities (RH) at 10%, 50%, and 80+%. Fluorescence spectra and intensities of the aerosols as a function of time in the reaction chamber were measured with a single particle fluorescence spectrometer (SPFS) and an Ultra-Violet Aerodynamic Particle Sizer® Spectrometermore » (UV-APS). Losses in biological activity were measured by culture and quantitative polymerase chain reaction (q-PCR) assay. For both types of aerosols the largest change in fluorescence emission was between 280 and 400 nm when excited at 263 nm followed by fluorescence emission between 380 and 700 nm when excited at 351 nm. The fluorescence for both BtAH and MS2 were observed to decrease significantly at high ozone concentration and high RH when excited at 263 nm excitation. The decreases in 263 nm excited fluorescence are indicative of hydrolysis and oxidation of tryptophan in the aerosols. Fluorescence measured with the UV-APS (355-nm excitation) increased with time for both BtAH and MS2 aerosols. A two log loss of MS2 bacteriophage infectivity was observed in the presence of ozone at ~50% and 80% RH when measured by culture and normalized for physical losses by q-PCR. Viability of BtAH spores after exposure could not be measured due to the loss of genomic material during experiments, suggesting degradation of extracelluar DNA attributable to oxidation. The results of these studies indicate that the physical and biological properties of bioaerosols change significantly after exposure to ozone and water vapor.« less

Fluorescence spectra and biological activity of aerosolized bacillus spores and MS2 bacteriophage exposed to ozone at different relative humidities in a rotating drum

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

Ratnesar-Shumate, Shanna; Pan, Yong-Le; Hill, Steven C.

Biological aerosols (bioaerosols) released into the environment may undergo physical and chemical transformations when exposed to atmospheric constituents such as solar irradiation, reactive oxygenated species, ozone, free radicals, water vapor and pollutants. Aging experiments were performed in a rotating drum chamber subjecting bioaerosols, Bacillus thuringiensis Al Hakam (BtAH) spores and MS2 bacteriophages to ozone at 0 and 150 ppb, and relative humidities (RH) at 10%, 50%, and 80+%. Fluorescence spectra and intensities of the aerosols as a function of time in the reaction chamber were measured with a single particle fluorescence spectrometer (SPFS) and an Ultra-Violet Aerodynamic Particle Sizer® Spectrometermore » (UV-APS). Losses in biological activity were measured by culture and quantitative polymerase chain reaction (q-PCR) assay. For both types of aerosols the largest change in fluorescence emission was between 280 and 400 nm when excited at 263 nm followed by fluorescence emission between 380 and 700 nm when excited at 351 nm. The fluorescence for both BtAH and MS2 were observed to decrease significantly at high ozone concentration and high RH when excited at 263 nm excitation. The decreases in 263 nm excited fluorescence are indicative of hydrolysis and oxidation of tryptophan in the aerosols. Fluorescence measured with the UV-APS (355-nm excitation) increased with time for both BtAH and MS2 aerosols. A two log loss of MS2 bacteriophage infectivity was observed in the presence of ozone at ~50% and 80% RH when measured by culture and normalized for physical losses by q-PCR. Viability of BtAH spores after exposure could not be measured due to the loss of genomic material during experiments, suggesting degradation of extracelluar DNA attributable to oxidation. The results of these studies indicate that the physical and biological properties of bioaerosols change significantly after exposure to ozone and water vapor.« less

Statistical Thermodynamic Approach to Vibrational Solitary Waves in Acetanilide

NASA Astrophysics Data System (ADS)

Vasconcellos, Áurea R.; Mesquita, Marcus V.; Luzzi, Roberto

1998-03-01

We analyze the behavior of the macroscopic thermodynamic state of polymers, centering on acetanilide. The nonlinear equations of evolution for the populations and the statistically averaged field amplitudes of CO-stretching modes are derived. The existence of excitations of the solitary wave type is evidenced. The infrared spectrum is calculated and compared with the experimental data of Careri et al. [Phys. Rev. Lett. 51, 104 (1983)], resulting in a good agreement. We also consider the situation of a nonthermally highly excited sample, predicting the occurrence of a large increase in the lifetime of the solitary wave excitation.

Excitation of Bloch surface wave on tapered fiber coated with one-dimensional photonic crystal for refractive index sensing.

PubMed

Tu, Tianyu; Pang, Fufei; Zhu, Shan; Cheng, Jiajing; Liu, Huanhuan; Wen, Jianxiang; Wang, Tingyun

2017-04-17

We have theoretically and experimentally demonstrated a novel approach to excite Bloch surface wave (BSW) on tapered optical fibers, which are coated with one-dimensional photonic crystal (1DPC) consisting of periodic TiO₂ and Al₂O₃ by atomic layer deposition technology. Two resonant dips are found in transmission spectra that are originated from the excitation of BSW for p-polarized light and s-polarized light, respectively. For the first time, we have demonstrated the developed device for refractive index (RI) sensing.

Analysis of the geodetic residuals as differences between geodetic and sum of the atmospheric and ocean excitation of polar motion

NASA Astrophysics Data System (ADS)

Kolaczek, B.; Pasnicka, M.; Nastula, J.

2012-12-01

Up to now studies of geophysical excitation of polar motion containing AAM (Atmospheric Angular Momentum), OAM (Oceanic Angular Momentum) and HAM (Hydrological Angular Momentum) excitation functions of polar motion have not achieved the total agreement between geophysical and determined geodetic excitation (GAM, Geodetic AngularMomentum) functions of polar motion...

First principles calculations for liquids and solids using maximally localized Wannier functions

NASA Astrophysics Data System (ADS)

Swartz, Charles W., VI

The field of condensed matter computational physics has seen an explosion of applicability over the last 50+ years. Since the very first calculations with ENIAC and MANIAC the field has continued to pushed the boundaries of what is possible; from the first large-scale molecular dynamics simulation, to the implementation of Density Functional Theory and large scale Car-Parrinello molecular dynamics, to million-core turbulence calculations by Standford. These milestones represent not only technological advances but theoretical breakthroughs and algorithmic improvements as well. The work in this thesis was completed in the hopes of furthering such advancement, even by a small fraction. Here we will focus mainly on the calculation of electronic and structural properties of solids and liquids, where we shall implement a wide range of novel approaches that are both computational efficient and physically enlightening. To this end we routinely will work with maximally localized Wannier functions (MLWFs) which have recently seen a revival in mainstream scientific literature. MLWFs present us with interesting opportunity to calculate a localized orbital within the planewave formalism of atomistic simulations. Such a localization will prove to be invaluable in the construction of layer-based superlattice models, linear scaling hybrid functional schemes and model quasiparticle calculations. In the first application of MLWF we will look at modeling functional piezoelectricity in superlattices. Based on the locality principle of insulating superlattices, we apply the method of Wu et al to the piezoelectric strains of individual layers under iifixed displacement field. For a superlattice of arbitrary stacking sequence an accurate model is acquired for predicting piezoelectricity. By applying the model in the superlattices where ferroelectric and antiferrodistortive modes are in competition, functional piezoelectricity can be achieved. A strong nonlinear effect is observed and can be further engineered in the PbTiO3 /SrTiO3 superlattice and an interface enhancement of piezoelectricity is found in the BaTiO3 /CaTiO3 superlattice. The second project will look at The ionization potential distributions of hydrated hydroxide and hydronium which are computed within a many-body approach for electron excitations using configurations generated by ab initio molecular dynamics. The experimental features are well reproduced and found to be closely related to the molecular excitations. In the stable configurations, the ionization potential is mainly perturbed by solvent water molecules within the first solvation shell. On the other hand, electron excitation is delocalized on both proton receiving and donating complex during proton transfer, which shifts the excitation energies and broadens the spectra for both hydrated ions. The third project represents a work in progress, where we also make use of the previous electron excitation theory applied to ab initio x-ray emission spectroscopy. In this case we make use of a novel method to include the ultrafast core-hole electron dynamics present in such situations. At present we have shown only strong qualitative agreement with experiment.

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.

The growth of high-Al-content InAlGaN quaternary alloys by RF-MBE

NASA Astrophysics Data System (ADS)

Wang, B. Z.; Wang, X. L.; Wang, X. Y.; Guo, L. C.; Wang, X. H.; Xiao, H. L.; Liu, H. X.

2007-02-01

High-Al-content InxAlyGa1-x-yN (x = 1-10%, y = 34-45%) quaternary alloys were grown on sapphire by radio-frequency plasma-excited molecular beam epitaxy. Rutherford back-scattering spectrometry, high resolution x-ray diffraction and cathodoluminescence were used to characterize the InAlGaN alloys. The experimental results show that InAlGaN with an appropriate Al/In ratio (near 4.7, which is a lattice-match to the GaN under-layer) has better crystal and optical quality than the InAlGaN alloys whose Al/In ratios are far from 4.7. Some cracks and V-defects occur in high-Al/In-ratio InAlGaN alloys. In the CL image, the cracks and V-defect regions are the emission-enhanced regions.

Comparison of hydrological signal in polar motion excitation with those based on the FGOALS-g2 climate model

NASA Astrophysics Data System (ADS)

Wińska, Małgorzata; Nastula, Jolanta; Salstein, David

2016-04-01

Our investigations are focused on the influence of different land hydrosphere surface parameters (precipitation, evaporation, total runoff, soil moisture, accumulated snow) on polar motion excitation functions at seasonal and nonseasonal timescales. Here these different variables are obtained from the Flexible Global Ocean-Atmosphere-Land System Model, Grid point Version 2 (FGOALS-g2), which is a climate model from the fifth phase of the Coupled Model Intercomparison Project (CMIP5); with CMIP5 being composed of separate component models of the atmosphere, ocean, sea ice, and land surface. In this study Terrestrial Water Storage TWS changes were determined as: differences between the precipitation, evaporation and total surface runoff content, and as the total soil moisture content being a sum of soil moisture and snowfall flux changes. We compare the model-based data with those from estimates of the Equivalent Water Thickness determined by GRACE satellite observations from the Center for Space Research (CSR). The transfer of angular momentum from global geophysical fluids to the solid Earth is described by the equatorial components χ1 and χ2 of the polar motion excitation functions. Observationally, these so-called geodetic excitation functions of polar motion can be determined on the basis of the equations of motion by using observed x, y components of the pole. The second-degree, first-order coefficients of the Earth gravity field are proportional to variations of the equatorial component χ1, χ2 of the series of the gravimetric excitation function of polar motion. This gravimetric function can be compared with the mass term of geodetic excitation of polar motion. Our analysis comprises (1) determinations and comparisons of regional patterns of hydrological excitation functions of polar motion, and (2) comparison of the global hydrological function determined from the FGOALS-g2 and GRACE data with a hydrological signal in the geodetic excitation function of polar motion, determined as a residual geodetic and atmospheric plus oceanic excitations.

UV Raman imaging--a promising tool for astrobiology: comparative Raman studies with different excitation wavelengths on SNC Martian meteorites.

PubMed

Frosch, Torsten; Tarcea, Nicolae; Schmitt, Michael; Thiele, Hans; Langenhorst, Falko; Popp, Jürgen

2007-02-01

The great capabilities of UV Raman imaging have been demonstrated on the three Martian meteorites: Sayh al Uhaymir, Dar al Gani, and Zagami. Raman spectra without disturbing fluorescence and with high signal-to-noise-ratios and full of spectral features were derived. This result is of utmost importance for the development of powerful instruments for space missions. By point scanning the surfaces of the meteorite samples, it was possible for the first time to construct UV-Raman images out of the array of Raman spectra. Deep-UV Raman images are to the best of our knowledge presented for the first time. The images were used for a discussion of the chemical-mineralogical composition and texture of the meteorite surfaces. Comparative Raman studies applying visible and NIR Raman excitation wavelengths demonstrate a much better performance for UV Raman excitation. This comparative study of different Raman excitation wavelengths at the same sample spots was done by constructing a versatile, robust sample holder with a fixed micro-raster. The overall advantages of UV resonance Raman spectroscopy in terms of sensitivity and selectivity are demonstrated and discussed. Finally the application of this new technique for a UV Raman instrument for envisaged astrobiological focused space missions is suggested.

Energy dependence of polarization across broad deexcitation gamma-ray line profiles

NASA Astrophysics Data System (ADS)

Werntz, Carl; Lang, F. L.

1998-04-01

The energy profiles of deexcitation gamma-ray lines from recoiling inelastically scattered nuclei exhibit detailed structure. MeV-wide gamma-ray lines from the direction of the Orion nebula have been detected (H. Bloemen, et al., Astr. and Astrophys. L5, 281 (1994).) by COMPTEL whose source is postulated to be cosmic ray carbon and oxygen nuclei shock accelerated near supernova remnants colliding with ambient hydrogen and helium. Even when the heavy ion velocity distributions are isotropic, structure characteristic of the multipolarity of the gamma transition remains (A. M. Bykov et al, Astr. and Astrophys. 607, L37 (1996); B. Kozlovsky et al, Astrophys. J. 484, (1997).). In experiments in which the energy dependent structure of the deexcitation gamma-ray profiles is not resolved, the gammas display a high degree of linear polarization that rapidly changes with gamma-beam angle. We calculate the polarization, both linear and circular, as a function of gamma-ray energy across the laboratory line profiles of C12*(4.44) and O16*(6.13) inelastically excited by protons and alphas. We then investigate the polarization in the surviving structures for isotropic energetic ions colliding with ^1H and ^4He.

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.

Fusion enhancement at near and sub-barrier energies in 19O + 12C

DOE PAGES

Singh, Varinderjit; Vadas, J.; Steinbach, T. K.; ...

2016-12-12

Measuring the fusion excitation function for an isotopic chain of projectile nuclei provides a stringent test of a microscopic description of fusion. We report the first measurement of the fusion excitation function at near-barrier energies for the 19O+ 12C system. The measured excitation function is compared with the fusion excitation function of 18O+ 12C. A significant enhancement in the fusion probability of 19O ions with a 12C target as compared to 18O ions is observed. As a result, the experimental cross-sections observed at near-barrier energies are compared with a state-of-the-art microscopic model.

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.

Temperature Dependent Mechanical Property of PZT Film: An Investigation by Nanoindentation

PubMed Central

Li, Yingwei; Feng, Shangming; Wu, Wenping; Li, Faxin

2015-01-01

Load-depth curves of an unpoled Lead Zirconate Titanate (PZT) film composite as a function of temperature were measured by nanoindentation technique. Its reduce modulus and hardness were calculated by the typical Oliver-Pharr method. Then the true modulus and hardness of the PZT film were assessed by decoupling the influence of substrate using methods proposed by Zhou et al. and Korsunsky et al., respectively. Results show that the indentation depth and modulus increase, but the hardness decreases at elevated temperature. The increasing of indentation depth and the decreasing of hardness are thought to be caused by the decreasing of the critical stress needed to excite dislocation initiation at high temperature. The increasing of true modulus is attributed to the reducing of recoverable indentation depth induced by back-switched domains. The influence of residual stress on the indentation behavior of PZT film composite was also investigated by measuring its load-depth curves with pre-load strains. PMID:25768957

Excitation energies from range-separated time-dependent density and density matrix functional theory.

PubMed

Pernal, Katarzyna

2012-05-14

Time-dependent density functional theory (TD-DFT) in the adiabatic formulation exhibits known failures when applied to predicting excitation energies. One of them is the lack of the doubly excited configurations. On the other hand, the time-dependent theory based on a one-electron reduced density matrix functional (time-dependent density matrix functional theory, TD-DMFT) has proven accurate in determining single and double excitations of H(2) molecule if the exact functional is employed in the adiabatic approximation. We propose a new approach for computing excited state energies that relies on functionals of electron density and one-electron reduced density matrix, where the latter is applied in the long-range region of electron-electron interactions. A similar approach has been recently successfully employed in predicting ground state potential energy curves of diatomic molecules even in the dissociation limit, where static correlation effects are dominating. In the paper, a time-dependent functional theory based on the range-separation of electronic interaction operator is rigorously formulated. To turn the approach into a practical scheme the adiabatic approximation is proposed for the short- and long-range components of the coupling matrix present in the linear response equations. In the end, the problem of finding excitation energies is turned into an eigenproblem for a symmetric matrix. Assignment of obtained excitations is discussed and it is shown how to identify double excitations from the analysis of approximate transition density matrix elements. The proposed method used with the short-range local density approximation (srLDA) and the long-range Buijse-Baerends density matrix functional (lrBB) is applied to H(2) molecule (at equilibrium geometry and in the dissociation limit) and to Be atom. The method accounts for double excitations in the investigated systems but, unfortunately, the accuracy of some of them is poor. The quality of the other excitations is in general much better than that offered by TD-DFT-LDA or TD-DMFT-BB approximations if the range-separation parameter is properly chosen. The latter remains an open problem.

Dual color microscopic imagery of cells expressing the green fluorescent protein and a red-shifted variant.

PubMed

Yang, T T; Kain, S R; Kitts, P; Kondepudi, A; Yang, M M; Youvan, D C

1996-01-01

The green fluorescent protein (GFP) from the jellyfish, Aequorea victoria, has become a versatile reporter for monitoring gene expression and protein localization in a variety of cells and organisms. GFP emits bright green light (lambda max = 510 nm) when excited with ultraviolet (UV) or blue light (lambda max = 395 nm, minor peak at 470 nm). The chromophore in GFP is intrinsic to the primary structure of the protein, and fluorescence from GFP does not require additional gene products, substrates or other factors. GFP fluorescence is stable, species-independent and can be monitored noninvasively using the techniques of fluorescence microscopy and flow cytometry [Chalfie et al., Science 263 (1994) 802-805; Stearns, Curr. Biol. 5 (1995) 262-264]. The protein appears to undergo an autocatalytic reaction to create the fluorophore [Heim et al., Proc. Natl. Acad. Sci. USA 91 (1994) 12501-12504] in a process involving cyclization of a Tyr66 aa residue. Recently [Delagrave et al., Bio/Technology 13 (1995) 151-154], a combinatorial mutagenic strategy was targeted at aa 64 through 69, which spans the chromophore of A. victoria GFP, yielding a number of different mutants with red-shifted fluorescence excitation spectra. One of these, RSGFP4, retains the characteristic green emission spectra (lambda max = 505 nm), but has a single excitation peak (lambda max = 490 nm). The fluorescence properties of RSGFP4 are similar to those of another naturally occurring GFP from the sea pansy, Renilla reniformis [Ward and Cormier, Photobiochem. Photobiol. 27 (1978) 389-396]. In the present study, we demonstrate by fluorescence microscopy that selective excitation of A. victoria GFP and RSGFP4 allows for spectral separation of each fluorescent signal, and provides the means to image these signals independently in a mixed population of bacteria or mammalian cells.

Transition and Electron Impact Excitation Collision Rates for O III

NASA Astrophysics Data System (ADS)

Tayal, S. S.; Zatsarinny, O.

2017-12-01

Transition probabilities, electron excitation collision strengths, and rate coefficients for a large number of O III lines over a broad wavelength range, from the infrared to ultraviolet, have been reported. The collision strengths have been calculated in the close-coupling approximation using the B-spline Breit-Pauli R-matrix method. The multiconfiguration Hartree-Fock method in combination with B-spline expansions is employed for an accurate representation of the target wave functions. The close-coupling expansion contains 202 O2+ fine-structure levels of the 2{s}22{p}2,2s2{p}3, 2{p}4,2{s}22p3s,3p,3d, 4s,4p,4d,4f,5s, and 2s2{p}33s,3p,3d configurations. The effective collision strengths are obtained by averaging electron excitation collision strengths over a Maxwellian distribution of velocities at electron temperatures ranging from 100 to 100,000 K. The calculated effective collision strengths have been reported for the 20,302 transitions between all 202 fine-structure levels. There is an overall good agreement with the recent R-matrix calculations by Storey et al. for the transitions between all levels of the ground 2{s}22{p}2 configuration, but significant discrepancies have been found with Palay et al. for transitions to the 2{s}22{p}2 1 S 0 level. Line intensity ratios between the optical lines arising from the 2{s}22{p}2{}3{P}{0,1,2} - 1 D 2 transitions have been compared with other calculations and observations from the photoionized gaseous nebulae, and good agreement is found. The present calculations provide the most complete and accurate data sets, which should allow a more detailed treatment of the available measured spectra from different ground and space observatories.

Calculation of total electron excitation cross-sections and partial electron ionization cross-sections for the elements. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Green, T. J.

1973-01-01

Computer programs were used to calculate the total electron excitation cross-section for atoms and the partial ionization cross-section. The approximations to the scattering amplitude used are as follows: (1) Born, Bethe, and Modified Bethe for non-exchange excitation; (2) Ochkur for exchange excitation; and (3) Coulomb-Born of non-exchange ionization. The amplitudes are related to the differential cross-sections which are integrated to give the total excitation (or partial ionization) cross-section for the collision. The atomic wave functions used are Hartree-Fock-Slater functions for bound states and the coulomb wave function for the continuum. The programs are presented and the results are examined.

Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene.

PubMed

Plasser, Felix; Mewes, Stefanie A; Dreuw, Andreas; González, Leticia

2017-11-14

High-level multireference computations on electronically excited and charged states of tetracene are performed, and the results are analyzed using an extensive wave function analysis toolbox that has been newly implemented in the Molcas program package. Aside from verifying the strong effect of dynamic correlation, this study reveals an unexpected critical influence of the atomic orbital basis set. It is shown that different polarized double-ζ basis sets produce significantly different results for energies, densities, and overall wave functions, with the best performance obtained for the atomic natural orbital (ANO) basis set by Pierloot et al. Strikingly, the ANO basis set not only reproduces the energies but also performs exceptionally well in terms of describing the diffuseness of the different states and of their attachment/detachment densities. This study, thus, not only underlines the fact that diffuse basis functions are needed for an accurate description of the electronic wave functions but also shows that, at least for the present example, it is enough to include them implicitly in the contraction scheme.

Spectrometric Studies of Selected Nitrocompounds Using Laser-Induced Photofragmentation/Photoionization at 193 nm.

DTIC Science & Technology

1994-11-01

Hohmann, and Wehry (1987); Lee et al. (1992); Sausa, Alfano , and Miziolek (1987); Clark et al. (1992); Marshall et al. (1992); Oldenborg and Baughcum...enhanced excitation process of the metastable carbon atom via its well-known (Sausa, Alfano , and Miziolek 1987; D6bele and RUckle 1982, 1992) (2p3s 1P...Davis. Applied Optics, vol. 19, p. 3597, 1980. Sausa, R. C., A. J. Alfano , and A. W. Miziolek. Applied Optics, vol. 26, p. 3588, 1987. 15 Schendel, J

CANOES II; Dynamics of Atmospheric Infrared Thermochemical Excitation. Volume 2

DTIC Science & Technology

1989-03-01

similar modeling effort by Richards et al. 2 concluded that Frederick and Rusch underestimated N(2D) production rates and revised their value upwards...agreement with Richards et al.’s 2 model-derived value is acceptable. The major disagreement with the recent results of Jusinski et al. 9 indi- cates...J.P., "NO Infrared Radiation in the Upper Atmosphere," Planet. Space Sci. 30, 1043 (1982). 2. Richards , P.G., Torr, D.G., and Torr, M.R

Symposium on Nondestructive Evaluation Held in San Antonio, Texas on 17- 20 April 1989

DTIC Science & Technology

1989-04-01

crack-tip diffraction started from work ous orientations (tilt and skew angle) by B6ttcher et al (5 ) where diffracted and shapes (aspect ratio...Zr-Nb al - cludes optimizing the method to obtain loy. Hence, deviations from these re- the best accuracy of the depth calcu- sults with our...20 MHz), and damping. Mastroianni et al (17 ) have performed crack-tip diffraction studies on The main-bang pulse excites the trans- notches 2.5 mm

Excitation of surface plasmons in Al-coated SNOM tips

NASA Astrophysics Data System (ADS)

Palm, Viktor; Rähn, Mihkel; Jäme, Joonas; Hizhnyakov, Vladimir

2012-10-01

The mesoscopic effect of spectral modulation occurring due to the interference of two photonic fiber modes filtered out by a metal-coated SNOM tip is used to observe the surface plasmon polariton (SPP) excitation in SNOM tips. In a spectrum of the broadband light transmitted by a SNOM tip a region of highly regular spectral modulation can be found, indicating the spectral interval in which only two photonic modes (apparently HE11 and TM01) are transmitted with significant and comparable amplitudes. The modulation period yields the value of optical path difference (OPD) for this pair of modes. Due to the multimode fiber's inherent modal dispersion, this OPD value depends linearly on the fiber tail length l. An additional contribution to OPD can be generated in a metal-coated SNOM tip due to a mode-dependent photon-plasmon coupling strength resulting in generation of SPPs with different propagation velocities. For an Al-coated 200 nm SNOM tip spectra of transmitted light have been registered for ten different l values. An extrapolation of the linear OPD (l) dependence to l=0 yields a significant residual OPD value, indicating according to our theoretical considerations a mode-selective SPP excitation in the metal-coated tip. The modal dispersion is shown to switch its sign in the SNOM tip. First results of analogous experiments with an Al-coated 150 nm SNOM tip confirm our conclusions.

Temperature dependent optical properties of single, hierarchically self-assembled GaAs/AlGaAs quantum dots

PubMed Central

Rastelli, A; Schmidt, OG; Ulrich, SM; Michler, P

2006-01-01

We report on the experimental observation of bright photoluminescence emission at room temperature from single unstrained GaAs quantum dots (QDs). The linewidth of a single-QD ground-state emission (≈ 8.5 meV) is comparable to the ensemble inhomogeneous broadening (≈ 12.4 meV). At low temperature (T ≤ 40 K) photon correlation measurements under continuous wave excitation show nearly perfect single-photon emission from a single GaAs QD and reveal the single photon nature of the emitted light up to 77 K. The QD emission energies, homogeneous linewidths and the thermally activated behavior as a function of temperature are discussed.

Time-resolved photoluminescence characterization of GaAs nanowire arrays on native substrate

NASA Astrophysics Data System (ADS)

Dagytė, Vilgailė; Barrigón, Enrique; Zhang, Wei; Zeng, Xulu; Heurlin, Magnus; Otnes, Gaute; Anttu, Nicklas; Borgström, Magnus T.

2017-12-01

Time-resolved photoluminescence (TRPL) measurements of nanowires (NWs) are often carried out on broken-off NWs in order to avoid the ensemble effects as well as substrate contribution. However, the development of NW-array solar cells could benefit from non-destructive optical characterization to allow faster feedback and further device processing. With this work, we show that different NW array and substrate spectral behaviors with delay time and excitation power can be used to determine which part of the sample dominates the detected spectrum. Here, we evaluate TRPL characterization of dense periodic as-grown GaAs NW arrays on a p-type GaAs substrate, including a sample with uncapped GaAs NWs and several samples passivated with AlGaAs radial shell of varied composition and thickness. We observe a strong spectral overlap of substrate and NW signals and find that the NWs can absorb part of the substrate luminescence signal, thus resulting in a modified substrate signal. The level of absorption depends on the NW-array geometry, making a deconvolution of the NW signal very difficult. By studying TRPL of substrate-only and as-grown NWs at 770 and 400 nm excitation wavelengths, we find a difference in spectral behavior with delay time and excitation power that can be used to assess whether the signal is dominated by the NWs. We find that the NW signal dominates with 400 nm excitation wavelength, where we observe two different types of excitation power dependence for the NWs capped with high and low Al composition shells. Finally, from the excitation power dependence of the peak TRPL signal, we extract an estimate of background carrier concentration in the NWs.

Energy of the ground and 2{sup +} excited states of {sub {lambda}}{sub {lambda}}{sup 10}Be: A partial ten-body model

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

Shoeb, Mohammad; Sonika

2009-08-15

The energies of the ground and excited 2{sup +} states of {sub {lambda}}{sub {lambda}}{sup 10}Be have been calculated variationally in the Monte Carlo framework. The hypernucleus is treated as a partial ten-body problem in the {lambda}{lambda}+{alpha}{alpha} model where nucleonic degrees of freedom of {alpha}'s are taken into consideration ignoring the antisymmetrization between two {alpha}'s. The central two-body {lambda}N and {lambda}{lambda} and the three-body dispersive and two-pion exchange {lambda}NN forces, constrained by the {lambda}p scattering data and the observed ground state energies of {sub {lambda}}{sup 5}He and {sub {lambda}}{sub {lambda}}{sup 6}He, are employed. The product-type trial wave function predicts binding energymore » for the ground state considerably less than for the event reported by Danysz et al.; however, it is consistent with the value deduced assuming a {gamma} ray of 3.04 MeV must have escaped undetected in the decay of the product {sub {lambda}}{sup 9}Be* {yields} {sub {lambda}}{sup 9}Be+{gamma} of the emulsion event {sub {lambda}}{sub {lambda}}{sup 10}Be{yields} {pi}{sup -}+p+{sub {lambda}}{sup 9}Be* and for the excited 2{sup +} state closer to the value measured in the Demachi-Yanagi event. The hypernucleus {sub {lambda}}{sub {lambda}}{sup 10}Be has an oblate shape in the excited state. These results are consistent with the earlier four-body {alpha} cluster model approach where {alpha}'s are assumed to be structureless entities.« less

Tunable emission in Ln3+ (Ce3+/Dy3+, Ce3+/Tb3+) doped KNa3Al4Si4O16 phosphor synthesized by combustion method

NASA Astrophysics Data System (ADS)

Kolte, M. M.; Pawade, V. B.; Bhattacharya, A. B.; Dhoble, S. J.

2018-05-01

Ln3+ (Ln = Ce3+/Dy3+, Ce3+/Tb3+) doped KNa3Al4Si4O16 phosphor has been synthesized by Combustion method (CS) at 550° C successfully. Ln3+ (Ln = Ce3+, Dy3+, Tb3+) ions when doped in KNa3Al4Si4O16 host lattice, it shows blue and green emission band under the near Ultraviolet (NUV) excitation wavelength. The Photoluminescence excitation (PLE) and emission spectra are observed due to f-f and d-f transition of rare earth ions. Also, an effective energy transfer (ET) study from Ce3+ → Dy3+ and Ce3+ → Tb3+ ions has been studied and confirmed on the basis of Dexter-Foster theory. Further synthesized phosphor is well characterized by XRD, SEM, TEM and decay time measurement. However, the analysis of crystallite size, lattice strain has been studied by using theoretical as well as experimental techniques. Hence, the observed tunable emission in Ln3+ doped KNa3Al4Si4O16 phosphor may be applicable for solid state lighting technology.

Constraining the rp-process by measuring 23Al(d,n)24Si with GRETINA and LENDA at NSCL

NASA Astrophysics Data System (ADS)

Wolf, Clemens; Langer, Christoph; Montes, Fernando; Pereira, Jorge; Ahn, Sunghoon; Ayoub, Sara; Bazin, Daniel; Bender, Peter; Brown, Alex; Browne, Justin; Crawford, Heather; Deleeuw, Eric; Elman, Brandon; Fiebiger, Stefan; Gade, Alexandra; Gastis, Panagiotis; Lipschutz, Samuel; Longfellow, Brenden; Nunes, Filomena; Ong, Wei-Jia; Poxon-Pearson, Terri; Perdikakis, Georgios; Reifarth, René; Schatz, Hendrik; Schmidt, Konrad; Schmitt, Jaclyn; Sullivan, Chris; Titus, Rachel; Weisshaar, Dirk; Woods, Philip; Zamora, Juan Carlos; G. T. Zegers, Remco

2018-01-01

The 23Al(p, γ)24Si stellar reaction rate has a significant impact on the light-curve emitted in X-ray bursts. Theoretical calculations show that the reaction rate is mainly determined by the properties of direct capture as well as low-lying 2+ states and a possible 4+ state in 24Si. Currently, there is little experimental information on the properties of these states. In this proceeding we will present a new experimental study to investigate this reaction, using the surrogate reaction 23Al(d,n) at 47 AMeV at the National Superconducting Cyclotron Laboratory (NSCL). We will discuss our new experimental setup which allows us to use full kinematics employing the Gamma-Ray Energy Tracking In-beam Nuclear Array (GRETINA) to detect the γ-rays following the de-excitation of excited states of the reaction products and the Low Energy Neutron Detector Array (LENDA) to detect the recoiling neutrons. The S800 was used for identification of the 24Si recoils. As a proof of principle to show the feasibility of this concept the Q-value spectrum of 22Mg(d,n)23Al is reconstructed.

Magnetic and structural instabilities in CePd 2Al 2 and LaPd 2Al 2

NASA Astrophysics Data System (ADS)

Chapon, L. C.; Goremychkin, E. A.; Osborn, R.; Rainford, B. D.; Short, S.

2006-05-01

We have investigated the crystal and magnetic structure of the RPd 2Al 2 compounds (R=La, Ce) by neutron powder diffraction (ND) and inelastic neutron scattering (INS). The ND study shows that both compounds undergo a structural phase transition from tetragonal to orthorhombic symmetry at 91.5 K (La) and 13.5 K (Ce). In the case of CePd 2Al 2 the crystal field excitation spectrum, which has an extra peak that cannot be explained by a standard crystal field model, indicates the presence of strong magneto-elastic coupling.

Effect of cation size at Gd and Al site on ce energy levels in Gd3(GaAl)5O12 sintered pellets

NASA Astrophysics Data System (ADS)

Tyagi, Mohit; Meng, Fang; Darby, Kaitlyn; Koschan, Merry; Melcher, C. L.

2013-02-01

Radioluminescence and reflectivity measurements performed on sintered powder pellets of garnet compositions R3GaxAl5-xO12 (where R: Lu, Gd, Sc, Y) have shown that replacing "R" in these compositions with ions of larger radius shifts the excited 5d states of Ce to lower energy, while increased ionic radius at Ga/Al sites shifts these levels to higher energy. Stokes shifts were also calculated and results were verified by comparing the performance of the pellets with that of single crystals.

Bidirectional tornado modes on the Joint European Torus

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

Sandquist, P.; Sharapov, S. E.; Lisak, M.

In discharges on the Joint European Torus [P. H. Rebut and B. E. Keen, Fusion Technol. 11, 13 (1987)] with safety factor q(0)<1 and high-power ion cyclotron resonance heating (ICRH), monster sawtooth crashes are preceded by frequency sweeping 'tornado modes' in the toroidal Alfven eigenmode frequency range. A suite of equilibrium and spectral magnetohydrodynamical codes is used for explaining the observed evolution of the tornado mode frequency and for identifying temporal evolution of the safety factor inside the q=1 radius just before sawtooth crashes. In some cases, the tornado modes are observed simultaneously with both positive and negative toroidal modemore » numbers. Hence, a free energy source other than the radial gradient of the energetic ion pressure exciting these modes is sought. The distribution function of the ICRH-accelerated ions is assessed with the SELFO code [J. Hedin et al., Nucl. Fusion 42, 527 (2002)] and energetic particle drive due to the velocity space anisotropy of ICRH-accelerated ions is considered analytically as the possible source for excitation of bidirectional tornado modes.« less

Quantitative structural modeling on the wavelength interval (Δλ) in synchronous fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Samari, Fayezeh; Yousefinejad, Saeed

2017-11-01

Emission fluorescence spectroscopy has an extremely restricted scope of application to analyze of complex mixtures since its selectivity is reduced by the extensive spectral overlap. Synchronous fluorescence spectroscopy (SFS) is a technique enables us to analyze complex mixtures with overlapped emission and/or excitation spectra. The difference of excitation and emission wavelength of compounds (interval wavelength or Δλ) is an important characteristic in SFS. Thus a multi-parameter model was constructed to predict Δλ in 63 fluorescent compounds and the regression coefficient in training set, cross validation and test set were 0.88, 0.85 and 0.91 respectively. Furthermore, the applicability and validity of model were evaluated using different statistical methods such as y-scrambling and applicability domain. It was concluded that increasing average valence connectivity, number of Al2-NH functional group and Geary autocorrelation (lag 4) with electronegative weights can lead to increasing Δλ in the fluorescent compounds. The current study obtained an insight into the structural properties of compounds effective on their Δλ as an important parameter in SFS.

Characterization of Different Types of Excitability in Large Somatosensory Neurons and Its Plastic Changes in Pathological Pain States

PubMed Central

Xie, Rou-Gang; Chu, Wen-Guang; Hu, San-Jue; Luo, Ceng

2018-01-01

Sensory neuron types have been distinguished by distinct morphological and transcriptional characteristics. Excitability is the most fundamental functional feature of neurons. Mathematical models described by Hodgkin have revealed three types of neuronal excitability based on the relationship between firing frequency and applied current intensity. However, whether natural sensory neurons display different functional characteristics in terms of excitability and whether this excitability type undergoes plastic changes under pathological pain states have remained elusive. Here, by utilizing whole-cell patch clamp recordings, behavioral and pharmacological assays, we demonstrated that large dorsal root ganglion (DRG) neurons can be classified into three classes and four subclasses based on their excitability patterns, which is similar to mathematical models raised by Hodgkin. Analysis of hyperpolarization-activated cation current (Ih) revealed different magnitude of Ih in different excitability types of large DRG neurons, with higher Ih in Class 2-1 than that in Class 1, 2-2 and 3. This indicates a crucial role of Ih in the determination of excitability type of large DRG neurons. More importantly, this pattern of excitability displays plastic changes and transition under pathological pain states caused by peripheral nerve injury. This study sheds new light on the functional characteristics of large DRG neurons and extends functional classification of large DRG neurons by integration of transcriptomic and morphological characteristics. PMID:29303989

Coulomb Excitation of 78,80Se and the radioactive 84Se (N = 50) isotopes

NASA Astrophysics Data System (ADS)

Galindo-Uribarri, A.; Padilla-Rodal, E.; Garcia-Ruiz, R. F.; Allmond, J. M.; Batchelder, J. C.; Beene, J. R.; Lagergren, K. B.; Mueller, P. E.; Radford, D. C.; Stracener, D. W.; Urrego-Blanco, J. P.; Varner, R. L.; Yu, C.-H.

2011-10-01

Coulomb excitation is a purely electromagnetic excitation process of nuclear states due to the Coulomb field of two colliding nuclei. It is a very precise tool to measure excitation probabilities and provide insight on the collectivity of nuclear excitations and in particular on nuclear shapes. We have measured the B(E2) value of various nuclei in the mass A ~ 80 region using particle-gamma coincidences with the HyBall and Clarion arrays at HRIBF. The Coulomb excitation of various projectile-target combinations (ASe on 12C, 24Mg, 27Al and 50Ti) allow the use of consistency cross checks and the systematic study of isotopic and isotonic chains using both stable and radioactive nuclei under almost identical experimental conditions.We present new results for 78Se, 80Se and the radioactive nucleus 84Se (N = 50). Research sponsored by the Office of Nuclear Physics, U.S. Department of Energy and CONACyT Grant 103366.

Full Waveform 2.5D Teleseismic Surface Wave Tomography with Application to the Tien Shan

NASA Astrophysics Data System (ADS)

Roecker, S. W.; Priestley, K. F.; Baker, B. I.

2011-12-01

We adapt the 2.5D spectral domain finite difference waveform tomography algorithm of Roecker et al. (2010) to permit the analysis of teleseismically recorded surface waves. The teleseismic body wave technique of generating synthetic waveforms by specifying an analytic solution for a background wavefield in a 1D model and solving for a scattered field excited by this background is equally applicable to surface waves. We use the locked mode approach of Gomberg and Masters (1988) to calculate the background Greens functions at each point of the finite difference (FD) grid. Because of the much greater concentration of energy at the surface, we adopt the cell-based FD operators of Min et al. (2004) to calculate the free surface boundary conditions, and the generalized stretching function of Komatitch and Martin (2007) to improve the absorption in the PML. We use this algorithm to analyze broad band seismograms of events in Sumatra recorded by the MANAS array in the Tien Shan. Our results show that the upper mantle beneath much of the central Tien Shan has shear wavespeeds at least 10% lower than the lithosphere beneath the Tarim basin to the south or the Kazach shield to the north. At the same time, there appears to be a remnant lithospheric lid beneath the Kyrgyz range in the north, an observation consistent with previous receiver function studies in this area.

Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.

PubMed

van Meer, R; Gritsenko, O V; Baerends, E J

2014-10-14

In recent years, several benchmark studies on the performance of large sets of functionals in time-dependent density functional theory (TDDFT) calculations of excitation energies have been performed. The tested functionals do not approximate exact Kohn-Sham orbitals and orbital energies closely. We highlight the advantages of (close to) exact Kohn-Sham orbitals and orbital energies for a simple description, very often as just a single orbital-to-orbital transition, of molecular excitations. Benchmark calculations are performed for the statistical average of orbital potentials (SAOP) functional for the potential [J. Chem. Phys. 2000, 112, 1344; 2001, 114, 652], which approximates the true Kohn-Sham potential much better than LDA, GGA, mGGA, and hybrid potentials do. An accurate Kohn-Sham potential does not only perform satisfactorily for calculated vertical excitation energies of both valence and Rydberg transitions but also exhibits appealing properties of the KS orbitals including occupied orbital energies close to ionization energies, virtual-occupied orbital energy gaps very close to excitation energies, realistic shapes of virtual orbitals, leading to straightforward interpretation of most excitations as single orbital transitions. We stress that such advantages are completely lost in time-dependent Hartree-Fock and partly in hybrid approaches. Many excitations and excitation energies calculated with local density, generalized gradient, and hybrid functionals are spurious. There is, with an accurate KS, or even the LDA or GGA potentials, nothing problematic about the "band gap" in molecules: the HOMO-LUMO gap is close to the first excitation energy (the optical gap).

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

Nenov, Artur, E-mail: Artur.Nenov@unibo.it; Giussani, Angelo; Segarra-Martí, Javier

Pump-probe electronic spectroscopy using femtosecond laser pulses has evolved into a standard tool for tracking ultrafast excited state dynamics. Its two-dimensional (2D) counterpart is becoming an increasingly available and promising technique for resolving many of the limitations of pump-probe caused by spectral congestion. The ability to simulate pump-probe and 2D spectra from ab initio computations would allow one to link mechanistic observables like molecular motions and the making/breaking of chemical bonds to experimental observables like excited state lifetimes and quantum yields. From a theoretical standpoint, the characterization of the electronic transitions in the visible (Vis)/ultraviolet (UV), which are excited viamore » the interaction of a molecular system with the incoming pump/probe pulses, translates into the determination of a computationally challenging number of excited states (going over 100) even for small/medium sized systems. A protocol is therefore required to evaluate the fluctuations of spectral properties like transition energies and dipole moments as a function of the computational parameters and to estimate the effect of these fluctuations on the transient spectral appearance. In the present contribution such a protocol is presented within the framework of complete and restricted active space self-consistent field theory and its second-order perturbation theory extensions. The electronic excited states of adenine have been carefully characterized through a previously presented computational recipe [Nenov et al., Comput. Theor. Chem. 1040–1041, 295-303 (2014)]. A wise reduction of the level of theory has then been performed in order to obtain a computationally less demanding approach that is still able to reproduce the characteristic features of the reference data. Foreseeing the potentiality of 2D electronic spectroscopy to track polynucleotide ground and excited state dynamics, and in particular its expected ability to provide conformational dependent fingerprints in dimeric systems, the performances of the selected reduced level of calculations have been tested in the construction of 2D electronic spectra for the in vacuo adenine monomer and the unstacked adenine homodimer, thereby exciting the L{sub b}/L{sub a} transitions with the pump pulse pair and probing in the Vis to near ultraviolet spectral window.« less

Non-linear blend coding in the moth antennal lobe emerges from random glomerular networks

PubMed Central

Capurro, Alberto; Baroni, Fabiano; Olsson, Shannon B.; Kuebler, Linda S.; Karout, Salah; Hansson, Bill S.; Pearce, Timothy C.

2012-01-01

Neural responses to odor blends often exhibit non-linear interactions to blend components. The first olfactory processing center in insects, the antennal lobe (AL), exhibits a complex network connectivity. We attempt to determine if non-linear blend interactions can arise purely as a function of the AL network connectivity itself, without necessitating additional factors such as competitive ligand binding at the periphery or intrinsic cellular properties. To assess this, we compared blend interactions among responses from single neurons recorded intracellularly in the AL of the moth Manduca sexta with those generated using a population-based computational model constructed from the morphologically based connectivity pattern of projection neurons (PNs) and local interneurons (LNs) with randomized connection probabilities from which we excluded detailed intrinsic neuronal properties. The model accurately predicted most of the proportions of blend interaction types observed in the physiological data. Our simulations also indicate that input from LNs is important in establishing both the type of blend interaction and the nature of the neuronal response (excitation or inhibition) exhibited by AL neurons. For LNs, the only input that significantly impacted the blend interaction type was received from other LNs, while for PNs the input from olfactory sensory neurons and other PNs contributed agonistically with the LN input to shape the AL output. Our results demonstrate that non-linear blend interactions can be a natural consequence of AL connectivity, and highlight the importance of lateral inhibition as a key feature of blend coding to be addressed in future experimental and computational studies. PMID:22529799

Evidence for the confinement of magnetic monopoles in quantum spin ice.

PubMed

Sarte, P M; Aczel, A A; Ehlers, G; Stock, C; Gaulin, B D; Mauws, C; Stone, M B; Calder, S; Nagler, S E; Hollett, J W; Zhou, H D; Gardner, J S; Attfield, J P; Wiebe, C R

2017-10-19

Magnetic monopoles are hypothesised elementary particles connected by Dirac strings that behave like infinitely thin solenoids (Dirac 1931 Proc. R. Soc. A 133 60). Despite decades of searching, free magnetic monopoles and their Dirac strings have eluded experimental detection, although there is substantial evidence for deconfined magnetic monopole quasiparticles in spin ice materials (Castelnovo et al 2008 Nature 326 411). Here we report the detection of a hierarchy of unequally-spaced magnetic excitations via high resolution inelastic neutron spectroscopic measurements on the quantum spin ice candidate [Formula: see text] [Formula: see text] [Formula: see text]. These excitations are well-described by a simple model of monopole pairs bound by a linear potential (Coldea et al Science 327 177) with an effective tension of 0.642(8) K [Formula: see text] at 1.65 K. The success of the linear potential model suggests that these low energy magnetic excitations are direct spectroscopic evidence for the confinement of magnetic monopole quasiparticles in the quantum spin ice candidate [Formula: see text] [Formula: see text] [Formula: see text].

Wave excitations of drifting two-dimensional electron gas under strong inelastic scattering

NASA Astrophysics Data System (ADS)

Korotyeyev, V. V.; Kochelap, V. A.; Varani, L.

2012-10-01

We have analyzed low-temperature behavior of two-dimensional electron gas in polar heterostructures subjected to a high electric field. When the optical phonon emission is the fastest relaxation process, we have found existence of collective wave-like excitations of the electrons. These wave-like excitations are periodic in time oscillations of the electrons in both real and momentum spaces. The excitation spectra are of multi-branch character with considerable spatial dispersion. There are one acoustic-type and a number of optical-type branches of the spectra. Their small damping is caused by quasi-elastic scattering of the electrons and formation of relevant space charge. Also there exist waves with zero frequency and finite spatial periods—the standing waves. The found excitations of the electron gas can be interpreted as synchronous in time and real space manifestation of well-known optical-phonon-transient-time-resonance. Estimates of parameters of the excitations for two polar heterostructures, GaN/AlGaN and ZnO/MgZnO, have shown that excitation frequencies are in THz-frequency range, while standing wave periods are in sub-micrometer region.

Ultrafast Photodetection in the Quantum Wells of Single AlGaAs/GaAs-Based Nanowires.

PubMed

Erhard, N; Zenger, S; Morkötter, S; Rudolph, D; Weiss, M; Krenner, H J; Karl, H; Abstreiter, G; Finley, J J; Koblmüller, G; Holleitner, A W

2015-10-14

We investigate the ultrafast optoelectronic properties of single Al0.3Ga0.7As/GaAs core-shell nanowires. The nanowires contain GaAs-based quantum wells. For a resonant excitation of the quantum wells, we find a picosecond photocurrent which is consistent with an ultrafast lateral expansion of the photogenerated charge carriers. This Dember-effect does not occur for an excitation of the GaAs-based core of the nanowires. Instead, the core exhibits an ultrafast displacement current and a photothermoelectric current at the metal Schottky contacts. Our results uncover the optoelectronic dynamics in semiconductor core-shell nanowires comprising quantum wells, and they demonstrate the possibility to use the low-dimensional quantum well states therein for ultrafast photoswitches and photodetectors.

Laboratory Rotational Spectroscopy in the Era of ALMA: Applications to Disks and Circumstellar Outflows

NASA Astrophysics Data System (ADS)

Ziurys, Lucy M.; McCarthy, Michael C.; Stancil, Phillip C.; Halfen, DeWayne; Burton, Mark; Gottlieb, Carl A.; Lee, Kelvin

2018-06-01

The enormous leap in sensitivity and angular resolution offered by the Atacama Large Millimeter Array (ALMA) has revealed the presence of ever greater chemical complexity in astronomical sources, with an increasing number of unidentified lines. The need for supporting laboratory spectroscopy has become more urgent to fully exploit the scientific impact of ALMA. Rotational transition measurements are particularly important in this regard, as are the evaluation of line strengths, collisional cross sections, and dipole moments. Here we present new spectroscopic data concerning a wide range of potential interstellar and circumstellar molecules, including silicon and metal-bearing species, lines arising from vibrationally-excited molecules, and supporting theoretical calculations. Recent work concerning AlC2, KO, and vibrationally-excited AlO will be presented.

High-frequency ground-motion parameters from weak-motion data in the Sicily Channel and surrounding regions

NASA Astrophysics Data System (ADS)

D'Amico, Sebastiano; Akinci, Aybige; Pischiutta, Marta

2018-07-01

In this paper we characterize the high-frequency (1.0-10 Hz) seismic wave crustal attenuation and the source excitation in the Sicily Channel and surrounding regions using background seismicity from weak-motion database. The data set includes 15 995 waveforms related to earthquakes having local magnitude ranging from 2.0 to 4.5 recorded between 2006 and 2012. The observed and predicted ground motions form the weak-motion data are evaluated in several narrow frequency bands from 0.25 to 20.0 Hz. The filtered observed peaks are regressed to specify a proper functional form for the regional attenuation, excitation and site specific term separately. The results are then used to calibrate effective theoretical attenuation and source excitation models using the random vibration theory. In the log-log domain, the regional seismic wave attenuation and the geometrical spreading coefficient are modelled together. The geometrical spreading coefficient, g(r), modelled with a bilinear piecewise functional form and given as g(r) ∝ r-1.0 for the short distances (r < 50 km) and as g(r) ∝ r-0.8 for the larger distances (r < 50 km). A frequency-dependent quality factor, inverse of the seismic attenuation parameter, Q(f)=160f/fref0. 35 (where fref = 1.0 Hz), is combined to the geometrical spreading. The source excitation terms are defined at a selected reference distance with a magnitude-independent roll-off spectral parameter, κ 0.04 s and with a Brune stress drop parameter increasing with moment magnitude, from Δσ = 2 MPa for Mw = 2.0 to Δσ = 13 MPa for Mw = 4.5. For events M ≤ 4.5 (being Mwmax = 4.5 available in the data set) the stress parameters are obtained by correlating the empirical/excitation source spectra with the Brune spectral model as function of magnitude. For the larger magnitudes (Mw>4.5) outside the range available in the calibration data set where we do not have recorded data, we extrapolate our results through the calibration of the stress parameters of the Brune source spectrum over the Bindi et al.ground-motion prediction equation selected as a reference model (hereafter also ITA10). Finally, the weak-motion-based model parameters are used through a stochastic approach in order to predict a set of region specific spectral ground-motion parameters (peak ground acceleration, peak ground velocity, and 0.3 and 1.0 Hz spectral acceleration) relative to the generic rock site as a function of distance between 10 and 250 km and magnitude between M 2.0 and M 7.0.

Long-range correction for tight-binding TD-DFT

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

Humeniuk, Alexander; Mitrić, Roland, E-mail: roland.mitric@uni-wuerzburg.de

2015-10-07

We present two improvements to the tight-binding approximation of time-dependent density functional theory (TD-DFTB): First, we add an exact Hartree-Fock exchange term, which is switched on at large distances, to the ground state Hamiltonian and similarly to the coupling matrix that enters the linear response equations for the calculation of excited electronic states. We show that the excitation energies of charge transfer states are improved relative to the standard approach without the long-range correction by testing the method on a set of molecules from the database in Peach et al. [J. Chem. Phys. 128, 044118 (2008)] which are known tomore » exhibit problematic charge transfer states. The degree of spatial overlap between occupied and virtual orbitals indicates where TD-DFTB and long-range corrected TD-DFTB (lc-TD-DFTB) can be expected to produce large errors. Second, we improve the calculation of oscillator strengths. The transition dipoles are obtained from Slater Koster files for the dipole matrix elements between valence orbitals. In particular, excitations localized on a single atom, which appear dark when using Mulliken transition charges, acquire a more realistic oscillator strength in this way. These extensions pave the way for using lc-TD-DFTB to describe the electronic structure of large chromophoric polymers, where uncorrected TD-DFTB fails to describe the high degree of conjugation and produces spurious low-lying charge transfer states.« less

Metal Al produced by H2 plasma reduction of AlCl3: a thermodynamic and kinetic study on the plasma chemistry.

PubMed

Zheng, Jie; Sun, Bo; Yang, Rong; Song, Xubo; Li, Xingguo; Pu, Yikang

2008-10-09

In this paper we reported that low temperature plasma may reverse the direction of a chemical reaction. The thermodynamically forbidden reaction between H 2 and AlCl 3 was able to take place with the assistance of low temperature plasma, yielding metal Al. The plasma chemistry of the reaction was investigated by optical emission spectroscopy, which suggested that the dissociation of H 2 and AlCl 3 molecules by plasma led the reaction to a thermodynamically favorable one by creating reaction channels with low Gibbs free energy change. The addition of Ar promoted the reaction kinetics dramatically, which was attributed to the enhanced dissociation of AlCl 3 molecules by excited Ar species.

RIC-3 phosphorylation enables dual regulation of excitation and inhibition of Caenorhabditis elegans muscle

PubMed Central

Safdie, Gracia; Liewald, Jana F.; Kagan, Sarah; Battat, Emil; Gottschalk, Alexander; Treinin, Millet

2016-01-01

Brain function depends on a delicate balance between excitation and inhibition. Similarly, Caenorhabditis elegans motor system function depends on a precise balance between excitation and inhibition, as C. elegans muscles receive both inhibitory, GABAergic and excitatory, cholinergic inputs from motor neurons. Here we show that phosphorylation of the ER-resident chaperone of nicotinic acetylcholine receptors, RIC-3, leads to increased muscle excitability. RIC-3 phosphorylation at Ser-164 depends on opposing functions of the phosphatase calcineurin (TAX-6), and of the casein kinase II homologue KIN-10. Effects of calcineurin down-regulation and of phosphorylated RIC-3 on muscle excitability are mediated by GABAA receptor inhibition. Thus RIC-3 phosphorylation enables effects of this chaperone on GABAA receptors in addition to nAChRs. This dual effect provides coordinated regulation of excitation and inhibition and enables fine-tuning of the excitation–inhibition balance. Moreover, regulation of inhibitory GABAA signaling by calcineurin, a calcium- and calmodulin-dependent phosphatase, enables homeostatic balancing of excitation and inhibition. PMID:27489343

Simulation of X-ray absorption spectra with orthogonality constrained density functional theory.

PubMed

Derricotte, Wallace D; Evangelista, Francesco A

2015-06-14

Orthogonality constrained density functional theory (OCDFT) [F. A. Evangelista, P. Shushkov and J. C. Tully, J. Phys. Chem. A, 2013, 117, 7378] is a variational time-independent approach for the computation of electronic excited states. In this work we extend OCDFT to compute core-excited states and generalize the original formalism to determine multiple excited states. Benchmark computations on a set of 13 small molecules and 40 excited states show that unshifted OCDFT/B3LYP excitation energies have a mean absolute error of 1.0 eV. Contrary to time-dependent DFT, OCDFT excitation energies for first- and second-row elements are computed with near-uniform accuracy. OCDFT core excitation energies are insensitive to the choice of the functional and the amount of Hartree-Fock exchange. We show that OCDFT is a powerful tool for the assignment of X-ray absorption spectra of large molecules by simulating the gas-phase near-edge spectrum of adenine and thymine.

Measurement of fluorophore concentrations and fluorescence quantum yield in tissue-simulating phantoms using three diffusion models of steady-state spatially resolved fluorescence.

PubMed

Diamond, Kevin R; Farrell, Thomas J; Patterson, Michael S

2003-12-21

Steady-state diffusion theory models of fluorescence in tissue have been investigated for recovering fluorophore concentrations and fluorescence quantum yield. Spatially resolved fluorescence, excitation and emission reflectance Carlo simulations, and measured using a multi-fibre probe on tissue-simulating phantoms containing either aluminium phthalocyanine tetrasulfonate (AlPcS4), Photofrin meso-tetra-(4-sulfonatophenyl)-porphine dihydrochloride The accuracy of the fluorophore concentration and fluorescence quantum yield recovered by three different models of spatially resolved fluorescence were compared. The models were based on: (a) weighted difference of the excitation and emission reflectance, (b) fluorescence due to a point excitation source or (c) fluorescence due to a pencil beam excitation source. When literature values for the fluorescence quantum yield were used for each of the fluorophores, the fluorophore absorption coefficient (and hence concentration) at the excitation wavelength (mu(a,x,f)) was recovered with a root-mean-square accuracy of 11.4% using the point source model of fluorescence and 8.0% using the more complicated pencil beam excitation model. The accuracy was calculated over a broad range of optical properties and fluorophore concentrations. The weighted difference of reflectance model performed poorly, with a root-mean-square error in concentration of about 50%. Monte Carlo simulations suggest that there are some situations where the weighted difference of reflectance is as accurate as the other two models, although this was not confirmed experimentally. Estimates of the fluorescence quantum yield in multiple scattering media were also made by determining mu(a,x,f) independently from the fitted absorption spectrum and applying the various diffusion theory models. The fluorescence quantum yields for AlPcS4 and TPPS4 were calculated to be 0.59 +/- 0.03 and 0.121 +/- 0.001 respectively using the point source model, and 0.63 +/- 0.03 and 0.129 +/- 0.002 using the pencil beam excitation model. These results are consistent with published values.

[Structure and luminescence properties of Ga2O3 : Cr3+ by Al doping].

PubMed

Wang, Xian-Sheng; Wan, Min-Hua; Wang, Yin-Hai; Zhao, Hui; Hu, Zheng-Fa; Li, Hai-Ling

2013-11-01

The Al doping gallate phosphor (Ga(1-x)Al(x))2O3 : Cr3+ (x = 0, 0.1, 0.2, 0.3, 0.4, 0.5) was synthesized by a high temperature solid-state reaction method. The X-ray diffractions show that the phase of the phosphors remains to be Ga2 O3 structure with increase in the contents of Al3+ ion. Beside, the fact that the X-ray diffraction peak shifts towards big angles with increasing Al3+ ions content shows that Al3+ ions entered the Ga2 O3 lattice. The peaks of the excitation spectra located at 258, 300, 410 and 550 nm are attributed to the band to band transition of the matrix, charge transfer band transition, and 4A2 --> 4T1 and 4A2 --> 4T2 transition of Cr3+ ions, respectively. Those excitation spectrum peak positions show different degrees of blue shift with the increase in the Al3+ ions content. The blue shift of the first two peaks are due to the band gap energy of substrate and the electronegativity between Cr3+ ions and ligands increasing, respectively. The blue shift of the energy level transition of Cr3+ ion is attributed to crystal field strength increasing. The Cr3+ ion luminescence changes from a broadband emission to a narrow-band emission with Al3+ doping, because the emission of Cr3+ ion changed from 4 T2 --> 4A2 to 2E --> 4A2 transition with the crystal field change after Al3+ ions doping. The Al3+ ions doping improved the long afterglow luminescence properties of samples, and the sample showed a longer visible near infrared when Al3+ ions content reaches 0.5. The thermoluminescence curve shows the sample with suitable trap energy level, and this is also the cause of the long afterglow luminescence materials.

System and method for characterizing voiced excitations of speech and acoustic signals, removing acoustic noise from speech, and synthesizing speech

DOEpatents

Burnett, Greg C [Livermore, CA; Holzrichter, John F [Berkeley, CA; Ng, Lawrence C [Danville, CA

2006-08-08

The present invention is a system and method for characterizing human (or animate) speech voiced excitation functions and acoustic signals, for removing unwanted acoustic noise which often occurs when a speaker uses a microphone in common environments, and for synthesizing personalized or modified human (or other animate) speech upon command from a controller. A low power EM sensor is used to detect the motions of windpipe tissues in the glottal region of the human speech system before, during, and after voiced speech is produced by a user. From these tissue motion measurements, a voiced excitation function can be derived. Further, the excitation function provides speech production information to enhance noise removal from human speech and it enables accurate transfer functions of speech to be obtained. Previously stored excitation and transfer functions can be used for synthesizing personalized or modified human speech. Configurations of EM sensor and acoustic microphone systems are described to enhance noise cancellation and to enable multiple articulator measurements.

System and method for characterizing voiced excitations of speech and acoustic signals, removing acoustic noise from speech, and synthesizing speech

DOEpatents

Burnett, Greg C.; Holzrichter, John F.; Ng, Lawrence C.

2004-03-23

The present invention is a system and method for characterizing human (or animate) speech voiced excitation functions and acoustic signals, for removing unwanted acoustic noise which often occurs when a speaker uses a microphone in common environments, and for synthesizing personalized or modified human (or other animate) speech upon command from a controller. A low power EM sensor is used to detect the motions of windpipe tissues in the glottal region of the human speech system before, during, and after voiced speech is produced by a user. From these tissue motion measurements, a voiced excitation function can be derived. Further, the excitation function provides speech production information to enhance noise removal from human speech and it enables accurate transfer functions of speech to be obtained. Previously stored excitation and transfer functions can be used for synthesizing personalized or modified human speech. Configurations of EM sensor and acoustic microphone systems are described to enhance noise cancellation and to enable multiple articulator measurements.

System and method for characterizing voiced excitations of speech and acoustic signals, removing acoustic noise from speech, and synthesizing speech

DOEpatents

Burnett, Greg C.; Holzrichter, John F.; Ng, Lawrence C.

2006-02-14

The present invention is a system and method for characterizing human (or animate) speech voiced excitation functions and acoustic signals, for removing unwanted acoustic noise which often occurs when a speaker uses a microphone in common environments, and for synthesizing personalized or modified human (or other animate) speech upon command from a controller. A low power EM sensor is used to detect the motions of windpipe tissues in the glottal region of the human speech system before, during, and after voiced speech is produced by a user. From these tissue motion measurements, a voiced excitation function can be derived. Further, the excitation function provides speech production information to enhance noise removal from human speech and it enables accurate transfer functions of speech to be obtained. Previously stored excitation and transfer functions can be used for synthesizing personalized or modified human speech. Configurations of EM sensor and acoustic microphone systems are described to enhance noise cancellation and to enable multiple articulator measurements.

System And Method For Characterizing Voiced Excitations Of Speech And Acoustic Signals, Removing Acoustic Noise From Speech, And Synthesizi

DOEpatents

Burnett, Greg C.; Holzrichter, John F.; Ng, Lawrence C.

2006-04-25

The present invention is a system and method for characterizing human (or animate) speech voiced excitation functions and acoustic signals, for removing unwanted acoustic noise which often occurs when a speaker uses a microphone in common environments, and for synthesizing personalized or modified human (or other animate) speech upon command from a controller. A low power EM sensor is used to detect the motions of windpipe tissues in the glottal region of the human speech system before, during, and after voiced speech is produced by a user. From these tissue motion measurements, a voiced excitation function can be derived. Further, the excitation function provides speech production information to enhance noise removal from human speech and it enables accurate transfer functions of speech to be obtained. Previously stored excitation and transfer functions can be used for synthesizing personalized or modified human speech. Configurations of EM sensor and acoustic microphone systems are described to enhance noise cancellation and to enable multiple articulator measurements.

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.

Large longitudinal spin alignment generated in inelastic nuclear reactions

NASA Astrophysics Data System (ADS)

Hoff, D. E. M.; Potel, G.; Brown, K. W.; Charity, R. J.; Pruitt, C. D.; Sobotka, L. G.; Webb, T. B.; Roeder, B.; Saastamoinen, A.

2018-05-01

Large longitudinal spin alignment of E /A =24 MeV 7Li projectiles inelastically excited by Be, C, and Al targets was observed when the latter remain in their ground state. This alignment is a consequence of an angular-momentum-excitation-energy mismatch, which is well described by a DWBA cluster-model (α +t ). The longitudinal alignment of several other systems is also well described by DWBA calculations, including one where a cluster model is inappropriate, demonstrating that the alignment mechanism is a more general phenomenon. Predictions are made for inelastic excitation of 12C for beam energies above and below the mismatch threshold.

Electron Energy Distribution function in a weakly magnetized expanding helicon plasma discharge

NASA Astrophysics Data System (ADS)

Sirse, Nishant; Harvey, Cleo; Gaman, Cezar; Ellingboe, Bert

2016-09-01

Helicon wave heating is well known to produce high-density plasma source for application in plasma thrusters, plasma processing and many more. Our previous study (B Ellingboe et al. APS Gaseous Electronics Conference 2015, abstract #KW2.005) has shown observation of helicon wave in a weakly magnetized inductively coupled plasma source excited by m =0 antenna at 13.56 MHz. In this paper, we investigated the Electron Energy Distribution Function (EEDF) in the same setup by using an RF compensated Langmuir probe. The ac signal superimposition technique (second harmonic technique) is used to determine EEDF. The EEDF is measured for 5-100 mTorr gas pressure, 100 W - 1.5 kW rf power and at different locations in the source chamber, boundary and diffusion chamber. This paper will discuss the change in the shape of EEDF for various heating mode transitions.

Spontaneous and stimulated emission spectroscopy of a Nd(3+)-doped phosphate glass under wavelength selective pumping.

PubMed

Iparraguirre, I; Azkargorta, J; Balda, R; Venkata Krishnaiah, K; Jayasankar, C K; Al-Saleh, M; Fernández, J

2011-09-26

The influence of the host matrix on the spectroscopic and laser properties of Nd(3+) in a K-Ba-Al phosphate glass has been investigated as a function of rare-earth concentration. Site-selective time resolved laser spectroscopy and stimulated emission experiments under selective wavelength laser pumping show the existence of a very complex crystal field site distribution of Nd(3+) ions in this glass. The peak of the broad stimulated (4)F(3/2)→(4)I(11/2) emission shifts in a non monotonous way up to 3 nm as a function of the excitation wavelength. This behavior can be explained by the relatively moderate inter-site energy transfer among Nd(3+) ions found in this system and measured by using fluorescence line narrowing spectroscopy. The best slope efficiency obtained for the laser emission was 40%. © 2011 Optical Society of America

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

Schwartz, S. B.; Wrede, C.; Bennett, M. B.

Background: The Doppler broadening of gamma-ray peaks is due to nuclear recoil from beta-delayed nucleon emission can be used to measure the energies of the nucleons. This method has never been tested using beta-delayed proton emission or applied to a recoil heavier than A = 10. Purpose: To test and apply this Doppler broadening method using gamma-ray peaks from the P-26(beta p gamma)Al-25 decay sequence. Methods: A fast beam of P-26 was implanted into a planar Ge detector, which was used as a P-26 beta-decay trigger. The SeGA array of high-purity Ge detectors was used to detect gamma rays frommore » the P-26(beta p gamma)Al-25 decay sequence. Results: Radiative Doppler broadening in beta-delayed proton-gamma decay was observed for the first time. Moreover, the Doppler broadening analysis method was verified using the 1613-keV gamma-ray line for which the proton energies were previously known. The 1776-keV gamma ray de-exciting the 2720 keV Al-25 level was observed in P-26(beta p gamma)Al-25 decay for the first time and used to determine that the center-of-mass energy of the proton emission feeding the 2720-keV level is 5.1 +/- 1.0 (stat.) +/- 0.6 (syst.) MeV, corresponding to a Si-26 excitation energy of 13.3 +/- 1.0 (stat.) +/- 0.6 (syst.) MeV for the proton-emitting level. Conclusions: Finally, the Doppler broadening method has been demonstrated to provide practical measurements of the energies for beta-delayed nucleon emissions populating excited states of nuclear recoils at least as heavy as A = 25.« less

Observation of Doppler broadening in β -delayed proton- γ decay

DOE PAGES

Schwartz, S. B.; Wrede, C.; Bennett, M. B.; ...

2015-09-14

Background: The Doppler broadening of gamma-ray peaks is due to nuclear recoil from beta-delayed nucleon emission can be used to measure the energies of the nucleons. This method has never been tested using beta-delayed proton emission or applied to a recoil heavier than A = 10. Purpose: To test and apply this Doppler broadening method using gamma-ray peaks from the P-26(beta p gamma)Al-25 decay sequence. Methods: A fast beam of P-26 was implanted into a planar Ge detector, which was used as a P-26 beta-decay trigger. The SeGA array of high-purity Ge detectors was used to detect gamma rays frommore » the P-26(beta p gamma)Al-25 decay sequence. Results: Radiative Doppler broadening in beta-delayed proton-gamma decay was observed for the first time. Moreover, the Doppler broadening analysis method was verified using the 1613-keV gamma-ray line for which the proton energies were previously known. The 1776-keV gamma ray de-exciting the 2720 keV Al-25 level was observed in P-26(beta p gamma)Al-25 decay for the first time and used to determine that the center-of-mass energy of the proton emission feeding the 2720-keV level is 5.1 +/- 1.0 (stat.) +/- 0.6 (syst.) MeV, corresponding to a Si-26 excitation energy of 13.3 +/- 1.0 (stat.) +/- 0.6 (syst.) MeV for the proton-emitting level. Conclusions: Finally, the Doppler broadening method has been demonstrated to provide practical measurements of the energies for beta-delayed nucleon emissions populating excited states of nuclear recoils at least as heavy as A = 25.« less

Observation of Doppler broadening in β -delayed proton-γ decay

NASA Astrophysics Data System (ADS)

Schwartz, S. B.; Wrede, C.; Bennett, M. B.; Liddick, S. N.; Pérez-Loureiro, D.; Bowe, A.; Chen, A. A.; Chipps, K. A.; Cooper, N.; Irvine, D.; McNeice, E.; Montes, F.; Naqvi, F.; Ortez, R.; Pain, S. D.; Pereira, J.; Prokop, C.; Quaglia, J.; Quinn, S. J.; Sakstrup, J.; Santia, M.; Shanab, S.; Simon, A.; Spyrou, A.; Thiagalingam, E.

2015-09-01

Background: The Doppler broadening of γ -ray peaks due to nuclear recoil from β -delayed nucleon emission can be used to measure the energies of the nucleons. This method has never been tested using β -delayed proton emission or applied to a recoil heavier than A =10 . Purpose: To test and apply this Doppler broadening method using γ -ray peaks from the 26P(β p γ )25Al decay sequence. Methods: A fast beam of 26P was implanted into a planar Ge detector, which was used as a 26P β -decay trigger. The SeGA array of high-purity Ge detectors was used to detect γ rays from the 26P(β p γ )25Al decay sequence. Results: Radiative Doppler broadening in β -delayed proton-γ decay was observed for the first time. The Doppler broadening analysis method was verified using the 1613-keV γ -ray line for which the proton energies were previously known. The 1776-keV γ ray de-exciting the 2720 keV 25Al level was observed in 26P(β p γ )25Al decay for the first time and used to determine that the center-of-mass energy of the proton emission feeding the 2720-keV level is 5.1 ±1.0 (stat.) ±0.6 (syst.) MeV, corresponding to a 26Si excitation energy of 13.3 ±1.0 (stat.) ±0.6 (syst.) MeV for the proton-emitting level. Conclusions: The Doppler broadening method has been demonstrated to provide practical measurements of the energies for β -delayed nucleon emissions populating excited states of nuclear recoils at least as heavy as A =25 .

On the Nature and Timing of Giant Planet Migration in the Solar System

NASA Astrophysics Data System (ADS)

Agnor, Craig B.

2016-05-01

Giant planet migration is a natural outcome of gravitational scattering and planet formation processes (Fernandez & Ip 1984). There is compelling evidence that the solar system's giant planets experienced large-scale migration involving close approaches between planets as well as smooth radial migration via planetesimal scattering. Aspects of giant planet migration have been invoked to explain many features of the outer solar system including the resonant structure of the Kuiper Belt (e.g., Malhotra 1993, Levison et al. 2008), the eccentricities of Jupiter and Saturn (Tsiganis et al. 2005, Morbidelli et al. 2009), the capture of Jupiter's Trojan companions (Morbidelli et al. 2005) and the capture of irregular planetary satellites (e.g., Nesvorny et al. 2007) to name a few. If this migration epoch occurred after the formation of the inner planets, then it may also explain the so-called lunar Late Heavy Bombardment (Gomes et al. 2005). This scenario necessarily requires coeval terrestrial and migrating giant planets. Recent N-body integrations exploring this issue have shown that giant planet migration may excite the terrestrial system via nodal and apsidal secular resonances (e.g., Brasser et al. 2013), may drive the terrestrial planets to crossing orbits (Kaib & Chambers 2016) or alternatively leave the inner solar system in a state closely resembling the observed one (Roig et al. 2016). The factors accounting for the large range of outcomes remain unclear. Using linear secular models and N-body simulations I am identifying and characterising the principal aspects of giant planet migration that excite the terrestrial planets' orbits. I will present these results and discuss how they inform the nature and timing of giant planet migration in the solar system.

Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional.

PubMed

Ziegler, Tom; Krykunov, Mykhaylo; Autschbach, Jochen

2014-09-09

The random phase approximation (RPA) equation of adiabatic time dependent density functional ground state response theory (ATDDFT) has been used extensively in studies of excited states. It extracts information about excited states from frequency dependent ground state response properties and avoids, thus, in an elegant way, direct Kohn-Sham calculations on excited states in accordance with the status of DFT as a ground state theory. Thus, excitation energies can be found as resonance poles of frequency dependent ground state polarizability from the eigenvalues of the RPA equation. ATDDFT is approximate in that it makes use of a frequency independent energy kernel derived from the ground state functional. It is shown in this study that one can derive the RPA equation of ATDDFT from a purely variational approach in which stationary states above the ground state are located using our constricted variational DFT (CV-DFT) method and the ground state functional. Thus, locating stationary states above the ground state due to one-electron excitations with a ground state functional is completely equivalent to solving the RPA equation of TDDFT employing the same functional. The present study is an extension of a previous work in which we demonstrated the equivalence between ATDDFT and CV-DFT within the Tamm-Dancoff approximation.

Synthetic Biomimetic Fluorophores for Micro/Nanosensor

DTIC Science & Technology

2006-11-01

as a companion protein to aequorin, the famous chemiluminescent protein from the brightly luminescent Aequorea jellyfish , with glowing points...peaked near 470 nm, which was close to one of the excitation peaks of GFP. Aequorin, isolated from the jellyfish Aequorea victoria, is a complex of...partially homologous to green fluorescent protein (GFP) (Matz et al. 1999, Dove et al. 2000), first found in the luminescent jellyfish Aequorea and used

Commentary: An Exciting Evolutionary Framework for New Bridges between Social-Emotional and Cognitive Development--A Reflection on Suor et al. (2017)

ERIC Educational Resources Information Center

Kochanska, Grazyna; Goffin, Kathryn C.

2017-01-01

Suor et al. (2017) present a compelling new evolutionary framework that offers an alternative interpretation of the well-established findings of cognitive deficits in children raised in harsh early environments. They argue that such findings do not convey a complete picture of those children's cognitive development, because children's cognition…

Detection of Heater Generated Super Small Scale Striations Using GPS Signal Diagnostics

NASA Astrophysics Data System (ADS)

Najmi, A. C.; Milikh, G. M.; Chiang, K.; Psiaki, M.; Secan, J. A.; Bernhardt, P. A.; Briczinski, S. J.; Siefring, C. L.; Papadopoulos, K.

2013-12-01

Recent theoretical models predict that super small striations (SSS) of the electron density, on the order of ten centimeters, can be excited by HF waves with frequency close to multiples of the electron gyro frequency [Gurevich et al., 2006]. The first experimental verification of SSS was made at HAARP [Milikh et al., 2008]. We present results of HAARP experiments that include simultaneous observations of GPS carrier phase and SEE observations of ionospheric turbulence. These observations show that SSS excited by HF frequencies near the fourth harmonic of the gyro frequency scatter GPS signals, and in three out of six experiments indicate the presence of strong turbulence, similar to that observed in descending artificial ionized layer experiments [Pedersen et al., 2010]. This turbulence is capable of generating suprathermal electrons, and in one of the experiments, the presence of fast electrons was confirmed by the HAARP incoherent scattering radar. Estimates on the SSS shows that they correspond to 3-10% electron density depletions. Such irregularities affect UHF signals including GPS, and thus can be important in applications. Gurevich, A.V. and K.P. Zybin (2006), Phys. Lett. A, 358, 159. Milikh, G., et al. (2008), Geophys. Res. Let., 35, L22102, doi:10.1029/2008GL035527. Pedersen, T. et al. (2010), Geophys. Res. Let., 37, L02106, doi:10.1029/2009GL041895.

Active Control of the Forced and Transient Response of a Finite Beam. M.S. Thesis

NASA Technical Reports Server (NTRS)

Post, John Theodore

1989-01-01

When studying structural vibrations resulting from a concentrated source, many structures may be modelled as a finite beam excited by a point source. The theoretical limit on cancelling the resulting beam vibrations by utilizing another point source as an active controller is explored. Three different types of excitation are considered, harmonic, random, and transient. In each case, a cost function is defined and minimized for numerous parameter variations. For the case of harmonic excitation, the cost function is obtained by integrating the mean squared displacement over a region of the beam in which control is desired. A controller is then found to minimize this cost function in the control interval. The control interval and controller location are continuously varied for several frequencies of excitation. The results show that control over the entire beam length is possible only when the excitation frequency is near a resonant frequency of the beam, but control over a subregion may be obtained even between resonant frequencies at the cost of increasing the vibration outside of the control region. For random excitation, the cost function is realized by integrating the expected value of the displacement squared over the interval of the beam in which control is desired. This is shown to yield the identical cost function as obtained by integrating the cost function for harmonic excitation over all excitation frequencies. As a result, it is always possible to reduce the cost function for random excitation whether controlling the entire beam or just a subregion, without ever increasing the vibration outside the region in which control is desired. The last type of excitation considered is a single, transient pulse. A cost function representative of the beam vibration is obtained by integrating the transient displacement squared over a region of the beam and over all time. The form of the controller is chosen a priori as either one or two delayed pulses. Delays constrain the controller to be causal. The best possible control is then examined while varying the region of control and the controller location. It is found that control is always possible using either one or two control pulses. The two pulse controller gives better performance than a single pulse controller, but finding the optimal delay time for the additional controllers increases as the square of the number of control pulses.

Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes – Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR2, and (BDI)AlX2 Complexes.

PubMed

Altman, Alison B; Pemmaraju, C D; Camp, Clément; Arnold, John; Minasian, Stefan G; Prendergast, David; Shuh, David K; Tyliszczak, Tolek

2015-08-19

Polarized aluminum K-edge X-ray absorption near edge structure (XANES) spectroscopy and first-principles calculations were used to probe electronic structure in a series of (BDI)Al, (BDI)AlX2, and (BDI)AlR2 coordination compounds (X = F, Cl, I; R = H, Me; BDI = 2,6-diisopropylphenyl-β-diketiminate). Spectral interpretations were guided by examination of the calculated transition energies and polarization-dependent oscillator strengths, which agreed well with the XANES spectroscopy measurements. Pre-edge features were assigned to transitions associated with the Al 3p orbitals involved in metal-ligand bonding. Qualitative trends in Al 1s core energy and valence orbital occupation were established through a systematic comparison of excited states derived from Al 3p orbitals with similar symmetries in a molecular orbital framework. These trends suggested that the higher transition energies observed for (BDI)AlX2 systems with more electronegative X(1-) ligands could be ascribed to a decrease in electron density around the aluminum atom, which causes an increase in the attractive potential of the Al nucleus and concomitant increase in the binding energy of the Al 1s core orbitals. For (BDI)Al and (BDI)AlH2 the experimental Al K-edge XANES spectra and spectra calculated using the eXcited electron and Core-Hole (XCH) approach had nearly identical energies for transitions to final state orbitals of similar composition and symmetry. These results implied that the charge distributions about the aluminum atoms in (BDI)Al and (BDI)AlH2 are similar relative to the (BDI)AlX2 and (BDI)AlMe2 compounds, despite having different formal oxidation states of +1 and +3, respectively. However, (BDI)Al was unique in that it exhibited a low-energy feature that was attributed to transitions into a low-lying p-orbital of b1 symmetry that is localized on Al and orthogonal to the (BDI)Al plane. The presence of this low-energy unoccupied molecular orbital on electron-rich (BDI)Al distinguishes its valence electronic structure from that of the formally trivalent compounds (BDI)AlX2 and (BDI)AlR2. The work shows that Al K-edge XANES spectroscopy can be used to provide valuable insight into electronic structure and reactivity relationships for main-group coordination compounds.

Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals.

PubMed

Li, Chen; Lu, Jianfeng; Yang, Weitao

2015-12-14

We develop the gentlest ascent dynamics for Kohn-Sham density functional theory to search for the index-1 saddle points on the energy landscape of the Kohn-Sham density functionals. These stationary solutions correspond to excited states in the ground state functionals. As shown by various examples, the first excited states of many chemical systems are given by these index-1 saddle points. Our novel approach provides an alternative, more robust way to obtain these excited states, compared with the widely used ΔSCF approach. The method can be easily generalized to target higher index saddle points. Our results also reveal the physical interest and relevance of studying the Kohn-Sham energy landscape.

Self-Exciting Point Process Models of Civilian Deaths in Iraq

DTIC Science & Technology

2010-01-01

Tita , 2009), we propose that violence in Iraq arises from a combination of exogenous and en- dogenous effects. Spatial heterogeneity in background...Schoenberg, and Tita (2010) where they analyze burgarly and robbery data in Los Angeles. Related work has also been done 2 in Short et al. (2009) where...Control , 4 , 215–240. Mohler, G. O., Short, M. B., Brantingham, P. J., Schoenberg, F. P., & Tita , G. E. (2010). Self- exciting point process modeling of

Importance of considering helium excited states in He+ scattering by an aluminum surface

NASA Astrophysics Data System (ADS)

Iglesias-García, A.; García, Evelina A.; Goldberg, E. C.

2014-11-01

The He+/Al system is a very interesting projectile-surface combination which was thought initially as an example of a pure Auger neutralization mechanism. Then, because of the measured reionization explained by the antibonding interaction of the projectile state with the core target states, the resonant charge exchange with the band states was considered as another important contribution to the neutralization. Nevertheless, by only considering the neutralization to the ground state of helium, the measured ion survival probability is still overestimated. On the other hand, measurements of electron emission from an Al surface bombarded by He positive ions suggested the possibility of occupied excited states of helium due to the ion-surface collision. In this work, we also include the excited states of He within the time-dependent scattering process in which both neutralization mechanisms, resonant and Auger, are simultaneously contemplated. Our starting point is a multiorbital Anderson Hamiltonian projected over the selected space of ground and excited atomic configurations. An extra term related to the Auger mechanism is added to this Hamiltonian. A difference with previous works is that this approach includes the electron spin and, therefore, the spin fluctuation statistics in the charge-exchange process is correctly taken into account. We find a notable improvement in the agreement with the experiments and also that the interference between both mechanisms is not dramatic.

Spectroscopic Study and Astronomical Detection of Vibrationally Excited n-PROPYL Cyanide

NASA Astrophysics Data System (ADS)

Müller, Holger S. P.; Wehres, Nadine; Wilkins, Olivia H.; Lewen, Frank; Schlemmer, Stephan; Walters, Adam; Vicente, Rémi; Liu, Delong; Garrod, Robin T.; Belloche, Arnaud; Menten, Karl M.

2016-06-01

We have obtained ALMA data of Sagittarius (Sgr for short) B2(N) between 84.0 and 114.4 GHz in its Early Science Cycles 0 and 1. We have focused our analyses on the northern, secondary hot molecular core Sgr B2(N2) because of the smaller line widths. The survey led to the first detection of a branched alkyl compound, iso-propyl cyanide, i-C_3H_7CN, in space besides the ˜2.5 times more abundant straight chain isomer n-propyl cyanide, a molecule which we had detected in our IRAM 30 m survey. We suspected to be able to detect n-propyl cyanide in vibrationally excited states in our ALMA data. We have recorded laboratory rotational spectra of this molecule in three large frequency regions and identified several excited vibrational states. The analyses of these spectra have focused on the 36 to 70 GHz and 89 to 127 GHz regions and on the four lowest excited vibrational states of both the lower lying gauche- and the slightly higher lying anti-conformer for which rotational constants had been published. We will present results of our laboratory spectroscopic investigations and will report on the detection of these states toward Sgr B2(N2). A. Belloche et al., Science 345 (2014) 1584. A. Belloche et al., A&A 499 (2009) 215. E. Hirota, J. Chem. Phys. 37 (1962) 2918.

Excited-State Effective Masses in Lattice QCD

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

George Fleming, Saul Cohen, Huey-Wen Lin

2009-10-01

We apply black-box methods, i.e. where the performance of the method does not depend upon initial guesses, to extract excited-state energies from Euclidean-time hadron correlation functions. In particular, we extend the widely used effective-mass method to incorporate multiple correlation functions and produce effective mass estimates for multiple excited states. In general, these excited-state effective masses will be determined by finding the roots of some polynomial. We demonstrate the method using sample lattice data to determine excited-state energies of the nucleon and compare the results to other energy-level finding techniques.

Condensed Matter Theories: Volume 25

NASA Astrophysics Data System (ADS)

Ludeña, Eduardo V.; Bishop, Raymond F.; Iza, Peter

2011-03-01

pt. A. Fermi and Bose fluids, exotic systems. Reemergence of the collective mode in [symbol]He and electron layers / H. M. Bohm ... [et al.]. Dissecting and testing collective and topological scenarios for the quantum critical point / J. W. Clark, V. A. Khodel and M. V. Zverev. Helium on nanopatterned surfaces at finite temperature / E. S. Hernandez ... [et al.]. Towards DFT calculations of metal clusters in quantum fluid matrices / S. A. Chin ... [et al.]. Acoustic band gap formation in metamaterials / D. P. Elford ... [et al.]. Dissipative processes in low density strongly interacting 2D electron systems / D. Neilson. Dynamical spatially resolved response function of finite 1-D nano plasmas / T. Raitza, H. Reinholz and G. Ropke. Renormalized bosons and fermions / K. A. Gernoth and M. L. Ristig. Light clusters in nuclear matter / G. Ropke -- pt. B. Quantum magnets, quantum dynamics and phase transitions. Magnetic ordering of antiferromagnets on a spatially anisotropic triangular lattice / R. F. Bishop ... [et al.]. Thermodynamic detection of quantum phase transitions / M. K. G. Kruse ... [et al.]. The SU(2) semi quantum systems dynamics and thermodynamics / C. M. Sarris and A. N. Proto -- pt. C. Physics of nanosystems and nanotechnology. Quasi-one dimensional fluids that exhibit higher dimensional behavior / S. M. Gatica ... [et al.]. Spectral properties of molecular oligomers. A non-Markovian quantum state diffusion approach / J. Roden, W. T. Strunz and A. Eisfeld. Quantum properties in transport through nanoscopic rings: Charge-spin separation and interference effects / K. Hallberg, J. Rincon and S. Ramasesha. Cooperative localization-delocalization in the high T[symbol] cuprates / J. Ranninger. Thermodynamically stable vortex states in superconducting nanowires / W. M. Wu, M. B. Sobnack and F. V. Kusmartsev.pt. D. Quantum information. Quantum information in optical lattices / A. M. Guzman and M. A. Duenas E. -- pt. E. Theory and applications of molecular dynamics and density functional theory. Exchange-correlation functionals from the identical-particle Ornstein-Zernike equation: Basic formulation and numerical algorithms / R. Cuevas-Saavedra and P. W. Ayers. Features and catalytic properties of RhCu: A review / S. Gonzalez, C. Sousa and F. Illas. Kinetic energy functionals: Exact ones from analytic model wave functions and approximate ones in orbital-free molecular dynamics / V. V. Karasiev ... [et al.]. Numerical analysis of hydrogen storage in carbon nanopores / C. Wexler ... [et al.] -- pt. F. Superconductivity. Generalized Bose-Einstein condensation in superconductivity / M. de Llano. Kohn anomaly energy in conventional superconductors equals twice the energy of the superconducting gap: How and why? / R. Chaudhury and M. P. Das. Collective excitations in superconductors and semiconductors in the presence of a condensed phase / Z. Koinov. Thermal expansion of ferromagnetic superconductors: Possible application to UGe[symbol] / N. Hatayama and R. Konno. Generalized superconducting gap in a Boson-Fermion model / T. A. Mamedov and M. de Llano. Influence of domain walls in the superconductor/ferromagnet proximity effect / E. J. Patino. Spin singlet and triplet superconductivity induced by correlated hopping interactions / L. A. Perez, J. S. Millan and C. Wang -- pt. G. Statistical mechanics, relativistic quantum mechanics. Boltzmann's ergodic hypothesis: A meeting place for two cultures / M. H. Lee. Electron-electron interaction in the non-relativistic limit / F. B. Malik.

Proton-Proton Elastic Scattering Excitation Functions at Intermediate Energies: Cross Sections and Analyzing Powers

NASA Astrophysics Data System (ADS)

Hinterberger, F.; Rohdjeß, H.; Altmeier, M.; Bauer, F.; Bisplinghoff, J.; Büßer, K.; Busch, M.; Colberg, T.; Diehl, O.; Dohrmann, F.; Engelhardt, H. P.; Eversheim, P. D.; Felden, O.; Gebel, R.; Glende, M.; Greiff, J.; Groß-Hardt, R.; Hinterberger, F.; Jahn, R.; Jonas, E.; Krause, H.; Langkau, R.; Lindemann, T.; Lindlein, J.; Maier, R.; Maschuw, R.; Mayer-Kuckuk, T.; Meinerzhagen, A.; Nähle, O.; Prasuhn, D.; Rohdjeß, H.; Rosendaal, D.; von Rossen, P.; Schirm, N.; Schulz-Rojahn, M.; Schwarz, V.; Scobel, W.; Trelle, H. J.; Weise, E.; Wellinghausen, A.; Woller, K.; Ziegler, R.

2000-01-01

The EDDA experiment at the cooler synchrotron COSY measures proton-proton elastic scattering excitation functions in the momentum range 0.8 - 3.4 GeV/c. In phase 1 of the experiment, spin-averaged differential cross sections were measured continuously during acceleration with an internal polypropylene (CH2) fiber target, taking particular care to monitor luminosity as a function of beam momentum. In phase 2, excitation functions of the analyzing power AN and the polarization correlation parameters ANN, ASS and ASL are measured using a polarized proton beam and a polarized atomic hydrogen beam target. The paper presents recent dσ/dΩ and AN data. The results provide excitation functions and angular distributions of high precision and internal consistency. No evidence for narrow structures was found. The data are compared to recent phase shift solutions.

Pressure Effects on the Relaxation of an Excited Nitromethane Molecule in an Argon Bath

DTIC Science & Technology

2015-01-05

pressure. The Schwarzer et al. measurements of the relaxation of azulene in a variety of supercritical fluids including CO2 show that a change in...J. Chem. Phys. 142, 014303 (2015) experimental studies8(b),8(c),14,15 that have used supercritical fluids for which the density can be conveniently...work of Heidelbach et al.20 for azulene/ CO2 and of Paul et al.23 for the C6F6/N2 system. While it is impossible to briefly summarize the vast body of

The performance and relationship among range-separated schemes for density functional theory

NASA Astrophysics Data System (ADS)

Nguyen, Kiet A.; Day, Paul N.; Pachter, Ruth

2011-08-01

The performance and relationship among different range-separated (RS) hybrid functional schemes are examined using the Coulomb-attenuating method (CAM) with different values for the fractions of exact Hartree-Fock (HF) exchange (α), long-range HF (β), and a range-separation parameter (μ), where the cases of α + β = 1 and α + β = 0 were designated as CA and CA0, respectively. Attenuated PBE exchange-correlation functionals with α = 0.20 and μ = 0.20 (CA-PBE) and α = 0.25 and μ = 0.11 (CA0-PBE) are closely related to the LRC-ωPBEh and HSE functionals, respectively. Time-dependent density functional theory calculations were carried out for a number of classes of molecules with varying degrees of charge-transfer (CT) character to provide an assessment of the accuracy of excitation energies from the CA functionals and a number of other functionals with different exchange hole models. Functionals that provided reasonable estimates for local and short-range CT transitions were found to give large errors for long-range CT excitations. In contrast, functionals that afforded accurate long-range CT excitation energies significantly overestimated energies for short-range CT and local transitions. The effects of exchange hole models and parameters developed for RS functionals for CT excitations were analyzed in detail. The comparative analysis across compound classes provides a useful benchmark for CT excitations.

Directionality of Flare-Accelerated Particles from γ -ray Lines

NASA Astrophysics Data System (ADS)

Share, G. H.; Murphy, R. J.

2000-05-01

The energies and widths of γ -ray lines emitted by ambient nuclei excited by flare-accelerated protons and α -particles provide information on their directionality, spectra, and on the uniformity of the interaction region. For example, the γ -rays observed from a downward beam of particles impacting at 0o heliocentric angle would exhibit a clear Doppler red-shift and some broadening, dependent on the spectrum of the particles. In contrast, γ -rays observed from the same beam of particles impacting at 90o would be neither observably shifted nor broadened. We have studied the energies and widths of strong lines from de-excitations of 20Ne, 12C, and 16O in solar flares as a function of heliocentric angle. We use spectra from 21 flares observed with NASA's Solar Maximum Mission/GRS and Compton Observatory/OSSE experiments. The line energies of all three nuclei exhibit ~0.9% red-shifts from their laboratory values for flares observed at heliocentric angles <40o. In contrast, the energies are not significantly shifted for flares observed at angles >80o. The lines at all heliocentric angles are broadened between ~2.5% to 4%. These results are suggestive of a broad downward distribution of accelerated particles in flares or an isotropic distribution in a medium that has a significant density gradient. Detailed comparisons of these data with results from the gamma-ray production code (Ramaty, et al. 1979, ApJS, 40, 487; Murphy, et al. 1991, ApJ, 371, 793) are required in order to place constraints on the angular distributions of particles. This research has been supported by NASA grant W-18995.

Hydrological signal in polar motion excitation from a combination of geophysical and gravimetric series

NASA Astrophysics Data System (ADS)

Nastula, Jolanta; Winska, Malgorzata; Salstein, David A.

2015-08-01

One can estimate the hydrological signal in polar motion excitation as a residual, namely the difference between observed geodetic excitation functions (Geodetic Angular Momentum, GAM) and the sum of Atmospheric Angular Momentum (AAM) and Oceanic Angular Momentum (OAM).The aim of this study is to find the optimal model and results for hydrological excitation functions in terms of their agreement with the computed difference between GAM and atmospheric and oceanic signals.The atmospheric and oceanic model-based data that we use in this study are the geophysical excitation functions of AAM, OAM available from the Special Bureaus for the Atmosphere and Oceans of the Geophysical Global Fluids Center (GGFC) of the International Earth Rotation and Reference Systems Service (IERS). For the atmosphere and ocean, these functions are based on the mass and motion fields of the fluids.Global models of land hydrology are used to estimate hydrological excitation functions of polar motion (Hydrological Angular Momentum - HAM). These HAM series are the mass of water substance determined from the various types of land-based hydrological reservoirs. In addition the HAM are estimated from spherical harmonic coefficients of the Earth’s gravity field. We use several sets of degree-2, order-1 harmonics of the Earth’s gravity field, derived from the Gravity Recovery and Climate Experiment (GRACE), Satellite Laser Ranging (SLR), and Global Navigation Satellite Systems (GNSS) data.Finally, these several different HAM series are used to determine the best model of hydrological excitation of polar motion. The model is found by looking for the combination of these series that fits the geodetic residuals using the least-square method.In addition, we will access model results from the Coupled Model Intercomparison Project, fifth experiment (CMIP-5) to examine atmospheric excitations from the twentieth century and estimates for the twenty-first century to see the possible signals and trends of these excitation series to help understand the potential range in the derived of hydrological excitation results.

The {alpha}-particle excited scintillation response of the liquid phase epitaxy grown LuAG:Ce thin films

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

Prusa, P.; Cechak, T.; Mares, J. A.

2008-01-28

Liquid phase epitaxy grown Lu{sub 3}Al{sub 5}O{sub 12}:Ce (LuAG:Ce) 20 {mu}m thick films and plate cut from the bulk Czochralski-grown LuAG:Ce crystal were prepared for comparison of photoelectron yield (PhY) and PhY dependence on shaping time (0.5-10 {mu}s). {sup 241}Am ({alpha} particles) was used for excitation. At the 0.5 {mu}s shaping time, the best film shows comparable PhY with the bulk sample. PhY of bulk material increases noticeably more with shaping time than that of the films. Energy resolution of films is better. Influence of Pb{sup 2+} contamination in the films (from the flux) and antisite Lu{sub Al} defect inmore » bulk material is discussed.« less

Electron heating due to microwave photoexcitation in the high mobility GaAs/AlGaAs two dimensional electron system

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

Ramanayaka, A. N.; Mani, R. G.; Wegscheider, W.

2013-12-04

We extract the electron temperature in the microwave photo-excited high mobility GaAs/AlGaAs two dimensional electron system (2DES) by studying the influence of microwave radiation on the amplitude of Shubnikov-de Haas oscillations (SdHOs) in a regime where the cyclotron frequency, ω{sub c}, and the microwave angular frequency, ω, satisfy 2ω ≤ ω{sub c} ≤ 3.5ω The results indicate that increasing the incident microwave power has a weak effect on the amplitude of the SdHOs and therefore the electron temperature, in comparison to the influence of modest temperature changes on the dark-specimen SdH effect. The results indicate negligible electron heating under modestmore » microwave photo-excitation, in good agreement with theoretical predictions.« less

Nonreciprocity of electrically excited thermal spin signals in CoFeAl-Cu-Py lateral spin valves

NASA Astrophysics Data System (ADS)

Hu, Shaojie; Cui, Xiaomin; Nomura, Tatsuya; Min, Tai; Kimura, Takashi

2017-03-01

Electrical and thermal spin currents excited by an electric current have been systematically investigated in lateral spin valves consisting of CoFeAl and Ni80Fe20 (Py) wires bridged by a Cu strip. In the electrical spin signal, the reciprocity between the current and voltage probes was clearly confirmed. However, a significant nonreciprocity was observed in the thermal spin signal. This provides clear evidence that a large spin-dependent Seebeck coefficient is more important than the spin polarization for efficient thermal spin injection and detection. We demonstrate that the spin-dependent Seebeck coefficient can be simply evaluated from the thermal spin signals for two configurations. Our experimental description paves a way for evaluating a small spin-dependent Seebeck coefficient for conventional ferromagnets without using complicated parameters.

Ultrafast dynamics of metal plasmons induced by 2D semiconductor excitons in hybrid nanostructure arrays

DOE PAGES

Boulesbaa, Abdelaziz; Babicheva, Viktoriia E.; Wang, Kai; ...

2016-11-17

With the advanced progress achieved in the field of nanotechnology, localized surface plasmons resonances (LSPRs) are actively considered to improve the efficiency of metal-based photocatalysis, photodetection, and photovoltaics. Here, we report on the exchange of energy and electric charges in a hybrid composed of a two-dimensional tungsten disulfide (2D-WS 2) monolayer and an array of aluminum (Al) nanodisks. Femtosecond pump-probe spectroscopy results indicate that within ~830 fs after photoexcitation of the 2D-WS 2 semiconductor, energy transfer from the 2D-WS 2 excitons excites the plasmons of the Al array. Then, upon the radiative and/or nonradiative damping of these excited plasmons, energymore » and/or electron transfer back to the 2D-WS 2 semiconductor takes place as indicated by an increase in the reflected probe at the 2D exciton transition energies at later time-delays. This simultaneous exchange of energy and charges between the metal and the 2D-WS 2 semiconductor resulted in an extension of the average lifetime of the 2D-excitons from ~15 to ~58 ps in absence and presence of the Al array, respectively. Furthermore, the indirectly excited plasmons were found to live as long as the 2D-WS 2 excitons exist. Furthermore, the demonstrated ability to generate exciton-plasmons coupling in a hybrid nanostructure may open new opportunities for optoelectronic applications such as plasmonic-based photodetection and photocatalysis.« less

Periodic nonlinear waves resulting from the contact interaction of a crack

NASA Astrophysics Data System (ADS)

Lee, Sang Eon; Jin, Suyeong; Hong, Jung-Wuk

2017-09-01

When two different inputs of distinct low and high frequencies are applied to a medium, the linear responses are composed of waves of two dominant frequencies. However, microcracks such as fatigue cracks generate nonlinear waves by modulating the characteristics of the incident waves. Although this phenomenon has been observed and used to detect microcracks, the underlying principles have not been thoroughly elucidated. The hysteresis properties were introduced to describe the nonlinear relationship between the stress and strain to explain these phenomena [Van Den Abeele et al., Res. Nondestruct. Eval. 12, 17 (2000) and Nazarov et al., Acoust. Phys. 49, 344 (2003)]. The generation of harmonics was explained by superimposing stress-strain relations that vary with crack width and excitation magnitude. As the crack depth increases, the ratio of magnitudes of the second harmonic to the first harmonic increases, but the increment becomes smaller [Kawashima et al., Ultrasonics 40, 611 (2002)]. Here, we show that the waves affected by the contact motion of the crack surfaces cultivate the nonlinearity in waveforms, resulting in high frequency off-band signals. With the hypothesis that the clapping of cracks might generate nonlinear components close to the high excitation frequency, we prove that the generation of the high frequency off-band peaks is directly affected by the clapping contact interaction of the crack surfaces. The amount of energy transmitted is closely related to the size of the crack width and the magnitudes of low and high frequency excitations.

Local residual stress monitoring of aluminum nitride MEMS using UV micro-Raman spectroscopy

DOE PAGES

Choi, Sukwon; Griffin, Benjamin A.

2016-01-06

Localized stress variation in aluminum nitride (AlN) sputtered on patterned metallization has been monitored through the use of UV micro-Raman spectroscopy. This technique utilizing 325 nm laser excitation allows detection of the AlN E2(high) phonon mode in the presence of metal electrodes beneath the AlN layer with a high spatial resolution of less than 400 nm. The AlN film stress shifted 400 MPa from regions where AlN was deposited over a bottom metal electrode versus silicon dioxide. Thus, across wafer stress variations were also investigated showing that wafer level stress metrology, for example using wafer curvature measurements, introduces large uncertaintiesmore » for predicting the impact of AlN residual stress on the device performance.« less

Electronic Excited States of Tungsten(0) Arylisocyanides.

PubMed

Kvapilová, Hana; Sattler, Wesley; Sattler, Aaron; Sazanovich, Igor V; Clark, Ian P; Towrie, Michael; Gray, Harry B; Záliš, Stanislav; Vlček, Antonín

2015-09-08

W(CNAryl)6 complexes containing 2,6-diisopropylphenyl isocyanide (CNdipp) are powerful photoreductants with strongly emissive long-lived excited states. These properties are enhanced upon appending another aryl ring, e.g., W(CNdippPh(OMe2))6; CNdippPh(OMe2) = 4-(3,5-dimethoxyphenyl)-2,6-diisopropylphenylisocyanide (Sattler et al. J. Am. Chem. Soc. 2015, 137, 1198-1205). Electronic transitions and low-lying excited states of these complexes were investigated by time-dependent density functional theory (TDDFT); the lowest triplet state was characterized by time-resolved infrared spectroscopy (TRIR) supported by density functional theory (DFT). The intense absorption band of W(CNdipp)6 at 460 nm and that of W(CNdippPh(OMe2))6 at 500 nm originate from transitions of mixed ππ*(C≡N-C)/MLCT(W → Aryl) character, whereby W is depopulated by ca. 0.4 e(-) and the electron-density changes are predominantly localized along two equatorial molecular axes. The red shift and intensity rise on going from W(CNdipp)6 to W(CNdippPh(OMe2))6 are attributable to more extensive delocalization of the MLCT component. The complexes also exhibit absorptions in the 300-320 nm region, owing to W → C≡N MLCT transitions. Electronic absorptions in the spectrum of W(CNXy)6 (Xy = 2,6-dimethylphenyl), a complex with orthogonal aryl orientation, have similar characteristics, although shifted to higher energies. The relaxed lowest W(CNAryl)6 triplet state combines ππ* excitation of a trans pair of C≡N-C moieties with MLCT (0.21 e(-)) and ligand-to-ligand charge transfer (LLCT, 0.24-0.27 e(-)) from the other four CNAryl ligands to the axial aryl and, less, to C≡N groups; the spin density is localized along a single Aryl-N≡C-W-C≡N-Aryl axis. Delocalization of excited electron density on outer aryl rings in W(CNdippPh(OMe2))6 likely promotes photoinduced electron-transfer reactions to acceptor molecules. TRIR spectra show an intense broad bleach due to ν(C≡N), a prominent transient upshifted by 60-65 cm(-1), and a weak down-shifted feature due to antisymmetric C≡N stretch along the axis of high spin density. The TRIR spectral pattern remains unchanged on the femtosecond-nanosecond time scale, indicating that intersystem crossing and electron-density localization are ultrafast (<100 fs).

The excitation and characteristic frequency of the long-period volcanic event: An approach based on an inhomogeneous autoregressive model of a linear dynamic system

USGS Publications Warehouse

Nakano, M.; Kumagai, H.; Kumazawa, M.; Yamaoka, K.; Chouet, B.A.

1998-01-01

We present a method to quantify the source excitation function and characteristic frequencies of long-period volcanic events. The method is based on an inhomogeneous autoregressive (AR) model of a linear dynamic system, in which the excitation is assumed to be a time-localized function applied at the beginning of the event. The tail of an exponentially decaying harmonic waveform is used to determine the characteristic complex frequencies of the event by the Sompi method. The excitation function is then derived by operating an AR filter constructed from the characteristic frequencies to the entire seismogram of the event, including the inhomogeneous part of the signal. We apply this method to three long-period events at Kusatsu-Shirane Volcano, central Japan, whose waveforms display simple decaying monochromatic oscillations except for the beginning of the events. We recover time-localized excitation functions lasting roughly 1 s at the start of each event and find that the estimated functions are very similar to each other at all the stations of the seismic network for each event. The phases of the characteristic oscillations referred to the estimated excitation function fall within a narrow range for almost all the stations. These results strongly suggest that the excitation and mode of oscillation are both dominated by volumetric change components. Each excitation function starts with a pronounced dilatation consistent with a sudden deflation of the volumetric source which may be interpreted in terms of a choked-flow transport mechanism. The frequency and Q of the characteristic oscillation both display a temporal evolution from event to event. Assuming a crack filled with bubbly water as seismic source for these events, we apply the Van Wijngaarden-Papanicolaou model to estimate the acoustic properties of the bubbly liquid and find that the observed changes in the frequencies and Q are consistently explained by a temporal change in the radii of the bubbles characterizing the bubbly water in the crack.

Luminescence properties of Al0.48In0.52As under hydrostatic pressure

NASA Astrophysics Data System (ADS)

Zhou, Hai-Ping; Sotomayor-Torres, Cliva M.

1992-07-01

The low-temperature photoluminescence (PL) and photoluminescence excitation (PLE) spectra characteristics of Al0.48In0.52As have been studied under high pressure from 1 bar up to 92 kbar. We have obtained, for the first time, the (Gamma) -(Chi) crossover critical pressure Pc (approximately 52.5 +/- 0.5 kbar), the linear pressure coefficients (alpha) (Gamma ) and (alpha) (Chi ) (7.9 meV/kbar and -2.9 meV/kbar, respectively) at helium temperature. By measuring temperature and excitation intensity dependences of the PL spectra together with the PLE spectra, we have demonstrated that the low-temperature luminescence of the Al0.48In0.52As is not excitonic but due to (D degree(s), A degree(s))transitions with a relatively deep acceptor of 68 meV, which occurs in both the direct- and indirect-band gap. We suggest that the shallow donor ground state associated with the (Chi) - and (Gamma) -conduction bands seem to be tied quite rigidly to these conduction bands. Variations in the donor binding energies with the pressure and the direct-indirect crossover seem to be minor.

Effects of Nanoparticulate Additives on Acoustically Coupled Fuel Droplet Combustion

NASA Astrophysics Data System (ADS)

Vargas, Andres; Plascencia, Miguel; Sim, Hyung Sub; Smith, Owen; Karagozian, Ann

2017-11-01

The present study investigates interactions between applied acoustic perturbations and burning ethanol droplets containing nano particulate additives. Reactive nanoscale aluminum (nAl) as well as inert silica (nSiO2), each with an 80 nm average diameter. Continuously-fed fuel droplet combustion experiments were conducted in the vicinity of a pressure node created in a closed acoustic waveguide, with a range of applied forcing frequencies, pressure or velocity perturbation amplitudes, and particle loading concentrations. Simultaneous phase-locked OH* chemiluminescence and high-speed visible imaging enabled quantification of the influences of nanoparticle concentration on burning rate constant K and combustion-acoustic coupling. Results indicated that nAl particles in ethanol yielded measurable increases in K with increasing applied perturbation amplitudes, as compared to pure ethanol in the presence of acoustic excitation. Droplets with nAl exposed to moderate acoustic excitation exhibited sustained combustion for much longer periods of time than for unforced conditions. Post analysis of particulate matter collected from residue via electron microscopy aids in interpreting these trends and findings. Supported by AFOSR Grant FA9550-15-1-0339.

Stimulated Emission of Terahertz Radiation from Internal ExcitonTransitions in Cu2O

NASA Astrophysics Data System (ADS)

Schmid, B. A.; Huber, R.; Shen, Y. R.; Kaindl, R. A.; Chemla, D. S.

2006-03-01

Excitons are among the most fundamental optical excitation modes in semiconductors. Resonant infrared pulses have been used to sensitively probe absorptive transitions between hydrogen-like bound pair states [1,2]. We report the first observation of the reverse quantum process: stimulated emission of electromagnetic radiation from intra-excitonic transitions [3]. Broadband terahertz pulses monitor the far-infrared electromagnetic response of Cu2O after ultrafast resonant photogeneration of 3p excitons. Stimulated emission from the 3p to the energetically lower 2s bound level occurs at a photon energy of 6.6 meV, with a cross section of ˜10-14 cm^2. Simultaneous excitation of both exciton levels, in turn, drives quantum beats which lead to efficient terahertz emission sharply peaked at the difference frequency. Our results demonstrate a new fundamental process of THz quantum optics and highlight analogies and differences between excitonic and atomic systems. [1] R. A. Kaindl et al., Nature 423, 734 (2003). [2] M. Kubouchi et al., Phys. Rev. Lett. 94, 016403 (2005). [3] R. Huber et al., Phys. Rev. Lett., to appear.

Assessment of the Global and Regional Land Hydrosphere and Its Impact on the Balance of the Geophysical Excitation Function of Polar Motion

NASA Astrophysics Data System (ADS)

Wińska, Małgorzata; Nastula, Jolanta; Kołaczek, Barbara

2016-02-01

The impact of continental hydrological loading from land water, snow and ice on polar motion excitation, calculated as hydrological angular momentum (HAM), is difficult to estimate, and not as much is known about it as about atmospheric angular momentum (AAM) and oceanic angular momentum (OAM). In this paper, regional hydrological excitations to polar motion are investigated using monthly terrestrial water storage data derived from the Gravity Recovery and Climate Experiment (GRACE) mission and from the five models of land hydrology. The results show that the areas where the variance shows large variability are similar for the different models of land hydrology and for the GRACE data. Areas which have a small amplitude on the maps make an important contribution to the global hydrological excitation function of polar motion. The comparison of geodetic residuals and global hydrological excitation functions of polar motion shows that none of the hydrological excitation has enough energy to significantly improve the agreement between the observed geodetic excitation and geophysical ones.

Vertical profiles of Mars 1.27 μm O2 dayglow from MRO CRISM limb spectra: Seasonal/global behaviors, comparisons to LMDGCM simulations, and a global definition for Mars water vapor profiles

NASA Astrophysics Data System (ADS)

Todd Clancy, R.; Smith, Michael D.; Lefèvre, Franck; McConnochie, Timothy H.; Sandor, Brad J.; Wolff, Michael J.; Lee, Steven W.; Murchie, Scott L.; Toigo, Anthony D.; Nair, Hari; Navarro, Thomas

2017-09-01

Since July of 2009, The Compact Reconnaissance Imaging Spectral Mapper (CRISM) onboard the Mars Reconnaissance Orbiter (MRO) has periodically obtained pole-to-pole observations (i.e., full MRO orbits) of limb scanned visible/near IR spectra (λ = 0.4 - 4.0 μ m, △λ ∼ 10 nm- Murchie et al., 2007). These CRISM limb observations support the first seasonally and spatially extensive set of Mars 1.27 μm O2(1△g) dayglow profile retrievals (∼ 1100) over ≥ 8-80 km altitudes. Their comparison to Laboratoire de Météorologie Dynamique (LMD) global climate model (GCM) simulated O2(1△g) volume emission rate (VER) profiles, as a function of altitude, latitude, and season (solar longitude, Ls), supports several key conclusions regarding Mars atmospheric water vapor (which is derived from O2(1△g) emission rates), Mars O3, and the collisional de-excitation of O2(1△g) in the Mars CO2 atmosphere. Current (Navarro et al., 2014) LMDGCM simulations of Mars atmospheric water vapor fall 2-3 times below CRISM derived water vapor abundances at 20-40 km altitudes over low-to-mid latitudes in northern spring (Ls = 30-60°), and northern mid-to-high latitudes over northern summer (Ls = 60-140°). In contrast, LMDGCM simulated water vapor is 2-5 times greater than CRISM derived values at all latitudes and seasons above 40 km, within the aphelion cloud belt (ACB), and over high-southern to mid-southern latitudes in southern summer (Ls = 190-340°) at 15-35 km altitudes. Overall, the solstitial summer-to-winter hemisphere gradients in water vapor are reversed between the LMDGCM modeled versus the CRISM derived water vapor abundances above 10-30 km altitudes. LMDGCM-CRISM differences in water vapor profiles correlate with LMDGCM-CRISM differences in cloud mixing profiles; and likely reflect limitations in simulating cloud microphysics and radiative forcing, both of which restrict meridional transport of water from summer-to-winter hemispheres on Mars (Clancy et al., 1996; Montmessin et al., 2004; Steele et al., 2014; Navarro et al., 2014) and depend on uncertain cloud microphysical properties (Navarro et al., 2014). The derived low-to-mid latitude changes in Mars water vapor vertical distributions should reduce current model-data disagreements in column O3 and H2O2 abundances over low-to-mid latitudes (e.g., within the ACB; Lefèvre et al., 2008; Encrenaz et al., 2015; Clancy et al., 2016). Lastly, the global/seasonal average comparison of CRISM and LMDGCM O2(1△g) VER below 20 km altitudes indicates a factor of ∼3 times lower value (0.25 ×10-20 cm3sec-1) for the CO2 collisional de-excitation rate coefficient of O2(1△g) than derived recently by Guslyakova et al. (2016).

Properties of bosons in a one-dimensional bichromatic optical lattice in the regime of the pinning transition: A worm-algorithm Monte Carlo study

NASA Astrophysics Data System (ADS)

Sakhel, Asaad R.

2016-09-01

The sensitivity of the pinning transition (PT) as described by the sine-Gordon model of strongly interacting bosons confined in a shallow, one-dimensional, periodic optical lattice (OL), is examined against perturbations of the OL. The PT has been recently realized experimentally by Haller et al. [Nature (London) 466, 597 (2010), 10.1038/nature09259] and is the exact opposite of the superfluid-to-Mott-insulator transition in a deep OL with weakly interacting bosons. The continuous-space worm-algorithm (WA) Monte Carlo method [Boninsegni et al., Phys. Rev. E 74, 036701 (2006), 10.1103/PhysRevE.74.036701] is applied for the present examination. It is found that the WA is able to reproduce the PT, which is another manifestation of the power of continuous-space WA methods in capturing the physics of phase transitions. In order to examine the sensitivity of the PT, it is tweaked by the addition of the secondary OL. The resulting bichromatic optical lattice (BCOL) is considered with a rational ratio of the constituting wavelengths λ1 and λ2 in contrast to the commonly used irrational ratio. For a weak BCOL, it is chiefly demonstrated that this PT is robust against the introduction of a weaker, secondary OL. The system is explored numerically by scanning its properties in a range of the Lieb-Liniger interaction parameter γ in the regime of the PT. It is argued that there should not be much difference in the results between those due to an irrational ratio λ1/λ2 and those due to a rational approximation of the latter, bringing this in line with a recent statement by Boers et al. [Phys. Rev. A 75, 063404 (2007), 10.1103/PhysRevA.75.063404]. The correlation function, Matsubara Green's function (MGF), and the single-particle density matrix do not respond to changes in the depth of the secondary OL V1. For a stronger BCOL, however, a response is observed because of changes in V1. In the regime where the bosons are fermionized, the MGF reveals that hole excitations are favored over particle excitations manifesting that holes in the PT regime play an important role in the response of properties to changes in γ .

Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree–Fock and density functional theory via linear response

DOE PAGES

Yanai, Takeshi; Fann, George I.; Beylkin, Gregory; ...

2015-02-25

Using the fully numerical method for time-dependent Hartree–Fock and density functional theory (TD-HF/DFT) with the Tamm–Dancoff (TD) approximation we use a multiresolution analysis (MRA) approach to present our findings. From a reformulation with effective use of the density matrix operator, we obtain a general form of the HF/DFT linear response equation in the first quantization formalism. It can be readily rewritten as an integral equation with the bound-state Helmholtz (BSH) kernel for the Green's function. The MRA implementation of the resultant equation permits excited state calculations without virtual orbitals. Moreover, the integral equation is efficiently and adaptively solved using amore » numerical multiresolution solver with multiwavelet bases. Our implementation of the TD-HF/DFT methods is applied for calculating the excitation energies of H 2, Be, N 2, H 2O, and C 2H 4 molecules. The numerical errors of the calculated excitation energies converge in proportion to the residuals of the equation in the molecular orbitals and response functions. The energies of the excited states at a variety of length scales ranging from short-range valence excitations to long-range Rydberg-type ones are consistently accurate. It is shown that the multiresolution calculations yield the correct exponential asymptotic tails for the response functions, whereas those computed with Gaussian basis functions are too diffuse or decay too rapidly. Finally, we introduce a simple asymptotic correction to the local spin-density approximation (LSDA) so that in the TDDFT calculations, the excited states are correctly bound.« less

Excited State Charge Transfer reaction with dual emission from 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile: Spectral measurement and theoretical density functional theory calculation

NASA Astrophysics Data System (ADS)

Jana, Sankar; Dalapati, Sasanka; Ghosh, Shalini; Kar, Samiran; Guchhait, Nikhil

2011-07-01

The excited state intramolecular charge transfer process in donor-chromophore-acceptor system 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile (DMAPPDN) has been investigated by steady state absorption and emission spectroscopy in combination with Density Functional Theory (DFT) calculations. This flexible donor acceptor molecule DMAPPDN shows dual fluorescence corresponding to emission from locally excited and charge transfer state in polar solvent. Large solvatochromic emission shift, effect of variation of pH and HOMO-LUMO molecular orbital pictures support excited state intramolecular charge transfer process. The experimental findings have been correlated with the calculated structure and potential energy surfaces based on the Twisted Intramolecular Charge Transfer (TICT) model obtained at DFT level using B3LYP functional and 6-31+G( d, p) basis set. The theoretical potential energy surfaces for the excited states have been generated in vacuo and acetonitrile solvent using Time Dependent Density Functional Theory (TDDFT) and Time Dependent Density Functional Theory Polarized Continuum Model (TDDFT-PCM) method, respectively. All the theoretical results show well agreement with the experimental observations.

Time-dependent density-functional tight-binding method with the third-order expansion of electron density

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

Nishimoto, Yoshio, E-mail: nishimoto.yoshio@fukui.kyoto-u.ac.jp

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of themore » third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.« less

Time-dependent density-functional tight-binding method with the third-order expansion of electron density.

PubMed

Nishimoto, Yoshio

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

Reply to Janoschek et al.: The excited δ-phase of plutonium

DOE PAGES

Migliori, Albert; Söderlind, Per; Landa, Alexander; ...

2017-01-10

In a recent PNAS paper (1) we discuss the anomalous temperature dependence of the elasticity in δ-plutonium (δ-Pu) in terms of a first-principles model that includes multiple energy configurations attributed to spin fluctuations. We think it is obvious that conclusions from the earlier experimental report (6) are inconsistent with the latest neutron-scattering experiments (4), as well as comments made in Janoschek et al. (2)

Reply to Janoschek et al.: The excited δ-phase of plutonium

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

Migliori, Albert; Söderlind, Per; Landa, Alexander

In a recent PNAS paper (1) we discuss the anomalous temperature dependence of the elasticity in δ-plutonium (δ-Pu) in terms of a first-principles model that includes multiple energy configurations attributed to spin fluctuations. We think it is obvious that conclusions from the earlier experimental report (6) are inconsistent with the latest neutron-scattering experiments (4), as well as comments made in Janoschek et al. (2)

Room temperature spin diffusion in (110) GaAs/AlGaAs quantum wells

PubMed Central

2011-01-01

Transient spin grating experiments are used to investigate the electron spin diffusion in intrinsic (110) GaAs/AlGaAs multiple quantum well at room temperature. The measured spin diffusion length of optically excited electrons is about 4 μm at low spin density. Increasing the carrier density yields both a decrease of the spin relaxation time and the spin diffusion coefficient Ds. PMID:21711662

High-Temperature Thermometer Using Cr-Doped GdAlO3 Broadband Luminescence

NASA Technical Reports Server (NTRS)

Eldridge, Jeffrey; Chambers, Matthew

2011-01-01

A new concept has been developed for a high-temperature luminescence-based optical thermometer that both shows the desired temperature sensitivity in the upper temperature range of present state-of-the-art luminescence thermometers (above 1,300 C), while maintaining substantial stronger luminescence signal intensity that will allow these optical thermometers to operate in the presence of the high thermal background radiation typical of industrial applications. This objective is attained by using a Cr-doped GdAlO3 (Cr:GdAlO3) sensor with an orthorhombic perovskite structure, resulting in broadband luminescence that remains strong at high temperature due to the favorable electron energy level spacing of Cr:GdAlO3. The Cr:GdAlO3 temperature (and pressure) sensor can be incorporated into, or applied onto, a component s surface when a non-contact surface temperature measurement is desired, or alternatively, the temperature sensor can be attached to the end of a fiber-optic probe that can then be positioned at the location where the temperature measurement is desired. In the case of the fiber-optic probe, both the pulsed excitation and the luminescence emission travel through the fiber-optic light guide. In either case, a pulsed light source provides excitation of the luminescence, and the broadband luminescence emission is collected. Real-time temperature measurements are obtain ed using a least-squares fitting algorithm that determines the luminescence decay time, which has a known temperature dependence established by calibration. Due to the broad absorption and emission bands for Cr:GdAlO3, there is considerable flexibility in the choice of excitation wavelength and emission wavelength detection bands. The strategic choice of the GdAlO3 host is based on its high crystal field, phase stability, and distorted symmetry at the Cr3+ occupation sites. The use of the broadband emission for temperature sensing at high temperatures is a key feature of the invention and is novel since broadband luminescence emission normally shows severe thermal quenching. The tightly bound AlO6 octahedra in GdAlO3 results in a larger energy barrier to nonradiative decays than in other materials and therefore makes using broadband emission for temperature sensing possible at high temperatures. This approach results in a substantial increase in temperature capability. For example, the most commonly used Cr-doped crystal used for luminescence-based temperature measurements, ruby, has only been demonstrated up to 600 C, whereas the Cr:GdAlO3 optical thermometer under development has already been shown to exhibit useful luminescence up to 1,300 C. Because GdAlO3 is non-reactive and is stable in harsh, high-temperature environments, sensors composed of Cr:GdAlO3 will be very well suited for remote high-temperature measurements in engine or industrial environments where its intense high-temperature luminescence will stand out above significant thermal radiation background levels.

Equation of motion approach for describing allowed transitions in Ne and Al3+ under classical and quantum plasmas

NASA Astrophysics Data System (ADS)

Chaudhuri, Supriya K.; Mukherjee, Prasanta K.; Chaudhuri, Rajat K.; Chattopadhyay, Sudip

2018-04-01

The equation of motion coupled cluster methodology within relativistic framework has been applied to analyze the electron correlation effects on the low lying dipole allowed excited states of Ne and Al3+ under classical and quantum plasma environments. The effect of confinement due to classical plasma has been incorporated through screened Coulomb potential, while that of quantum plasma has been treated by exponential cosine screened Coulomb potential. The confined structural properties investigated are the depression of ionization potential, low lying excitation energies (dipole allowed), oscillator strengths, transition probabilities, and frequency dependent polarizabilities under systematic variation of the plasma-atom coupling strength determined through the screening parameter. Specific atomic systems are chosen for their astrophysical importance and availability of experimental data related to laboratory plasma with special reference to Al3+ ion. Here, we consider 1 s22 s22 p6(1S0)→1 s22 s22 p5 n s /n d (1P1) (n =3 ,4 ) dipole allowed transitions of Ne and Al3+. Results for the free (isolated) atomic systems agree well with those available in the literature. Spectroscopic properties under confinement show systematic and interesting pattern with respect to plasma screening parameter.

The Physics Inside our Brain. Comment on "Topodynamics of Metastable Brains" by Arturo Tozzi et al.

NASA Astrophysics Data System (ADS)

Garreffa, Girolamo

2017-07-01

The explanation of brain function in rational and objective terms is absolutely the most difficult challenge of all times and is continuously stimulated by a rooted instinct of knowledge. Humans, since their early forms of structured ;organization; of mental processes, improved more and more their communication attempts and ability to share perceptions and emotions and language (in any form) was the first basic instrument to assess externally in some way a sort of end result of above mentioned mental processes. How this ;abstract organizing entity; is and how it works we are still studying and debating, with exciting results and with increasingly consideration of philosophical thinking of the past and of our times (Aristotle, Kant, Hegel, Russel).

Three-phase double-arc plasma for spectrochemical analysis of environmental samples.

PubMed

Mohamed, M M; Ghatass, Z F; Shalaby, E A; Kotb, M M; El-Raey, M

2000-12-01

A new instrument, which uses a three-phase current to support a double-arc argon plasma torch for evaporation, atomization and excitation of solid or powder samples, is described. The sampling arc is ignited between the first and second electrode while the excitation arc is ignited between the second and third electrode. Aerosol generated from the sample (first electrode) is swept by argon gas, through a hole in the second electrode (carbon tubing electrode), into the excitation plasma. A tangential stream of argon gas is introduced through an inlet orifice as a coolant gas for the second electrode. This gas stream forces the excitation arc discharge to rotate reproducibly around the electrode surface. Discharge rotation increases the stability of the excitation plasma. Spectroscopic measurements are made directly in the current-carrying region of the excitation arc. An evaluation of each parameter influencing the device performance was performed. Analytical calibration curves were obtained for Fe, Al, K, and Pb. Finally, the present technique was applied for the analysis of environmental samples. The present method appears to have significant, low cost analytical utility for environmental measurements.

On the populating mechanisms of the autoionising states of Al III ions produced in a Penning ionisation discharge

NASA Technical Reports Server (NTRS)

Finkenthal, M.; Littman, A.; Stutman, D.; Bhatia, A. K.

1989-01-01

Spectra emitted by Al II and Al III in the 100-1900-A range from a Penning ionization discharge (PID) have been analyzed in order to study the populating mechanisms of the autoionizing levels of the Al III ion. Electron temperature and density estimates and Al III line intensities obtained using a collisional-radiative model are found to differ from those obtained experimentally, implying that the autoionizing levels of the Na I-like ion may be populated, in the PID plasma, by the inner-shell ionization of excited Mg I-like ions. It is suggested that such autoionizing lines could be used to search for populations inversions in the soft X-ray domain.

Erythrocyte Osmotic Fragility and Excitability Score in Rabbit fed Hibiscus Sabdariffa in Graded Level.

PubMed

Adenkola, A Y; Oluremi, O I A

2014-12-29

This study was conducted for 10 weeks with the aim of investigating the erythrocyte membrane integrity as measured by erythrocyte osmotic fragility and excitability scores of rabbits fed graded level of Hibiscus sabdariffa calyx (HSC). Twenty weaners' rabbit of both sexes were used for the study and were placed on four experimental diets which contain the following percentages of HSC 0 %, 25 %, 50 %, 75 %, as feed additive and were added at 0 g, 62.5 g, 125 g, 187.5 g designated as T1, T2, T3 and T4 experimental diets. Excitability scores were measured weekly as described by Voisnet et al. (1997). At the end of the experiment, the rabbits were slaughtered by severing the jugular vein. A Blood sample (2 ml) was collected from each rabbit into sampled bottles, containing the Na EDTA as anticoagulant for hematological analysis. Packed cell volume (PCV) Haemoglobin concentration (Hb), Total red blood cell (RBC) count, Total leukocyte count as well as differential leukocyte was determined using standard method. The percentage haemolysis recorded at 0.3 % to 0.8 % was significantly (P < 0.05) higher in rabbits in T1 compared to the remaining 3 diets. The result of excitability score shows that rabbit on diet 1 and 2 had a lower value which was significantly (P < 0.05) lower than rabbits on diets 3 and 4 with a value of 65.5 ± 5.0 and 70.00 ± 5.50 % respectively. In conclusion this study demonstrated for the first time that chronic administration of HSC improves haematological parameters, brain mood and function as well as maintaining erythrocyte membrane integrity.

Electron kinetics dependence on gas pressure in laser-induced oxygen plasma experiment: Theoretical analysis

NASA Astrophysics Data System (ADS)

Gamal, Yosr E. E.-D.; Abdellatif, Galila

2017-08-01

A study is performed to investigate the dependency of threshold intensity on gas pressure observed in the measurements of the breakdown of molecular oxygen that carried out by Phuoc (2000) [1]. In this experiment, the breakdown was induced by 532 nm laser radiation of pulse width 5.5 ns and spot size of 8.5 μm, in oxygen over a wide pressure range (190-3000 Torr). The analysis aimed to explore the electron kinetic reliance on gas pressure for the separate contribution of each of the gain and loss processes encountered in this study. The investigation is based on an electron cascade model applied previously in Gamal and Omar (2001) [2] and Gaabour et al. (2013) [3]. This model solves numerically a differential equation designates the time evolution of the electron energy distribution, and a set of rate equations that describe the change of excited states population. The numerical examination of the electron energy distribution function and its parameters revealed that photo-ionization of the excited molecules plays a significant role in enhancing the electron density growth rate over the whole tested gas pressure range. This process is off set by diffusion of electrons out of the focal volume in the low-pressure regime. At atmospheric pressure electron, collisional processes dominate and act mainly to populate the excited states. Hence photo-ionization becomes efficient and compete with the encountered loss processes (electron diffusion, vibrational excitation of the ground state molecules as well as two body attachments). At high pressures ( 3000 Torr) three body attachments are found to be the primary cause of losses which deplete the electron density and hence results in the slow decrease of the threshold intensity.

Similar GABAergic inputs in dentate granule cells born during embryonic and adult neurogenesis.

PubMed

Laplagne, Diego A; Kamienkowski, Juan E; Espósito, M Soledad; Piatti, Verónica C; Zhao, Chunmei; Gage, Fred H; Schinder, Alejandro F

2007-05-01

Neurogenesis in the dentate gyrus of the hippocampus follows a unique temporal pattern that begins during embryonic development, peaks during the early postnatal stages and persists through adult life. We have recently shown that dentate granule cells born in early postnatal and adult mice acquire a remarkably similar afferent connectivity and firing behavior, suggesting that they constitute a homogeneous functional population [Laplagne et al. (2006)PLoS Biol., 4, e409]. Here we extend our previous study by comparing mature neurons born in the embryonic and adult hippocampus, with a focus on intrinsic membrane properties and gamma-aminobutyric acid (GABA)ergic synaptic inputs. For this purpose, dividing neuroblasts of the ventricular wall were retrovirally labeled with green fluorescent protein at embryonic day 15 (E15), and progenitor cells of the subgranular zone were labeled with red fluorescent protein in the same mice at postnatal day 42 (P42, adulthood). Electrophysiological properties of mature neurons born at either stage were then compared in the same brain slices. Evoked and spontaneous GABAergic postsynaptic responses of perisomatic and dendritic origin displayed similar characteristics in both neuronal populations. Miniature GABAergic inputs also showed similar functional properties and pharmacological profile. A comparative analysis of the present data with our previous observations rendered no significant differences among GABAergic inputs recorded from neurons born in the embryonic, early postnatal and adult mice. Yet, embryo-born neurons showed a reduced membrane excitability, suggesting a lower engagement in network activity. Our results demonstrate that granule cells of different age, location and degree of excitability receive GABAergic inputs of equivalent functional characteristics.

Multichannel Luminescence Properties of Mixed-Valent Eu2+/Eu3+ Coactivated SrAl3BO7 Nanocrystalline Phosphors for Near-UV LEDs.

PubMed

Liu, Xiaoming; Xie, Weijie; Lü, Ying; Feng, Jingchun; Tang, Xinghua; Lin, Jun; Dai, Yuhua; Xie, Yu; Yan, Liushui

2017-11-20

Up to now, orchestrating the coexistence of Eu 2+ and Eu 3+ activators in a single host lattice has been an extremely difficult task, especially for the appearance of the characteristic emission of Eu 2+ and Eu 3+ in order to generate white light. Nevertheless, here we demonstrate a new Eu 2+ /Eu 3+ coactivated SrAl 3 BO 7 nanocrystalline phosphor with abundant and excellent multichannel luminescence properties. A series of Eu 2+ /Eu 3+ coactivated SrAl 3 BO 7 nanocrystalline phosphors were prepared through a Pechini-type sol-gel method followed by a reduction process. With excitation of UV/NUV light, the prepared SrAl 3 BO 7 :Eu 2+ ,Eu 3+ phosphors show not only the characteristic f-f transitions of Eu 3+ ion ( 5 D J → 7 F J,J' , J, J' = 0-3), but also the 5d → 4f transitions of Eu 2+ ion with comparable intensity from 400 to 700 nm in the whole visible spectral region. The luminescence color of the SrAl 3 BO 7 :Eu 2+ ,Eu 3+ phosphor can be tuned from blue, blue-green, white, and orange to orange-red by changing the excitation wavelength, the overall doping concentration of europium ions (Eu 2+ , Eu 3+ ), and the relative ratio of Eu 2+ to Eu 3+ ions to some extent. A single-phase white-light emission has been realized in SrAl 3 BO 7 :Eu 2+ ,Eu 3+ phosphor. The obtained SrAl 3 BO 7 :Eu 2+ ,Eu 3+ phosphor has potential application in the area of NUV white-light-emitting diodes.

Experimental Design and Data Analysis Issues Contribute to Inconsistent Results of C-Bouton Changes in Amyotrophic Lateral Sclerosis.

PubMed

Dukkipati, S Shekar; Chihi, Aouatef; Wang, Yiwen; Elbasiouny, Sherif M

2017-01-01

The possible presence of pathological changes in cholinergic synaptic inputs [cholinergic boutons (C-boutons)] is a contentious topic within the ALS field. Conflicting data reported on this issue makes it difficult to assess the roles of these synaptic inputs in ALS. Our objective was to determine whether the reported changes are truly statistically and biologically significant and why replication is problematic. This is an urgent question, as C-boutons are an important regulator of spinal motoneuron excitability, and pathological changes in motoneuron excitability are present throughout disease progression. Using male mice of the SOD1-G93A high-expresser transgenic ( G93A ) mouse model of ALS, we examined C-boutons on spinal motoneurons. We performed histological analysis at high statistical power, which showed no difference in C-bouton size in G93A versus wild-type motoneurons throughout disease progression. In an attempt to examine the underlying reasons for our failure to replicate reported changes, we performed further histological analyses using several variations on experimental design and data analysis that were reported in the ALS literature. This analysis showed that factors related to experimental design, such as grouping unit, sampling strategy, and blinding status, potentially contribute to the discrepancy in published data on C-bouton size changes. Next, we systematically analyzed the impact of study design variability and potential bias on reported results from experimental and preclinical studies of ALS. Strikingly, we found that practices such as blinding and power analysis are not systematically reported in the ALS field. Protocols to standardize experimental design and minimize bias are thus critical to advancing the ALS field.

M1 excitation in Sm isotopes and the proton-neutron sdg interacting boson model

NASA Astrophysics Data System (ADS)

Mizusaki, Takahiro; Otsuka, Takaharu; Sugita, Michiaki

1991-10-01

The magnetic-dipole scissors mode in spherical to deformed Sm isotopes is studied in terms of the proton-neutron sdg interacting boson model, providing a good agreement with recent experiment by Ziegler et al. The present calculation correctly reproduces the increase of M1 excitation strength in going from spherical to deformed nuclei. It is suggested that there may be 1+ states which do not correspond to the scissors mode but absorb certain M1 strength from the ground state.

Efficient excitation of nonlinear phonons via chirped pulses: Induced structural phase transitions

NASA Astrophysics Data System (ADS)

Itin, A. P.; Katsnelson, M. I.

2018-05-01

Nonlinear phononics play important role in strong laser-solid interactions. We discuss a dynamical protocol for efficient phonon excitation, considering recent inspiring proposals: inducing ferroelectricity in paraelectric perovskites, and inducing structural deformations in cuprates [Subedi et al., Phys. Rev. B 89, 220301(R) (2014), 10.1103/PhysRevB.89.220301; Phys. Rev. B 95, 134113 (2017), 10.1103/PhysRevB.95.134113]. High-frequency phonon modes are driven by midinfrared pulses, and coupled to lower-frequency modes those indirect excitations cause structural deformations. We study in more detail the case of KTaO3 without strain, where it was not possible to excite the needed low-frequency phonon mode by resonant driving of the higher frequency one. Behavior of the system is explained using a reduced model of coupled driven nonlinear oscillators. We find a dynamical mechanism which prevents effective excitation at resonance driving. To induce ferroelectricity, we employ driving with sweeping frequency, realizing so-called capture into resonance. The method can be applied to many other related systems.

Evaluating Different Scenarios for the Formation and Early Evolution of the Asteroid Belt

NASA Astrophysics Data System (ADS)

O'Brien, David P.; Walsh, Kevin J.

2014-11-01

The asteroid belt is dynamically excited, depleted in mass relative to the surface mass density of the rest of the Solar System, and contains numerous diverse taxonomic classes of asteroids that are partly, but not completely, radially mixed. In the 'classical' scenario of Solar System formation, the excitation, depletion and radial mixing of the asteroid belt is best explained by the effect of planetary embryos that are initially present in the primordial asteroid belt region [1-3]. In the more recent 'Grand Tack' scenario proposed by Walsh et al. [4], the early inward-then-outward migration of Jupiter in the gas disk initially depletes, then repopulates the asteroid belt with material scattered from both interior and exterior to Jupiter. Here we will examine in detail the model asteroid distributions resulting from these two scenarios for a range of parameters, and compare them to observational constraints on the current distribution of asteroids in the Solar System. We will also address the possible effects that late-stage planetesimal-driven migration and resonance-crossing of Jupiter and Saturn in the Nice Model [eg. 5,6] may have on the final asteroid distribution.[1] G.W. Wetherill, Icarus 100, 307-325 (1992)[2] J.-M. Petit et al., Icarus 153, 338-347 (2001)[3] D.P. O'Brien t al., Icarus 191, 434-452 (2007)[4] K.J. Walsh et al., Nature 475, 206-209 (2011)[5] K. Tsiganis et al., Nature 435, 459-461 (2005)[6] A. Morbidelli et al., AJ 140, 1391-1401 (2010)

Differences in photoluminescence properties and thermal degradation between nanoparticle and bulk particle BaMgAl10O17:Eu2+ phosphors under UV?VUV irradiation.

PubMed

Liu, Bitao; Xin, Shuangyu; Li, Fenghua; Zhang, Jiachi; Wang, Yuhua

2014-05-01

BaMgAl10O17:Eu2+ (BAM) phosphors used for plasma display panels and three-band fluorescence lamps are exposed to an oxidizing environment at about 500 degrees C, which is currently unavoidable in actual applications. We investigated the mechanism of the luminance degradation of BAM caused by annealing at 500 degrees C based on the difference in luminance degradation of bulk particle and nanoparticle samples under various excitation source irradiations. When the samples were excited by the different light sources, more than 30% degradation of luminance occurred under 147 nm while less than 10% degradation occurred under 254 nm both for nanoparticle and bulk particle samples. In addition, the luminescence degradation of nanophosphors shows a different tendency compared to the bulk phosphors. With a model based on the particle size and excitation light penetration depth, we demonstrate that the degradation is still mainly ascribed to the oxidized of divalent Eu. The differences in luminescence properties between nanophosphors and bulk phosphors are also illustrated by this model. As a result, the potential industrial applications of nanophosphors are evaluated.

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

Hatakeyama, R.; Hershkowitz, N.; Majeski, R.

A comparison of phenomenological features of plasmas is made with a special emphasis on radio-frequency induced transport, which are maintained when a set of two closely spaced dual half-turn antennas in a central cell of the Phaedrus-B axisymmetric tandem mirror [J. J. Browning {ital et al.}, Phys. Fluids B {bold 1}, 1692 (1989)] is phased to excite electromagnetic fields in the ion cyclotron range of frequencies (ICRF) with m={minus}1 (rotating with ions) and m=+1 (rotating with electrons) azimuthal modes. Positive and negative electric currents are measured to flow axially to the end walls in the cases of m={minus}1 and m=+1more » excitations, respectively. These parallel nonambipolar ion and electron fluxes are observed to be accompanied by azimuthal ion flows in the same directions as the antenna-excitation modes m. The phenomena are argued in terms of radial particle fluxes due to a nonambipolar transport mechanism [Hojo and Hatori, J. Phys. Soc. Jpn. {bold 60}, 2510 (1991); Hatakeyama {ital et al.}, J. Phys. Soc. Jpn. {bold 60}, 2815 (1991), and Phys. Rev. E {bold 52}, 6664 (1995)], which are induced when azimuthally traveling ICRF waves are absorbed in the magnetized plasma column. {copyright} {ital 1997 American Institute of Physics.}« less

Intermediate energy cross sections for electron-impact vibrational-excitation of pyrimidine

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

Jones, D. B.; Ellis-Gibbings, L.; García, G.

2015-09-07

We report differential cross sections (DCSs) and integral cross sections (ICSs) for electron-impact vibrational-excitation of pyrimidine, at incident electron energies in the range 15–50 eV. The scattered electron angular range for the DCS measurements was 15°–90°. The measurements at the DCS-level are the first to be reported for vibrational-excitation in pyrimidine via electron impact, while for the ICS we extend the results from the only previous condensed-phase study [P. L. Levesque, M. Michaud, and L. Sanche, J. Chem. Phys. 122, 094701 (2005)], for electron energies ⩽12 eV, to higher energies. Interestingly, the trend in the magnitude of the lower energymore » condensed-phase ICSs is much smaller when compared to the corresponding gas phase results. As there is no evidence for the existence of any shape-resonances, in the available pyrimidine total cross sections [Baek et al., Phys. Rev. A 88, 032702 (2013); Fuss et al., ibid. 88, 042702 (2013)], between 10 and 20 eV, this mismatch in absolute magnitude between the condensed-phase and gas-phase ICSs might be indicative for collective-behaviour effects in the condensed-phase results.« less

System and method for characterizing voiced excitations of speech and acoustic signals, removing acoustic noise from speech, and synthesizing speech

DOEpatents

Burnett, Greg C.; Holzrichter, John F.; Ng, Lawrence C.

2002-01-01

Low power EM waves are used to detect motions of vocal tract tissues of the human speech system before, during, and after voiced speech. A voiced excitation function is derived. The excitation function provides speech production information to enhance speech characterization and to enable noise removal from human speech.

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.

On the Non-Equilibrium Population Distribution of E-Methanol in Dark Clouds

NASA Astrophysics Data System (ADS)

Wollman, Emma

2007-12-01

The goal of this project was to determine the typical distribution of rotational level populations in the k=0 ladder of E-methanol in dark clouds in order to provide another observational test for theoretical models of pumping. We used our own observations of several sources with the 12-m ARO telescope on Kitt Peak as well as the published observational results by Slysh et al. (1999). The relative level populations (excitation temperatures) were determined from the measured intensity ratios of a series of the J(0)-J(-1) transitions of E-methanol under the assumption of spontaneous, optically thin emission. We observed the J(0)-J(-1) lines in six sources: W75N, DR21N, DR21, and three positions at DR21OH. The J=1 to J=5 lines were observed for all sources and the J=7 line was observed for W75N, DR21N, and one position in DR21OH. We also used Slysh et al.'s results for the J=1 through 4 lines in 52 sources, for the J=5 line in 50 sources, for the J=6 line in 15 sources, and for the J=7 and 8 lines in 2 sources. We determined the excitation temperatures of the involved levels in the k=0 ladder relative to the 1(0) level for each source and averaged the results over the sources. The average excitation temperatures demonstrate strong evidence of overcooling in the k=0 ladder - the excitation temperature increases linearly with increasing energy, from 8 K to 35 K. Our observations confirm this tendency of overcooling. We will discuss the agreement of these results with the predictions of the current models of methanol pumping. The author thanks the technical staff of the 12-m ARO telescope for help with the observations. This project was supported by the NSF/REU grant AST-0354056 and the Nantucket Maria Mitchell Association.

GaSb/AlGaSb VCSEL structures and microcavities in the 1.5 μm wavelength range

NASA Astrophysics Data System (ADS)

Koeth, J.; Dietrich, R.; Reithmaier, J. P.; Forchel, A.

Vertical cavity surface emitting laser structures for 1.5 μm wavelength applications were realized by growing AlSb/AlGaSb Bragg mirrors on GaAs substrates with solid source molecular beam epitaxy. Due to the high refractive index contrast between GaSb and AlSb high quality resonators can be made by only 15 layer pairs for each Bragg mirror. Laser operation could be demonstrated by optical pumping with threshold excitation densities of about 500 W/cm2. In laterally deeply etched microcavities with diameters of 5 μm a clear discretization of the optical modes was observed. The lateral confinement effects are compared with results of AlAs/GaAs microcavities designed for 0.9 μm emission wavelength. Due to the longer wavelength a stronger confinement effect can be achieved in AlSb/AlGaSb microcavities for the same lateral dimensions.

Commission of a new 2-color laser-synchrotron COLTRIMS experiment

NASA Astrophysics Data System (ADS)

Gatton, A.; Larsen, K.; Champenois, E.; Shivaram, N.; Bakhti, S.; Iskander, W.; Sievert, T.; Reedy, D.; Weller, M.; Williams, J. B.; Landers, A.; Weber, Th.

2017-04-01

We present the technical scheme of a new 2-color laser + synchrotron Cold Target Recoil Ion Momentum Spectrometer (COLTRIMS) experiment in which we overlap a pulsed IR laser (1 MHz , 1030 nm , 12 ps , 5 *1011 W / cm2) with XUV light from beamline 10.0.1 (3 MHz , 18 . 56 eV , 80 ps , 50 meV resolution) at the Advanced Light Source (ALS) at Lawrence Berkeley National Lab. We discuss the experimental methods for overlapping in 3D the co-linear ALS beam (80 um × 100 um) with the laser beam focus (50 um × 50 um) inside the gas jet target with a horizontal length and depth of 1 mm , as well as the timing scheme for achieving sub nanosecond stable synchrolock of the two pulse trains such that they are overlapped in time at the gas jet target every third ALS pulse. We present a definitive 2 color signal observed in Helium excited by 23 . 74 eV photons from the ALS to the 1s4p 1P state, and then ionized by the laser. We intend to use this scheme to study dissociation dynamics of excited molecules in the presence of a strong laser field. This research used the Advanced Light Source and was supported by DOE-BES under Contract No. DE-AC02-05CH11231 and DE-FG02-86ER13491, the ALS Doctoral Fellowship in Residence, and the DFG and DAAD.

2D SiNx photonic crystal coated Y3Al5O12:Ce3+ ceramic plate phosphor for high-power white light-emitting diodes.

PubMed

Park, Hoo Keun; Oh, Jeong Rok; Do, Young Rag

2011-12-05

This paper reports the optical effects of a two-dimensional (2D) SiNx photonic crystal layer (PCL) on Y3Al5O12:Ce3+ (YAG:Ce) yellow ceramic plate phosphor (CPP) in order to enhance the forward emission of YAG:Ce CPP-capped high-power white light-emitting diodes (LEDs). By adding the 2D SiNx PCL with a 580 nm lattice constant, integrated yellow emission was improved by a factor of 1.72 compared to that of a conventional YAG:Ce CPP capped on a blue LED cup. This enhanced forward yellow emission is attributed to increased extraction of yellow emission light and improved absorption of blue excitation light through Bragg scattering and/or the leaky modes produced by the 2D PCLs. The introduction of 2D PCL can also reduce the wide variation of optical properties as a function of both ambient temperature and applied current, compared to those of a high-power YAG:Ce CPP-capped LED.

A novel turn-on fluorescent probe for Al3 + and Fe3 + in aqueous solution and its imaging in living cells

NASA Astrophysics Data System (ADS)

Dai, Yanpeng; Fu, Jiaxin; Yao, Kun; Song, Qianqian; Xu, Kuoxi; Pang, Xiaobin

2018-03-01

A quinoline-based fluorescence probe has been prepared and characterized. Probe 1 showed a selective sensing ability for Al3 + and Fe3 + ions through fluorescence enhancement response at 515 nm when it was excited at 360 nm. In the presence of Fe3 + ion, probe 1 exhibited a detection limit of 2.10 × 10- 6 M. As for Al3 +, its detection limit of 3.58 × 10- 7 M was significantly lower than the highest limit of Al3 + in drinking water recommended by the WHO (7.41 μM), representing a rare example in reported fluorescent probe for Al3 + ion. The fluorescence microscopy experiments have demonstrated that probe 1 could be used in live cells for the detection of Al3 + and Fe3 + ions.

Time-resolved resonance fluorescence spectroscopy for study of chemical reactions in laser-induced plasmas.

PubMed

Liu, Lei; Deng, Leimin; Fan, Lisha; Huang, Xi; Lu, Yao; Shen, Xiaokang; Jiang, Lan; Silvain, Jean-François; Lu, Yongfeng

2017-10-30

Identification of chemical intermediates and study of chemical reaction pathways and mechanisms in laser-induced plasmas are important for laser-ablated applications. Laser-induced breakdown spectroscopy (LIBS), as a promising spectroscopic technique, is efficient for elemental analyses but can only provide limited information about chemical products in laser-induced plasmas. In this work, time-resolved resonance fluorescence spectroscopy was studied as a promising tool for the study of chemical reactions in laser-induced plasmas. Resonance fluorescence excitation of diatomic aluminum monoxide (AlO) and triatomic dialuminum monoxide (Al 2 O) was used to identify these chemical intermediates. Time-resolved fluorescence spectra of AlO and Al 2 O were used to observe the temporal evolution in laser-induced Al plasmas and to study their formation in the Al-O 2 chemistry in air.

Prism-coupled light emission from tunnel junctions

NASA Technical Reports Server (NTRS)

Ushioda, S.; Rutledge, J. E.; Pierce, R. M.

1985-01-01

Completely p-polarized light emission has been observed from smooth Al-AlO(x)-Au tunnel junctions placed on a prism coupler. The angle and polarization dependence demonstrate unambiguously that the emitted light is radiated by the fast-mode surface plasmon polariton. The emission spectra suggest that the dominant process for the excitation of the fast mode is through conversion of the slow mode to the fast mode mediated by residual roughness on the junction surface.

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

Harilal, Sivanandan S.; LaHaye, Nicole L.; Phillips, Mark C.

We used a CW laser as a narrow-band (~50kHz) tunable LIF excitation source to probe absorption from selected atomic transitions (Al, U etc. ) in a ns laser ablation plume. A comparison of fluorescence signal with respect to emission spectroscopy show significant increase in the magnitude and persistence from selected Al and U transitions in a LIBS plume. The high spectral resolution provided by the LIF measurement allows peaks to be easily separated even if they overlap in the emission spectra.

Aharonov-Bohm oscillations, quantum decoherence and amplitude modulation in mesoscopic InGaAs/InAlAs rings.

PubMed

Ren, S L; Heremans, J J; Gaspe, C K; Vijeyaragunathan, S; Mishima, T D; Santos, M B

2013-10-30

Low-temperature Aharonov-Bohm oscillations in the magnetoresistance of mesoscopic interferometric rings patterned on an InGaAs/InAlAs heterostructure are investigated for their dependence on excitation current and temperature. The rings have an average radius of 650 nm, and a lithographic arm width of 300 nm, yielding pronounced interference oscillations over a wide range of magnetic fields. Apart from a current and temperature dependence, the oscillation amplitude also shows a quasi-periodic modulation with applied magnetic field. The phase coherence length is extracted by analysis of the fundamental and higher Fourier components of the oscillations, and by direct analysis of the amplitude and its dependence on parameters. It is concluded that the Thouless energy forms the measure of excitation energies for quantum decoherence. The amplitude modulation finds an explanation in the effect of the magnetic flux threading the finite width of the interferometer arms.

Radioluminescence and photoluminescence properties of Dy-doped 12CaO • 7Al2O3 single crystals synthesized by the floating zone method

NASA Astrophysics Data System (ADS)

Kumamoto, Narumi; Nakauchi, Daisuke; Kato, Takumi; Kawano, Naoki; Okada, Go; Kawaguchi, Noriaki; Yanagida, Takayuki

2018-02-01

We have synthesized Dy-doped 12CaO • 7Al2O3 (Dy:C12A7) single crystals with various Dy concentrations by the floating zone (FZ) method and investigated the photoluminescence (PL) and X-ray induced radioluminescence (RL) properties. The PL emissions are observed around 480-490, 570-590, 650-690, and 750 nm due to the 4f-4f transitions of Dy3+ under excitation around 350-400 and 450 nm. The decay time constant (580 nm emission under 340-390 nm excitation) was approximately 0.54-0.58 ms. The RL also showed line emissions at 487, 580, 668, and 757 nm due to the 4f-4f transitions of Dy3+ while the decay time was approximately 0.49-0.53 ms.

Efficient Auger Charge-Transfer Processes in ZnO

NASA Astrophysics Data System (ADS)

Stehr, J. E.; Chen, S. L.; Svensson, B. G.; Buyanova, I. A.; Chen, W. M.

2018-05-01

Photoluminescence and magneto-optical measurements are performed on a line peaking at 3.354 eV (labeled as NBX) in electron-irradiated ZnO. Even though the energy position of the NBX line is close to that for bound excitons in ZnO, it has distinctively different magneto-optical properties. Photoelectron paramagnetic resonance measurements reveal a connection and a charge-transfer process involving NBX and Fe and Al centers. The experimental results are explained within a model which assumes that the NBX is a neutral donor bound exciton at a defect center located near a Fe impurity and an Auger-type charge-transfer process occurs between NBX and Fe3 + . While the NBX dissociates, its hole is captured by an excited state of Fe3 + and the released energy is transferred to the NBX electron, which is excited to the conduction band and subsequently trapped by a substitutional AlZn shallow donor.

Carbon Monoxide Hydrogenation on Ice Surfaces.

PubMed

Kuwahata, Kazuaki; Ohno, Kaoru

2018-03-14

We have performed density functional calculations to investigate the carbon monoxide hydrogenation reaction (H+CO→HCO), which is important in interstellar clouds. We found that the activation energy of the reaction on amorphous ice is lower than that on crystalline ice. In the course of this study, we demonstrated that it is roughly possible to use the excitation energy of the reactant molecule (CO) in place of the activation energy. This relationship holds also for small water clusters at the CCSD level of calculation and the two-layer-level ONIOM (CCSD : X3LYP) calculation. Generally, since it is computationally demanding to estimate activation energies of chemical reactions in a circumstance of many water molecules, this relationship enables one to determine the activation energy of this reaction on ice surfaces from the knowledge of the excitation energy of CO only. Incorporating quantum-tunneling effects, we discuss the reaction rate on ice surfaces. Our estimate that the reaction rate on amorphous ice is almost twice as large as that on crystalline ice is qualitatively consistent with the experimental evidence reported by Hidaka et al. [Chem. Phys. Lett., 2008, 456, 36.]. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Anisotropy of Spin Fluctuations in a Tetragonal Heavy Fermion Antiferromagnet CeRhAl 4 Si 2

DOE PAGES

Sakai, H.; Hattori, T.; Tokunaga, Y.; ...

2017-06-01

An antiferromagnetic (AFM) Kondo lattice compound CeRhAl 4Si 2, which exhibits successive AFM transitions at T N1=14 K and T N2=9 K in zero external field, has been microscopically investigated by means of 27Al nuclear magnetic resonance (NMR) technique. In the high temperature range, magnetic excitations of 4f electrons can be well explained by isotropic localized spin fluctuations. Below ~50 K, it begins to show a characteristic anisotropy of spin fluctuations, which suggests a competition between spin fluctuations and nesting instability in this system.

Structural refinement, band-gap analysis and optical properties of GdAlO3 nanophosphors influenced by Dy3+ ion concentrations for white light emitting device applications

NASA Astrophysics Data System (ADS)

Jisha, P. K.; Naik, Ramachandra; Prashantha, S. C.; Nagaswarupa, H. P.; Nagabhushana, H.; Basavaraj, R. B.; Sharma, S. C.; Prasad, Daruka

2016-04-01

Nanosized GdAlO3 phosphors activated with Dy3+ were prepared by a combustion method. Synthesized phosphors were calcined at 1000 °C for 3 h in order to achieve crystallinity. Powder x-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscope (TEM) analysis was used to characterize the prepared product. The orthorhombic phase was observed in the XRD pattern. The particle size of the samples was calculated as around 25 nm. The SEM images show an irregular shape of the prepared nanophosphor. Functional groups of the phosphors were examined by Fourier transform infrared (FTIR) spectroscopy. Photoluminescence (PL) properties of Dy3+ doped GdAlO3 for near-ultraviolet excitation (352 nm) were studied in order to investigate the possibility of its use in white light emitting device applications. Judd-Ofelt intensity parameters, radiative transition rate (A T) and radiative lifetimes (τ rad) were evaluated from the emission spectrum by adopting a standard procedure. The Commission International de l’Eclairage (CIE) color coordinates and correlated color temperature (CCT) are studied for the optimized phosphor. It is found that the color coordinates of Dy3+ doped GdAlO3 powders fall in the white region of the CIE diagram, and the average CCT value was found to be about 6276 K. Therefore, the present phosphor is highly useful for display applications.

Excitation functions of parameters extracted from three-source (net-)proton rapidity distributions in Au-Au and Pb-Pb collisions over an energy range from AGS to RHIC

NASA Astrophysics Data System (ADS)

Gao, Li-Na; Liu, Fu-Hu; Sun, Yan; Sun, Zhu; Lacey, Roy A.

2017-03-01

Experimental results of the rapidity spectra of protons and net-protons (protons minus antiprotons) emitted in gold-gold (Au-Au) and lead-lead (Pb-Pb) collisions, measured by a few collaborations at the alternating gradient synchrotron (AGS), super proton synchrotron (SPS), and relativistic heavy ion collider (RHIC), are described by a three-source distribution. The values of the distribution width σC and fraction kC of the central rapidity region, and the distribution width σF and rapidity shift Δ y of the forward/backward rapidity regions, are then obtained. The excitation function of σC increases generally with increase of the center-of-mass energy per nucleon pair √{s_{NN}}. The excitation function of σF shows a saturation at √{s_{NN}}=8.8 GeV. The excitation function of kC shows a minimum at √{s_{NN}}=8.8 GeV and a saturation at √{s_{NN}} ≈ 17 GeV. The excitation function of Δ y increases linearly with ln(√{s_{NN}}) in the considered energy range.

Ground and excited states of CaSH through electron propagator calculations

NASA Astrophysics Data System (ADS)

Ortiz, J. V.

1990-05-01

Electron propagator calculations of electron affinities of CaSH + produce ground and excited state energies at the optimized, C s minimum of the neutral ground state and at a C ∞v geometry. Feynman-Dyson amplitudes (FDAs) describe the distribution of the least bound electron in various states. The neutral ground state differs from the cation by the occupation of a one-electron state dominated by Ca s functions. Described by FDAs with Ca-S π pseudosymmetry, corresponding excited states have unpaired electrons in orbitals displaying interference between Ca p and d functions. Above these lies a σ pseudosymmetry FDA with principal contributions from Ca d functions. Two FDAs with σ pseudosymmetry follow. Higher excited states exhibit considerable delocalization onto S.

Hidden multiparticle excitation in a weakly interacting Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Watabe, Shohei

2018-03-01

We investigate multiparticle excitation effect on a collective density excitation as well as a single-particle excitation in a weakly interacting Bose-Einstein condensate (BEC). We find that although the weakly interacting BEC offers weak multiparticle excitation spectrum at low temperatures, this multiparticle excitation effect may not remain hidden, but emerges as bimodality in the density response function through the single-particle excitation. Identification of spectra in the BEC between the single-particle excitation and the density excitation is also assessed at nonzero temperatures, which has been known to be unique nature in the BEC at absolute zero temperature.

Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlation

NASA Astrophysics Data System (ADS)

Lehtola, Susi; Tubman, Norm M.; Whaley, K. Birgitta; Head-Gordon, Martin

2017-10-01

Approximate full configuration interaction (FCI) calculations have recently become tractable for systems of unforeseen size, thanks to stochastic and adaptive approximations to the exponentially scaling FCI problem. The result of an FCI calculation is a weighted set of electronic configurations, which can also be expressed in terms of excitations from a reference configuration. The excitation amplitudes contain information on the complexity of the electronic wave function, but this information is contaminated by contributions from disconnected excitations, i.e., those excitations that are just products of independent lower-level excitations. The unwanted contributions can be removed via a cluster decomposition procedure, making it possible to examine the importance of connected excitations in complicated multireference molecules which are outside the reach of conventional algorithms. We present an implementation of the cluster decomposition analysis and apply it to both true FCI wave functions, as well as wave functions generated from the adaptive sampling CI algorithm. The cluster decomposition is useful for interpreting calculations in chemical studies, as a diagnostic for the convergence of various excitation manifolds, as well as as a guidepost for polynomially scaling electronic structure models. Applications are presented for (i) the double dissociation of water, (ii) the carbon dimer, (iii) the π space of polyacenes, and (iv) the chromium dimer. While the cluster amplitudes exhibit rapid decay with an increasing rank for the first three systems, even connected octuple excitations still appear important in Cr2, suggesting that spin-restricted single-reference coupled-cluster approaches may not be tractable for some problems in transition metal chemistry.

Electron impact excitation of highly charged sodium-like ions

NASA Technical Reports Server (NTRS)

Blaha, M.; Davis, J.

1978-01-01

Optical transition probabilities and electron collision strengths for Ca X, Fe XVI, Zn XX, Kr XXVI and Mo XXXII are calculated for transitions between n equal to 3 and n equal to 4 levels. The calculations neglect relativistic effects on the radial functions. A semi-empirical approach provides wave functions of the excited states; a distorted wave function without exchange is employed to obtain the excitation cross sections. The density dependence of the relative intensities of certain emission lines in the sodium isoelectronic sequence is also discussed.

Computing correct truncated excited state wavefunctions

NASA Astrophysics Data System (ADS)

Bacalis, N. C.; Xiong, Z.; Zang, J.; Karaoulanis, D.

2016-12-01

We demonstrate that, if a wave function's truncated expansion is small, then the standard excited states computational method, of optimizing one "root" of a secular equation, may lead to an incorrect wave function - despite the correct energy according to the theorem of Hylleraas, Undheim and McDonald - whereas our proposed method [J. Comput. Meth. Sci. Eng. 8, 277 (2008)] (independent of orthogonality to lower lying approximants) leads to correct reliable small truncated wave functions. The demonstration is done in He excited states, using truncated series expansions in Hylleraas coordinates, as well as standard configuration-interaction truncated expansions.

Portable vibration exciter

NASA Technical Reports Server (NTRS)

Beecher, L. C.; Williams, F. T.

1970-01-01

Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.

Subsurface femtosecond tissue alteration: selectively photobleaching macular degeneration pigments in near retinal contact.

PubMed

Manevitch, Zakhariya; Lewis, Aaron; Levy, Carol; Zeira, Evelyne; Banin, Eyal; Manevitch, Alexandra; Khatchatouriants, Artium; Pe'er, Jacob; Galun, Eithan; Hemo, Itzhak

2012-06-14

This paper uses advances in the ultrafast manipulation of light to address a general need in medicine for a clinical approach that can provide a solution to a variety of disorders requiring subsurface tissue manipulation with ultralow collateral damage. Examples are age-related macular degeneration (AMD), fungal infections, tumors surrounded by overlying tissue, cataracts, etc. Although lasers have revolutionized the use of light in clinical settings, most lasers employed in medicine cannot address such problems of depth-selective tissue manipulation. This arises from the fact that they are mostly based on one photon based laser tissue interactions that provide a cone of excitation where the energy density is sufficiently high to excite heat or fluorescence in the entire cone. Thus, it is difficult to excite a specific depth of a tissue without affecting the overlying surface. However, the advent of femtosecond (fs) lasers has caused a revolution in multiphoton microscopy (Zipfel et al. Nat. Biotechnol. 2003, 21, 1369-1377; Denk et al. Science 1990, 248, 73-76) and fabrication (Kawata et al. Nature 2001, 412, 697-698). With such lasers, the photon energy density is only high enough for multiphoton processes in the focal volume, and this opens a new direction to address subsurface tissue manipulation. Here we show in an AMD animal model, Ccr2 KO knockout mutant mice, noninvasive, selective fs two-photon photobleaching of pigments associated with AMD that accumulate under and in ultraclose proximity to the overlying retina. Pathological evidence is presented that indicates the lack of collateral damage to the overlying retina or other surrounding tissue.

Novel use of UV broad-band excitation and stretched exponential function in the analysis of fluorescent dissolved organic matter: study of interaction between protein and humic-like components

NASA Astrophysics Data System (ADS)

Panigrahi, Suraj Kumar; Mishra, Ashok Kumar

2017-09-01

A combination of broad-band UV radiation (UV A and UV B; 250-400 nm) and a stretched exponential function (StrEF) has been utilised in efforts towards convenient and sensitive detection of fluorescent dissolved organic matter (FDOM). This approach enables accessing the gross fluorescence spectral signature of both protein-like and humic-like components in a single measurement. Commercial FDOM components are excited with the broad-band UV excitation; the variation of spectral profile as a function of varying component ratio is analysed. The underlying fluorescence dynamics and non-linear quenching of amino acid moieties are studied with the StrEF (exp(-V[Q] β )). The complex quenching pattern reflects the inner filter effect (IFE) as well as inter-component interactions. The inter-component interactions are essentially captured through the ‘sphere of action’ and ‘dark complex’ models. The broad-band UV excitation ascertains increased excitation energy, resulting in increased population density in the excited state and thereby resulting in enhanced sensitivity.

EDITORIAL Light-induced material organization Light-induced material organization

NASA Astrophysics Data System (ADS)

Vainos, Nikos; Rode, Andrei V.

2010-12-01

Light-induced material organization extends over a broad area of research, from photon momentum transfer to atoms, molecules and particles, serving the basis for optical trapping, and expands into the laser-induced changes of material properties through photopolymerization, photodarkening, and materials ablation. Relevant phenomena are observed over many orders of magnitude of light intensity, from a few kW cm-2 for the optical trapping of living cells to 1014 W cm-2 encountered in femtosecond laser micromachining and micro-explosion. Relevant interactions reveal a rich palette of novel phenomena in the solid state, from subtle excitations and material organization to phase transformations, non-equilibrium and transient states. The laser-induced material modifications relate to changes in the crystal structure and the molecular bonding, phase transitions in liquid state, ablation and plasma production associated with extreme pressure and temperature conditions towards entirely new states of matter. The underlying physical mechanisms form the foundations for micro-engineering photonic and other functional devices and lead the way to relevant applications. At the same time, they hold the potential for creating non-equilibrium material states and a range of fundamentally new products not available by other means. The fundamental understanding of both materials nature and functional behaviour will ultimately yield novel devices and improved performance in several fields. The far reaching goals of these studies relate to the development of new methods and technologies for micro- and nano-fabrication, not only offering a significant reduction of cost, but also expanding the fabrication capabilities into unexplored areas of biophotonics and nanotechnology. This special issue of Journal of Optics presents some very recent and exciting advances in the field of materials manipulation by laser beams, aiming to underline its current trends. In optical trapping research we would like to attract the reader's attention to a curious way in which the laser beam architecture allows light modes to deviate from linear propagation (Morris et al). Laser speckle fields act as an array of potential wells that simultaneously trap thousands of particles in air (Shvedov et al). A new study of spatial light modulators (SLMs) offers a viable and flexible holographic tweezers tool (Bowman et al), demonstrating a dual role of wavefront sensing and corrective performance in a closed-loop adaptive optics system. A new concept for reordering birefringent liquid crystal media has been introduced and discussed (Brasselet). This new approach is based on the spatially modulated optical dielectric torque density arising from the inherent longitudinal component of the electric field of any laser beam. The dynamics of the optical response of a liquid crystal infiltrated photonic structure has been considered by Miroshnichenko et al, concluding that the mechanical effect of light on the orientational ordering of the crystalline axis can be used to control the dynamics of the optical response of such photonic structures. An intriguing result on structural changes in fused silica induced by powerful femtosecond laser pulses in confined geometry is presented in a paper by Juodkazis et al. The results of x-ray diffraction from the laser-modified material indicate a possibility for phase separation, but the physical mechanism is still unclear. At low power, electric-field-assisted hologram recording in chalcogenide thin films yields improved diffraction efficiency, even in ultrathin films (Vlaeva et al). A comprehensive review of recent advances in multiphoton polymerization in hybrid materials with femtosecond laser pulses (Farsari et al) is supplemented by a number of new results in multiphoton polymerization for photonic band gap structures and micro-engineering applications. Microreplication methods are complementing such approaches with produced objects extending the horizons to production processing (Koroleva et al). The use of femtosecond lasers enables polymerization for flexible production of micro-optics and integrated optics (Malinauskas et al). Laser beams of moderate intensity are used to create surface relief patterning in polymer and hybrid matter (Babeva et al) while the use of optimized acrylamide photopolymers results in submicron holographic structures (Trainer et al). In a different concept, the application of laser radiation forces in soft polymer matter offers intriguing, yet unexplored, means for the organization of dense structures and filaments in polymer solutes, pointing to nonlinear optical applications (Anyfantakis et al). Finally, high laser intensities are used for the processing of soft polymer and hybrid matter. In the two modes of operation available, laser-induced forward transfer of polymers is a promising alternative for the creation of controlled structures (Palla-Papavlu et al), while ablative structuring creates interfaces with enhanced properties by excimer laser irradiation at the deep ultraviolet 193 nm and 157 nm wavelengths (Athanasekos et al). Such methods provide flexible tools for the fabrication of optimized photonic sensor structures based on hybrid nanocomposites incorporating diffractive optic interfaces, a technology enabling the recent advent of remote point sensing of chemical and physical agents by light (Vasileiades et al). A substantial part of this work has been supported in the framework of COST MP0604 Action `Optical Micro-Manipulation by Nonlinear Nanophotonics' of the European Science Foundation. We are confident that this collection of papers on light-induced material organization will guide the reader in this emerging field, inspire the interested scientific community and stimulate further research and innovation in this exciting and growing field.

Crystal structure of Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2} and luminescence properties of Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2}:Eu{sup 2+}

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

Iwata, Tomoyuki; Haniuda, Masahide; Fukuda, Koichiro

2008-01-15

The crystal structure of Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2} was determined from laboratory X-ray powder diffraction data (CuK{alpha}{sub 1}) using the Rietveld method, with the anisotropic displacement parameters being assigned for all atoms. The crystal structure is cubic (space group I4-bar 3d, Z=2) with lattice dimensions a=1.200950(5) nm and V=1.73211(1) nm{sup 3}. The reliability indices calculated from the Rietveld method were R{sub wp}=8.48% (S=1.21), R{sub p}=6.05%, R{sub B}=1.27% and R{sub F}=1.01%. The validity of the structural model was verified by the three-dimensional electron density distribution, the structural bias of which was reduced as much as possible using the maximum-entropy methods-basedmore » pattern fitting (MPF). The reliability indices calculated from the MPF were R{sub B}=0.75% and R{sub F}=0.56%. In the structural model there are one Ca site, two Al sites, two O sites and one Cl site. This compound is isomorphous with Ca{sub 12}Al{sub 10.6}Si{sub 3.4}O{sub 32}Cl{sub 5.4}. Europium-doped sample Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2}:Eu{sup 2+} was prepared and the photoluminescence properties were presented. The excitation spectrum consisted of two wide bands, which were located at about 268 and 324 nm. The emission spectrum, when excited at 324 nm, resulted in indigo light with a peak at about 442 nm. - Graphical abstract: A portion of the crystal structure of Ca{sub 12}Al{sub 14}O{sub 32}Cl{sub 2} showing eight-membered AlO{sub 4} rings and Ca-Cl-Ca unit.« less

Influence of the Renner-Teller Coupling in CO+H Collision Dynamics

NASA Astrophysics Data System (ADS)

Ndengue, Steve Alexandre; Dawes, Richard

2017-06-01

Carbon monoxide is after molecular hydrogen the second most abundant molecule in the universe and an important molecule for processes occurring in the atmosphere, hydrocarbon combustion and the interstellar medium. The rate coefficients of CO in collision with dominant species like H, H_2, He, etc are necessary to understand the CO emission spectrum or to model combustion chemistry processes. The inelastic scattering of CO with H has been intensively studied theoretically in the past decades,^1 mostly using the so-called WKS PES^6 developed by Werner et al. or recently a modified version by Song et al.^2 Though the spectroscopic agreement of the WKS surface with experiment is quite good, so far the studies of scattering dynamics have neglected coupling to an electronic excited state. We present new results on a set of HCO surfaces of the ground and the excited Renner-Teller coupled electronic states^3 with the principal objective of studying the influence of the Renner-Teller coupling on the inelastic scattering of CO+H. Our calculations done using the MCTDH^4 algorithm in the 0-2 eV energy range allow evaluation of the contribution of the Renner-Teller coupling on the rovibrationally inelastic scattering and discuss the relevance and reliability of the calculations. References:} 1. N. Balakrishnan, M. Yan and A. Dalgarno, Astrophys. J. 568, 443 (2002); B.C. Shepler et al, Astron. & Astroph. 475, L15 (2007); L. Song et al, J. Chem. Phys. 142, 204303 (2015); K.M. Walker et al, Astroph. J. 811, 27 (2015). 2. L. Song et al, Astrophys. J. 813, 96 (2015). 3. H.-M. Keller et al, J. Chem. Phys. 105, 4983 (1996). 4. S. Ndengue, R. Dawes and H. Guo, J. Chem. Phys. 144, 244301 (2016). 5. M.H. Beck et al., Phys. Rep. 324, 1 (2000).

Coupled-cluster and density functional theory studies of the electronic 0-0 transitions of the DNA bases.

PubMed

Ovchinnikov, Vasily A; Sundholm, Dage

2014-04-21

The 0-0 transitions of the electronic excitation spectra of the lowest tautomers of the four nucleotide (DNA) bases have been studied using linear-response approximate coupled-cluster singles and doubles (CC2) calculations. Excitation energies have also been calculated at the linear-response time-dependent density functional theory (TDDFT) level using the B3LYP functional. Large basis sets have been employed for ensuring that the obtained excitation energies are close to the basis-set limit. Zero-point vibrational energy corrections have been calculated at the B3LYP and CC2 levels for the ground and excited states rendering direct comparisons with high-precision spectroscopy measurements feasible. The obtained excitation energies for the 0-0 transitions of the first excited states of guanine tautomers are in good agreement with experimental values confirming the experimental assignment of the energetic order of the tautomers of the DNA bases. For the experimentally detected guanine tautomers, the first excited state corresponds to a π→π* transition, whereas for the tautomers of adenine, thymine, and the lowest tautomer of cytosine the transition to the first excited state has n →π* character. The calculations suggest that the 0-0 transitions of adenine, thymine, and cytosine are not observed in the absorption spectrum due to the weak oscillator strength of the formally symmetry-forbidden transitions, while 0-0 transitions of thymine have been detected in fluorescence excitation spectra.

Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description.

PubMed

Guido, Ciro A; Jacquemin, Denis; Adamo, Carlo; Mennucci, Benedetta

2015-12-08

We critically analyze the performances of continuum solvation models when coupled to time-dependent density functional theory (TD-DFT) to predict solvent effects on both absorption and emission energies of chromophores in solution. Different polarization schemes of the polarizable continuum model (PCM), such as linear response (LR) and three different state specific (SS) approaches, are considered and compared. We show the necessity of introducing a SS model in cases where large electron density rearrangements are involved in the excitations, such as charge-transfer transitions in both twisted and quadrupolar compounds, and underline the very delicate interplay between the selected polarization method and the chosen exchange-correlation functional. This interplay originates in the different descriptions of the transition and ground/excited state multipolar moments by the different functionals. As a result, the choice of both the DFT functional and the solvent polarization scheme has to be consistent with the nature of the studied electronic excitation.

Estimation of the auto frequency response function at unexcited points using dummy masses

NASA Astrophysics Data System (ADS)

Hosoya, Naoki; Yaginuma, Shinji; Onodera, Hiroshi; Yoshimura, Takuya

2015-02-01

If structures with complex shapes have space limitations, vibration tests using an exciter or impact hammer for the excitation are difficult. Although measuring the auto frequency response function at an unexcited point may not be practical via a vibration test, it can be obtained by assuming that the inertia acting on a dummy mass is an external force on the target structure upon exciting a different excitation point. We propose a method to estimate the auto frequency response functions at unexcited points by attaching a small mass (dummy mass), which is comparable to the accelerometer mass. The validity of the proposed method is demonstrated by comparing the auto frequency response functions estimated at unexcited points in a beam structure to those obtained from numerical simulations. We also consider random measurement errors by finite element analysis and vibration tests, but not bias errors. Additionally, the applicability of the proposed method is demonstrated by applying it to estimate the auto frequency response function of the lower arm in a car suspension.

Efficient implementation of core-excitation Bethe-Salpeter equation calculations

NASA Astrophysics Data System (ADS)

Gilmore, K.; Vinson, John; Shirley, E. L.; Prendergast, D.; Pemmaraju, C. D.; Kas, J. J.; Vila, F. D.; Rehr, J. J.

2015-12-01

We present an efficient implementation of the Bethe-Salpeter equation (BSE) method for obtaining core-level spectra including X-ray absorption (XAS), X-ray emission (XES), and both resonant and non-resonant inelastic X-ray scattering spectra (N/RIXS). Calculations are based on density functional theory (DFT) electronic structures generated either by ABINIT or QuantumESPRESSO, both plane-wave basis, pseudopotential codes. This electronic structure is improved through the inclusion of a GW self energy. The projector augmented wave technique is used to evaluate transition matrix elements between core-level and band states. Final two-particle scattering states are obtained with the NIST core-level BSE solver (NBSE). We have previously reported this implementation, which we refer to as OCEAN (Obtaining Core Excitations from Ab initio electronic structure and NBSE) (Vinson et al., 2011). Here, we present additional efficiencies that enable us to evaluate spectra for systems ten times larger than previously possible; containing up to a few thousand electrons. These improvements include the implementation of optimal basis functions that reduce the cost of the initial DFT calculations, more complete parallelization of the screening calculation and of the action of the BSE Hamiltonian, and various memory reductions. Scaling is demonstrated on supercells of SrTiO3 and example spectra for the organic light emitting molecule Tris-(8-hydroxyquinoline)aluminum (Alq3) are presented. The ability to perform large-scale spectral calculations is particularly advantageous for investigating dilute or non-periodic systems such as doped materials, amorphous systems, or complex nano-structures.

Theory of terahertz intervalence band polaritons and antipolaritons

NASA Astrophysics Data System (ADS)

Faragai, Inuwa Aliyu

The work presented in this thesis is a theoretical investigation of the interaction of terahertz (THz) radiation with intersubband excitations in microcavities leading to THz polaritons and antipolaritons. The approach is based on the dielectric function formalism. The dielectric constant is derived from an optical susceptibility evaluated with Non Equilibrium Many Body Green's Functions (NEGF), which is then adjusted to a Lorentzian fit. Finally, the resulting expression is included in the wave equation describing the propagating electric field in the medium. This model is applied to GaAs/Al[0.3]Ga[0.7]As multiple quantum wells embedded in a microcavity. The energy dispersion relations leading to THz polaritons and antipolaritons are obtained and investigated for different carrier densities and cavity configurations. Recently, intersubband based THz polariton emitters and THz quantum cascade lasers are attracting major research interest due to their great importance in applications such as THz imaging, spectroscopy as well as in security control for detection of biological and hazardous materials and medical diagnosis. The coupling of THz radiation with intersubband transitions in semiconductor microcavities can lead to further tunability and improved quantum efficiency for THz devices. Here we propose a simple geometry and used a simplified modelling technique to investigate the interactions of transverse electric (TE-Mode) polarized THz cavity modes with intervalence band excitations. The model is applied to single and multiple transition problems and combinations of many body effects and scattering mechanism are included in the input dielectric constant.

Active control of the forced and transient response of a finite beam. M.S. Thesis

NASA Technical Reports Server (NTRS)

Post, John T.

1990-01-01

Structural vibrations from a point force are modelled on a finite beam. This research explores the theoretical limit on controlling beam vibrations utilizing another point source as an active controller. Three different types of excitation are considered, harmonic, random, and transient. For harmonic excitation, control over the entire beam length is possible only when the excitation frequency is near a resonant frequency of the beam. Control over a subregion may be obtained even between resonant frequencies at the cost of increasing the vibration outside of the control region. For random excitation, integrating the expected value of the displacement squared over the required interval, is shown to yield the identical cost function as obtained by integrating the cost function for harmonic excitation over all excitation frequencies. As a result, it is always possible to reduce the cost function for random excitation whether controlling the entire beam or just a subregion, without ever increasing the vibration outside the region in which control is desired. The last type of excitation considered is a single, transient pulse. The form of the controller is specified as either one or two delayed pulses, thus constraining the controller to be casual. The best possible control is examined while varying the region of control and the controller location. It is found that control is always possible using either one or two control pulses.

Manual therapy directed at the knee or lumbopelvic region does not influence quadriceps spinal reflex excitability.

PubMed

Grindstaff, Terry L; Pietrosimone, Brian G; Sauer, Lindsay D; Kerrigan, D Casey; Patrie, James T; Hertel, Jay; Ingersoll, Christopher D

2014-08-01

Manual therapies, directed to the knee and lumbopelvic region, have demonstrated the ability to improve neuromuscular quadriceps function in individuals with knee pathology. It remains unknown if manual therapies may alter impaired spinal reflex excitability, thus identifying a potential mechanism in which manual therapy may improve neuromuscular function following knee injury. To determine the effect of local and distant mobilisation/manipulation interventions on quadriceps spinal reflex excitability. Seventy-five individuals with a history of knee joint injury and current quadriceps inhibition volunteered for this study. Participants were randomised to one of five intervention groups: lumbopelvic manipulation (grade V), lumbopelvic manipulation positioning (no thrust), grade IV patellar mobilisation, grade I patellar mobilisation, and control (no treatment). Changes in spinal reflex excitability were quantified by assessing the Hoffmann reflex (H-reflex), presynaptic, and postsynaptic excitability. A hierarchical linear-mixed model for repeated measures was performed to compare changes in outcome variables between groups over time (pre, post 0, 30, 60, 90 min). There were no significant differences in H-reflex, presynaptic, or postsynaptic excitability between groups across time. Manual therapies directed to the knee or lumbopelvic region did not acutely change quadriceps spinal reflex excitability. Although manual therapies may improve impairments and functional outcomes the underlying mechanism does not appear to be related to changes in spinal reflex excitability. Copyright © 2014 Elsevier Ltd. All rights reserved.

Photo-excited zero-resistance states in quasi-two-dimensional GaAs / Al xGa 1- xAs devices

NASA Astrophysics Data System (ADS)

Mani, R. G.

2007-12-01

We illustrate some experimental features of the recently discovered radiation-induced zero-resistance states in the high-mobility GaAs/AlGaAs system, with a special emphasis on the interplay between the radiation-induced changes in the diagonal resistance and the Hall effect. We show that, quantum Hall effects, i.e., quantum Hall plateaus, disappear under photoexcitation, at the minima of the radiation-induced magnetoresistance oscillations.

The mechanism of long phosphorescence of SrAl{sub 2-x}B{sub x}O{sub 4} (0

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

Nag, Abanti; Kutty, T.R.N

2004-03-01

The role of B{sub 2}O{sub 3} in realizing the long phosphorescence of Eu(II)+Dy(III) doped strontium aluminates has been investigated. IR and solid state {sup 27}Al MAS NMR spectra show the incorporation of boron as BO{sub 4} in the AlO{sub 4} framework of SrAl{sub 2}O{sub 4} and Sr{sub 4}Al{sub 14}O{sub 25}. Phosphor, made free of glassy phases by washing with hot acetic acid+glycerol, did not show any photoconductivity under UV irradiation, indicating that the mechanism involving hole conduction in valence band is untenable for long phosphorescence. EPR studies confirm the presence of both electron and hole trap centers. Dy{sup 3+} formsmore » substitutional defect complex with borate; [Dy-BO{sub 4}-V{sub Sr}]{sup 2-}, and acts as a hole trap center. The electron centers are formed by the oxygen vacancies associated with BO{sub 3}{sup 3-}, i.e. [BO{sub 3}-V{sub O}]{sup 3-}. Under indigo light or near UV irradiation, the photoinduced electron centers are formed as [BO{sub 3}-V{sub O}(e')]{sup 4-}. The holes are released from [Dy-BO{sub 4}-V{sub Sr}(h{center_dot})]{sup 1-} under thermal excitation at room temperature. The recombination of electrons with holes releases energy which is expended to excite Eu{sup 2+} to induce long phosphorescence.« less

Laser ablation of ceramic Al2O3 at 193 nm and 248 nm: The importance of single-photon ionization processes

NASA Astrophysics Data System (ADS)

Peláez, R. J.; Afonso, C. N.; Bator, M.; Lippert, T.

2013-06-01

The aim of this work is to demonstrate that single-photon photoionization processes make a significant difference in the expansion and temperature of the plasma produced by laser ablation of ceramic Al2O3 in vacuum as well as to show their consequences in the kinetic energy distribution of the species that eventually will impact on the film properties produced by pulsed laser deposition. This work compares results obtained by mass spectrometry and optical spectroscopy on the composition and features of the plasma produced by laser ablation at 193 nm and 248 nm, i.e., photon energies that are, respectively, above and below the ionization potential of Al, and for fluences between threshold for visible plasma and up to ≈2 times higher. The results show that the ionic composition and excitation of the plasma as well as the ion kinetic energies are much higher at 193 nm than at 248 nm and, in the latter case, the population of excited ions is even negligible. The comparison of Maxwell-Boltzmann temperature, electron temperatures, and densities of the plasmas produced with the two laser wavelengths suggests that the expansion of the plasma produced at 248 nm is dominated by a single population. Instead, the one produced at 193 nm is consistent with the existence of two populations of cold and hot species, the latter associated to Al+ ions that travel at the forefront and produced by single photon ionization as well as Al neutrals and double ionized ions produced by electron-ion impact. The results also show that the most energetic Al neutrals in the plasma produced at the two studied wavelengths are in the ground state.

The effect of crystal orientation on the aluminum anodes of the aluminum-air batteries in alkaline electrolytes

NASA Astrophysics Data System (ADS)

Fan, Liang; Lu, Huimin; Leng, Jing; Sun, Zegao; Chen, Chunbo

2015-12-01

Recently, aluminum-air (Al-air) batteries have received attention from researchers as an exciting option for safe and efficient batteries. The electrochemical performance of Aluminum anode remains an active area of investigation. In this paper, the electrochemical properties of polycrystalline Al, Al (001), (110) and (111) single crystals are investigated using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) in 4 M NaOH and KOH. Hydrogen corrosion rates of the Al anodes are determined by hydrogen collection. Battery performance using the anodes is tested by constant current discharge at 10 mA cm-2. This is the first report showing that the electrochemical properties of Al are closely related to the crystallographic orientation in alkaline electrolytes. The (001) crystallographic plane has good corrosion resistance but (110) is more sensitive. Al (001) single crystals display higher anode efficiency and capacity density. Controlling the crystallographic orientation of the Al anode is another way to improve the performance of Al-air batteries in alkaline electrolytes.

Luminescence of Eu:Y3Al5O12, Eu:Lu3Al5O12, and Eu:GdAlO3 Nanocrystals Synthesized by Solution Combustion

NASA Astrophysics Data System (ADS)

Vilejshikova, E. V.; Khort, A. A.; Podbolotov, K. B.; Loiko, P. A.; Shimanski, V. I.; Shashkov, S. N.; Yumashev, K. V.

2017-11-01

Nanocrystals of rare-earth garnets Y3Al5O12 and Lu3Al5O12 and perovskite GdAlO3 highly doped (10-20 at%) with Eu3+ are synthesized by the solution combustion technique and subsequent annealing in air at 800 and 1300oC. Their structure, morphology, and phase composition are studied. These materials exhibit intense red luminescence under UV excitation. Eu:GdAlO3 luminescence has CIE 1931 color coordinates (0.632, 0.368); dominant wavelength, 599.6 nm; and color purity, >99%. Judd-Ofelt parameters, luminescence branching ratios, and lifetimes of the Eu3+ 5D0 state are determined. The luminescence quantum yield for Eu:GdAlO3 (10 at%) reaches 74% with a lifetime of 1.4 ms for the 5D0 state. The synthesized materials are promising for red ceramic phosphors.

Effects of nano-YAG (Y 3Al 5O 12) crystallization on the structure and photoluminescence properties of Nd 3+-doped K 2O-SiO 2-Y 2O 3-Al 2O 3 glasses

NASA Astrophysics Data System (ADS)

Tarafder, Anal; Molla, Atiar Rahaman; Karmakar, Basudeb

2010-10-01

Nd 3+-doped precursor glass in the K 2O-SiO 2-Y 2O 3-Al 2O 3 (KSYA) system was prepared by the melt-quench technique. The transparent Y 3Al 5O 12 (YAG) glass-ceramics were derived from this glass by a controlled crystallization process at 750 °C for 5-100 h. The formation of YAG crystal phase, size and morphology with progress of heat-treatment was examined by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and Fourier transformed infrared reflectance spectroscopy (FT-IRRS). The crystallite sizes obtained from XRD are found to increase with heat-treatment time and vary in the range 25-40 nm. The measured photoluminescence spectra have exhibited emission transitions of 4F 3/2 → 4I J ( J = 9/2, 11/2 and 13/2) from Nd 3+ ions upon excitation at 829 nm. It is observed that the photoluminescence intensity and excited state lifetime of Nd 3+ ions decrease with increase in heat-treatment time. The present study indicates that the incorporation of Nd 3+ ions into YAG crystal lattice enhance the fluorescence performance of the glass-ceramic nanocomposites.

Electron capture in collisions of Al2+ ions with He atoms at intermediate energies

NASA Astrophysics Data System (ADS)

Watanabe, A.; Sato, H.; Gu, J. P.; Hirsch, G.; Buenker, R. J.; Kimura, M.

2001-09-01

Electron capture resulting from collisions of Al2+ ions with He atoms from 0.15 to 1000 keV/u is investigated using a molecular-orbital representation within a semiclassical frame. Molecular electronic states and corresponding couplings are determined by the ALCHEMY program. Sixteen molecular states all connecting to single-electron-capture processes are included, and hence radial and rotational couplings among these channels are fully considered. The trajectory effect arising from the straight-line, Coulomb, and ground-state potential trajectories for electron-capture and excitation processes is carefully assessed. The electron-capture cross section by ground-state Al2+(2S) ions slowly increases before it reaches a maximum of 1.3×10-16 cm2 at 100 keV/u. Those for metastable Al2+(2P) ions sharply increase with increasing energy, and reach a peak at 1 keV/u with a value of 1.5×10-16 cm2. The earlier experimental data are found to be larger by an order of magnitude although their energy dependence is in good accord with the present result. Excitation cross sections for both the ground and metastable states are found to be much larger by a factor of 2-3 than corresponding capture cross sections above 1 keV/u although they become comparable below this energy.

Raman and fluorescence contributions to the resonant inelastic soft x-ray scattering on LaAlO3/SrTiO3 heterostructures

NASA Astrophysics Data System (ADS)

Pfaff, F.; Fujiwara, H.; Berner, G.; Yamasaki, A.; Niwa, H.; Kiuchi, H.; Gloskovskii, A.; Drube, W.; Gabel, J.; Kirilmaz, O.; Sekiyama, A.; Miyawaki, J.; Harada, Y.; Suga, S.; Sing, M.; Claessen, R.

2018-01-01

We present a detailed study of the Ti 3 d carriers at the interface of LaAlO3/SrTiO3 heterostructures by high-resolution resonant inelastic soft x-ray scattering (RIXS), with special focus on the roles of overlayer thickness and oxygen vacancies. Our measurements show the existence of interfacial Ti 3 d electrons already below the critical thickness for conductivity. The (total) interface charge carrier density increases up to a LaAlO3 overlayer thickness of 6 unit cells before it levels out. Furthermore, we observe strong Ti 3 d charge carrier doping by oxygen vacancies. The RIXS data combined with photoelectron spectroscopy and transport measurements indicate the simultaneous presence of localized and itinerant charge carriers. At variance with previous interpretations, we show that in our excitation energy dependent RIXS measurements the amounts of localized and itinerant Ti 3 d electrons in the ground state do not scale with the intensities of the Raman and fluorescence peaks, respectively. Rather, we attribute the observation of either Raman components or fluorescence signal to the specific nature of the intermediate state reached in the RIXS excitation process.

Far-infrared Optical Conductivity Gap in Superconducting MgB2 Films

NASA Astrophysics Data System (ADS)

Carnahan, M. A.; Kaindl, R. A.; Chemla, D. S.; Christen, H. M.; Zhai, H. Y.; Paranthaman, M.; Lowndes, D. H.

2002-03-01

The prospect of unconventional coupling in the superconductor MgB2 motivates experiments which probe the density of states around the superconducting gap. The frequency and temperature dependent optical conductivity contains important spectroscopic information about the fundamental gap excitations as well as providing a contactless measure of the superconducting condensate. Here we present the first measurements of the far-infrared conductivity of MgB2 over a broad frequency range which spans excitations across its lowest-energy superconducting gap [1]. Thin films of MgB2 are grown on Al_2O3 substrates through e-beam evaporation and subsequent ex-situ annealing [2]. Both the real and imaginary parts of the conductivity are obtained - without recourse to Kramers-Kronig transformations - from terahertz time-domain spectroscopy. Below Tc we observe a depletion of oscillator strength due to the opening of a superconducting gap. We find a gap size of 2Δ ≈ 5 meV. This result, a value which is only half that expected in weak-coupling BCS theory, disfavors a conventional isotropic single-gap scenario. [1] R. Kaindl et al., Phys. Rev. Lett. (to appear). [2] M. Paranthaman et al., Appl. Phys. Lett. 78, 3669 (2001).

Growth and luminescent properties of scintillators based on the single crystalline films of Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12}:Ce garnet

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

Zorenko, Yu, E-mail: zorenko@ukw.edu.pl; Laboratory for Optoelectronic Materials, Department of Electronics of Ivan Franko National University of Lviv, 79017 Lviv; Gorbenko, V.

Highlights: • Single crystalline films of Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12} garnets at x = 0 ÷ 3.0 were grown by LPE method onto YAG substrates. • Lattice constant of Lu{sub 3−}Gd{sub x}Al{sub 5}O{sub 12}:Ce film and the misfit m between films and YAG substrate changed linearly with increasing of Gd content. • Effective Gd{sup 3+}–Ce{sup 3+} energy transfer occurs in the Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12}:Ce films. • Best scintillation light yield is observed in the Lu{sub 3}Al{sub 5}O{sub 12}:Ce and Lu{sub 2.4}Gd{sub 0.6}Al{sub 5}O{sub 12}:Ce films. • Increase of the Gd content in x = 1.5–2.5 range resultsmore » in decreasing the scintillation LY of Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12}:Ce films. - Abstract: The work is related to the growth of scintillators based on the single crystalline films (SCF) of Ce{sup 3+} doped Lu{sub 3−}Gd{sub x}Al{sub 5}O{sub 12} mixed rare-earth garnets by Liquid Phase Epitaxy (LPE) method. We have shown, that full set of Lu{sub 3−}Gd{sub x}Al{sub 5}O{sub 12} SCFs with x values ranging from 0 to 3.0 can be successfully crystallized by the LPE method onto Y{sub 3}Al{sub 5}O{sub 12} (YAG) substrates from the melt-solutions based on PbO-B{sub 2}O{sub 3} flux. The absorption, X-ray excited luminescence, photoluminescence, thermoluminescence and light yield measurements, the latter under excitation by α-particles of {sup 239}Pu and {sup 241}Am radioisotopes, were applied for their characterization.« less

The structural and optical properties of high-Al-content AlInGaN epilayers grown by RF-MBE

NASA Astrophysics Data System (ADS)

Wang, Baozhu; An, Tao; Wen, Huanming; Wu, Ruihong; An, Shengbiao; Zhang, Xiuqing; Wang, Xiaoliang

2008-11-01

AlInGaN Quaternary Alloys were successfully grown on sapphire substrate by radio-frequency plasma-excited molecular beam epitaxy (RF-MBE). Different Al content AlInGaN quaternary alloys were acquired by changing the Al cell's temperature. The streaky RHEED pattern observed during AlInGaN growth showed the layer-by-layer growth mode. Rutherford back-scattering spectrometry (RBS), X-Ray diffraction (XRD) and Cathodoluminescence (CL) were used to characterize the structural and optical properties of the AlInGaN alloys. The experimental results show that the AlInGaN with appropriate Al cell's temperature, could acquire Al/In ratio near 4.7, then could acquire better crystal and optical quality. The samllest X-ray and CL full-width at half-maximum (FWHM) of the AlInGaN are 5arcmin and 25nm, respectivly. There are some cracks and V-defects occur in high-Al/In-ratio AlInGaN alloys. In the CL image, the cracks and V-defect regions are the emission-enhanced regions. The emission enhancement of the cracked and V-defect regions may be related to the In-segregation.

Electron-impact vibrational excitation of furan

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

Hargreaves, L. R.; Albaridy, R.; Serna, G.

2011-12-15

We report measurements of differential cross sections for the vibrational excitation of furan (C{sub 4}H{sub 4}O), obtaining results for nine features spanning the electron energy loss range from 0 to 0.8 eV, at electron-impact energies of 5, 6, 7.5, 10, and 15 eV and for scattering angles ranging from 10{sup o} to 130{sup o}. The normalization of the differential cross sections was done using elastic differential cross sections for furan determined earlier by our group [Khakoo et al., Phys. Rev A 81, 062716 (2010)].

Temperature dependence of the hydrated electron's excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models

NASA Astrophysics Data System (ADS)

Zho, Chen-Chen; Farr, Erik P.; Glover, William J.; Schwartz, Benjamin J.

2017-08-01

We use one-electron non-adiabatic mixed quantum/classical simulations to explore the temperature dependence of both the ground-state structure and the excited-state relaxation dynamics of the hydrated electron. We compare the results for both the traditional cavity picture and a more recent non-cavity model of the hydrated electron and make definite predictions for distinguishing between the different possible structural models in future experiments. We find that the traditional cavity model shows no temperature-dependent change in structure at constant density, leading to a predicted resonance Raman spectrum that is essentially temperature-independent. In contrast, the non-cavity model predicts a blue-shift in the hydrated electron's resonance Raman O-H stretch with increasing temperature. The lack of a temperature-dependent ground-state structural change of the cavity model also leads to a prediction of little change with temperature of both the excited-state lifetime and hot ground-state cooling time of the hydrated electron following photoexcitation. This is in sharp contrast to the predictions of the non-cavity model, where both the excited-state lifetime and hot ground-state cooling time are expected to decrease significantly with increasing temperature. These simulation-based predictions should be directly testable by the results of future time-resolved photoelectron spectroscopy experiments. Finally, the temperature-dependent differences in predicted excited-state lifetime and hot ground-state cooling time of the two models also lead to different predicted pump-probe transient absorption spectroscopy of the hydrated electron as a function of temperature. We perform such experiments and describe them in Paper II [E. P. Farr et al., J. Chem. Phys. 147, 074504 (2017)], and find changes in the excited-state lifetime and hot ground-state cooling time with temperature that match well with the predictions of the non-cavity model. In particular, the experiments reveal stimulated emission from the excited state with an amplitude and lifetime that decreases with increasing temperature, a result in contrast to the lack of stimulated emission predicted by the cavity model but in good agreement with the non-cavity model. Overall, until ab initio calculations describing the non-adiabatic excited-state dynamics of an excess electron with hundreds of water molecules at a variety of temperatures become computationally feasible, the simulations presented here provide a definitive route for connecting the predictions of cavity and non-cavity models of the hydrated electron with future experiments.

Enhanced luminescence in SrMgAl(x)O(17±δ):yMn4+ composite phosphors.

PubMed

Cao, Renping; Sharafudeen, Kaniyarakkal N; Qiu, Jianrong

2014-01-03

Red-emitting SrMgAlxO17±δ:yMn(4+) composite phosphors (x=10-100; y=0.05-4.0 mol%) are synthesized by solid-state reaction method in air. Addition of Al2O3 leads to the formation of two concomitant phases, i.e., SrMgAl10O17 and Al2O3 phases in the composite phosphor. Red emission from Mn(4+) ions in the composite phosphors is greatly enhanced due to multiple scattering and absorption of excitation light between SrMgAl10O17 and Al2O3 phases. SrMgAlxO17±δ:yMn(4+) composite phosphors would be a promising candidate as red phosphor in the application of a 397 nm near UV-based W-LED. Copyright © 2013 Elsevier B.V. All rights reserved.

Study of the Auger line shape of polyethylene and diamond

NASA Technical Reports Server (NTRS)

Dayan, M.; Pepper, S. V.

1984-01-01

The KVV Auger electron line shapes of carbon in polyethylene and diamond have been studied. The spectra were obtained in derivative form by electron beam excitation. They were treated by background subtraction, integration and deconvolution to produce the intrinsic Auger line shape. Electron energy loss spectra provided the response function in the deconvolution procedure. The line shape from polyethylene is compared with spectra from linear alkanes and with a previous spectrum of Kelber et al. Both spectra are compared with the self-convolution of their full valence band densities of states and of their p-projected densities. The experimental spectra could not be understood in terms of existing theories. This is so even when correlation effects are qualitatively taken into account account to the theories of Cini and Sawatzky and Lenselink.

Particle induced nuclear reaction calculations of Boron target nuclei

NASA Astrophysics Data System (ADS)

Tel, Eyyup; Sahan, Muhittin; Sarpün, Ismail Hakki; Kavun, Yusuf; Gök, Ali Armagan; Poyraz, Meltem

2017-09-01

Boron is usable element in many areas such as health, industry and energy. Especially, Boron neutron capture therapy (BNCT) is one of the medical applications. Boron target is irradiated with low energy thermal neutrons and at the end of reactions alpha particles occur. After this process recoiling lithium-7 nuclei is composed. In this study, charge particle induced nuclear reactions calculations of Boron target nuclei were investigated in the incident proton and alpha energy range of 5-50 MeV. The excitation functions for 10B target nuclei reactions have been calculated by using PCROSS Programming code. The semi-empirical calculations for (p,α) reactions have been done by using cross section formula with new coefficient obtained by Tel et al. The calculated results were compared with the experimental data from the literature.

Impurity states and the diamagnetic susceptibility of a donor in a GaAs/AlxGa1-xAs Triangular Quantum Well under hydrostatic pressure

NASA Astrophysics Data System (ADS)

Kalpana, Panneer Selvam; Jayakumar, Kalyanasundaram

2017-11-01

We study the effect of Γ-X band crossover due to the application of hydrostatic pressure of a hydrogenic donor confined in a Triangular GaAs/Al1-xGaxAs Quantum Well (TQW) for x = 0.3 and the diamagnetic susceptibility (χdia) for such an impurity in 1s and some few low lying excited states have been investigated. The Schrodinger equation has been solved using variational technique in the effective mass approximation. The results show that the diamagnetic susceptibility (χdia) of a hydrogenic donor abruptly increases at a particular pressure for 1s and 2p± states but a steady increase for 2s state as a function of applied pressure.

Electronic band structures and excitonic properties of delafossites: A GW-BSE study

NASA Astrophysics Data System (ADS)

Wang, Xiaoming; Meng, Weiwei; Yan, Yanfa

2017-08-01

We report the band structures and excitonic properties of delafossites CuMO2 (M=Al, Ga, In, Sc, Y, Cr) calculated using the state-of-the-art GW-BSE approach. We evaluate different levels of self-consistency of the GW approximations, namely G0W0, GW0, GW, and QSGW, on the band structures and find that GW0, in general, predicts the band gaps in better agreement with experiments considering the electron-hole effect. For CuCrO2, the HSE wave function is used as the starting point for the perturbative GW0 calculations, since it corrects the band orders wrongly predicted by PBE. The discrepancy about the valence band characters of CuCrO2 is classified based on both HSE and QSGW calculations. The PBE wave functions, already good, are used for other delafossites. All the delafossites are shown to be indirect band gap semiconductors with large exciton binding energies, varying from 0.24 to 0.44 eV, in consistent with experimental findings. The excitation mechanisms are explained by examining the exciton amplitude projections on the band structures. Discrepancies compared with experiments are also addressed. The lowest and strongest exciton, mainly contributed from either Cu 3d → Cu 3p (Al, Ga, In) or Cu 3d → M 3d (M = Sc, Y, Cr) transitions, is always located at the L point of the rhombohedral Brillouin zone.

Cerebellum tunes the excitability of the motor system: evidence from peripheral motor axons.

PubMed

Nodera, Hiroyuki; Manto, Mario

2014-12-01

Cerebellum is highly connected with the contralateral cerebral cortex. So far, the motor deficits observed in acute focal cerebellar lesions in human have been mainly explained on the basis of a disruption of the cerebello-thalamo-cortical projections. Cerebellar circuits have also numerous anatomical and functional interactions with brainstem nuclei and projects also directly to the spinal cord. Cerebellar lesions alter the excitability of peripheral motor axons as demonstrated by peripheral motor threshold-tracking techniques in cerebellar stroke. The biophysical changes are correlated with the functional scores. Nerve excitability measurements represent an attractive tool to extract the rules underlying the tuning of excitability of the motor pathways by the cerebellum and to discover the contributions of each cerebellar nucleus in this key function, contributing to early plasticity and sensorimotor learning.

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

Yanai, Takeshi; Fann, George I.; Beylkin, Gregory

Using the fully numerical method for time-dependent Hartree–Fock and density functional theory (TD-HF/DFT) with the Tamm–Dancoff (TD) approximation we use a multiresolution analysis (MRA) approach to present our findings. From a reformulation with effective use of the density matrix operator, we obtain a general form of the HF/DFT linear response equation in the first quantization formalism. It can be readily rewritten as an integral equation with the bound-state Helmholtz (BSH) kernel for the Green's function. The MRA implementation of the resultant equation permits excited state calculations without virtual orbitals. Moreover, the integral equation is efficiently and adaptively solved using amore » numerical multiresolution solver with multiwavelet bases. Our implementation of the TD-HF/DFT methods is applied for calculating the excitation energies of H 2, Be, N 2, H 2O, and C 2H 4 molecules. The numerical errors of the calculated excitation energies converge in proportion to the residuals of the equation in the molecular orbitals and response functions. The energies of the excited states at a variety of length scales ranging from short-range valence excitations to long-range Rydberg-type ones are consistently accurate. It is shown that the multiresolution calculations yield the correct exponential asymptotic tails for the response functions, whereas those computed with Gaussian basis functions are too diffuse or decay too rapidly. Finally, we introduce a simple asymptotic correction to the local spin-density approximation (LSDA) so that in the TDDFT calculations, the excited states are correctly bound.« less

Electronic π-to-π* Excitations of Rhodamine Dyes Exhibit a Time-Dependent Kohn-Sham Theory “Cyanine Problem”

DOE PAGES

Moore, II, Barry; Schrader, Robert L.; Kowalski, Karol; ...

2017-05-02

The longest-wavelength π-to-π* electronic excitations of rhodamine-like dyes (RDs) with different group16 heteroatoms (O, S, Se, Te) have been investigated. Time-dependent Kohn–Sham theory (TDKST) calculations were compared with coupled-cluster (CC) and equations-of-motion (EOM) CC results for π-to-π* singlet and triplet excitations. The RDs exhibit characteristics in the TDKST calculations that are very similar to previously investigated cyanine dyes, in the sense that the singlet energies obtained with nonhybrid functionals are too high compared with the CC results at the SD(T) level. The errors became increasingly larger for functionals with increasing amounts of exact exchange. TDKST with all tested functionals ledmore » to severe underestimations of the corresponding triplet excitations and overestimations of the singlet--triplet gaps. Long-range-corrected range-separated exchange and "optimal tuning" of the range separation parameter did not significantly improve the TDKST results. A detailed analysis suggests that the problem is differential electron correlation between the ground and excited states, which is not treated sufficiently by the relatively small integrals over the exchange-correlation response kernel that enters the excitation energy expression. As a result, numerical criteria are suggested that may help identify "cyanine-like" problems in TDKST calculations of excitation spectra.« less

Comparison of hydrological and GRACE-based excitation functions of polar motion in the seasonal spectral band

NASA Astrophysics Data System (ADS)

Nastula, J.; Kolaczek, B.; Salstein, D. A.

2008-04-01

Understanding changes in the global balance of the Earths angular momentum due to the mass redistribution of geophysical fluids is needed to explain the observed polar motion. The impact of continental hydrologic signals, from land water, snow, and ice, on polar motion excitation (hydrological angular momentum-HAM), is still inadequately known. Although estimates of HAM have been made from several models of global hydrology based upon the observed distribution of surface water, snow, and soil moisture, the relatively sparse observation network and the presence of errors in the data and the geophysical fluid models preclude a full understanding of the HAM influence on polar motion variations. Recently the GRACE mission monitoring Earths time variable gravity field has allowed us to determine the mass term of polar motion excitation functions and compare them with the mass term derivable as a residual from the geodetic excitation functions and geophysical fluid motion terms on seasonal time scales. Differences between these mass terms in the years 2004 - 2005.5 are still on the order of 20 mas. Besides the overall mass excitation of polar motion comparisons with GRACE (RL04-release), we also intercompare the non-atmospheric, non-oceanic signals in the mass term of geodetic polar motion excitation with hydrological excitation of polar motion.

Comparison of high-voltage ac and pulsed operation of a surface dielectric barrier discharge

NASA Astrophysics Data System (ADS)

Williamson, James M.; Trump, Darryl D.; Bletzinger, Peter; Ganguly, Biswa N.

2006-10-01

A surface dielectric barrier discharge (DBD) in atmospheric pressure air was excited either by low frequency (0.3-2 kHz) high-voltage ac or by short, high-voltage pulses at repetition rates from 50 to 600 pulses s-1. The short-pulse excited discharge was more diffuse and did not have the pronounced bright multiple cathode spots observed in the ac excited discharge. The discharge voltage, current and average power deposited into the discharge were calculated for both types of excitation. As a measure of plasma-chemical efficiency, the ozone number density was measured by UV absorption as a function of average deposited power. The density of ozone produced by ac excitation did not increase so rapidly as that produced by short-pulse excitation as a function of average power, with a maximum measured density of ~3 × 1015 cm-3 at 25 W. The maximum ozone production achieved by short-pulse excitation was ~8.5 × 1015 cm-3 at 20 W, which was four times greater than that achieved by ac excitation at the same power level.

Laser-induced surface-plasmon desorption of dye molecules from aluminum films

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

Lee, I.; Callcott, T.A.; Arakawa, E.T.

1992-03-01

Rhodamine 8 molecules were desorbed without fragmentation from the surface of an Al film by surface-plasmon-induced desorption. Surface plasmons were excited In the Al film by the second harmonic of a Nd:YAG laser in an attenuated-to-tal-reflection (ATR) geometry. The desorbed neutrals were Ionized by a XeCl excimer laser and detected by a time-of-flight mass spectrometer. The desorption yields of both Al and rhodamine B showed a dependence with incidence angle which peaked at the plasmon resonance angle. The thresholds for desorption of Al and rhodamine B occur at the same laser fluence. Two models are proposed to explain these observations.more » 31 refs., 4 figs.« less

Communication: Correct charge transfer in CT complexes from the Becke'05 density functional

NASA Astrophysics Data System (ADS)

Becke, Axel D.; Dale, Stephen G.; Johnson, Erin R.

2018-06-01

It has been known for over twenty years that density functionals of the generalized-gradient approximation (GGA) type and exact-exchange-GGA hybrids with low exact-exchange mixing fraction yield enormous errors in the properties of charge-transfer (CT) complexes. Manifestations of this error have also plagued computations of CT excitation energies. GGAs transfer far too much charge in CT complexes. This error has therefore come to be called "delocalization" error. It remains, to this day, a vexing unsolved problem in density-functional theory (DFT). Here we report that a 100% exact-exchange-based density functional known as Becke'05 or "B05" [A. D. Becke, J. Chem. Phys. 119, 2972 (2003); 122, 064101 (2005)] predicts excellent charge transfers in classic CT complexes involving the electron donors NH3, C2H4, HCN, and C2H2 and electron acceptors F2 and Cl2. Our approach is variational, as in our recent "B05min" dipole moments paper [Dale et al., J. Chem. Phys. 147, 154103 (2017)]. Therefore B05 is not only an accurate DFT for thermochemistry but is promising as a solution to the delocalization problem as well.

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].

Structure, stability, and electronic properties of AlP nanocages evolved from the world's smallest caged fullerene C20: A computational study at DFT

NASA Astrophysics Data System (ADS)

Baei, Mohammad T.; Koohi, Maryam; Shariati, Minoo

2018-05-01

The stability, geometry, and electronic properties of C20 and its AlnPnC20-2n heterofullerenic derivatives where n = 1-10 are probed, at density functional theory (DFT). Vibrational frequency calculations show that exclusive of Al6P6C8 and Al10P8C2, other species are true minima. Exploring of the optimized structures demonstrates the shrinkage of Cdbnd C double bonds to compensate for the longer Csbnd Al, Csbnd P and Alsbnd P single bonds. The calculated binding energy, HOMO-LUMO gap and nucleus independent chemical shift at the cage center (NICS (0)) of Al1P1C18 shows it the most stable structure. While substituting of 1, 2, 3, 4, 6, and 7 Alsbnd P units enhances kinetic stability of the resulting heterofullerenes against electronic excitations via increasing their HOMO-LUMO gap, doping of 5, 8, 9, and 10 Alsbnd P units increases the conductivity of heterofullerenes through decreasing their band gap. Substitutional doping leads to a high point charge upon the surfaces of all derivatives, especially the highest delocalization on Al6P6C8, with range of -2.056 to -1.261 charged carbons, +1.493 to +1.586 charged aluminums, and +0.513 to +0.801 charged phosphor atoms, followed by Al4P4C12. These high charge distributions on the surfaces of the studied analogous can develop their storage capacity and henceforth characterize them worthy of investigation for hydrogen storage. Also, Al1P1C18, Al2P2C16, and Al10P10 are shown as the most aromatic and anti-aromatic nanocages with NICS (0) of -41.60, -39.82, and +22.59 ppm, respectively, compared to C20 (-19.61 ppm). The computed higher dipole moment of Al1P1C18 and Al5P5C10 (4.06 and 3.29 Debye, respectively) exhibits higher reactivity potential and greater affinity of them to more polar solvents. Thus, in both gas phase and polar solvent, Al1P1C18 structure is expected to be stabilized to a greater extent than the other species, which has been confirmed by the thermodynamic and kinetic data.

A new energy transfer channel from carotenoids to chlorophylls in purple bacteria.

PubMed

Feng, Jin; Tseng, Chi-Wei; Chen, Tingwei; Leng, Xia; Yin, Huabing; Cheng, Yuan-Chung; Rohlfing, Michael; Ma, Yuchen

2017-07-10

It is unclear whether there is an intermediate dark state between the S 2 and S 1 states of carotenoids. Previous two-dimensional electronic spectroscopy measurements support its existence and its involvement in the energy transfer from carotenoids to chlorophylls, but there is still considerable debate on the origin of this dark state and how it regulates the energy transfer process. Here we use ab initio calculations on excited-state dynamics and simulated two-dimensional electronic spectrum of carotenoids from purple bacteria to provide evidence supporting that the dark state may be assigned to a new A g + state. Our calculations also indicate that groups on the conjugation backbone of carotenoids may substantially affect the excited-state levels and the energy transfer process. These results contribute to a better understanding of carotenoid excited states.Carotenoids harvest energy from light and transfer it to chlorophylls during photosynthesis. Here, Feng et al. perform ab initio calculations on excited-state dynamics and simulated 2D electronic spectrum of carotenoids, supporting the existence of a new excited state in carotenoids.

Earthquake-Ionosphere Coupling Processes

NASA Astrophysics Data System (ADS)

Kamogawa, Masashi

After a giant earthquake (EQ), acoustic and gravity waves are excited by the displacement of land and sea surface, propagate through atmosphere, and then reach thermosphere, which causes ionospheric disturbances. This phenomenon was detected first by ionosonde and by HF Doppler sounderin the 1964 M9.2 Great Alaskan EQ. Developing Global Positioning System (GPS), seismogenic ionospheric disturbance detected by total electron content (TEC) measurement has been reported. A value of TEC is estimated by the phase difference between two different carrier frequencies through the propagation in the dispersive ionospheric plasma. The variation of TEC is mostly similar to that of F-region plasma. Acoustic-gravity waves triggered by an earthquake [Heki and Ping, EPSL, 2005; Liu et al., JGR, 2010] and a tsunami [Artu et al., GJI, 2005; Liu et al., JGR, 2006; Rolland, GRL, 2010] disturb the ionosphere and travel in the ionosphere. Besides the traveling ionospheric disturbances, ionospheric disturbances excited by Rayleigh waves [Ducic et al, GRL, 2003; Liu et al., GRL, 2006] as well as post-seismic 4-minute monoperiodic atmospheric resonances [Choosakul et al., JGR, 2009] have been observed after the large earthquakes. Since GPS Earth Observation Network System (GEONET) with more than 1200 GPS receiving points in Japan is a dense GPS network, seismogenic ionospheric disturbance is spatially observed. In particular, the seismogenic ionospheric disturbance caused by the M9.0 off the Pacific coast of Tohoku EQ (henceforth the Tohoku EQ) on 11 March 2011 was clearly observed. Approximately 9 minutes after the mainshock, acoustic waves which propagated radially emitted from the tsunami source area were observed through the TEC measurement (e. g., Liu et al. [JGR, 2011]). Moreover, there was a depression of TEC lasting for several tens of minutes after a huge earthquake, which was a large-scale phenomenon extending to a radius of a few hundred kilometers. This TEC depression may be an ionospheric phenomenon attributed to tsunami, termed tsunamigenic ionospheric hole (TIH) [Kakinami and Kamogwa et al., GRL, 2012]. After the TEC depression accompanying a monoperiodic variation with approximately 4-minute period as an acoustic resonance between the ionosphere and the solid earth, the TIH gradually recovered. In addition, geomagnetic pulsations with the periods of 150, 180 and 210 seconds were observed on the ground in Japan approximately 5 minutes after the mainshock. Since the variation with the period of 180 seconds was simultaneously detected at the magnetic conjugate of points of Japan, namely Australia, field aligned currents along the magnetic field line were excited. The field aligned currents might be excited due to E and F region dynamo current caused by acoustic waves originating from the tsunami. This result implies that a large earthquake generates seismogenic field aligned currents. Furthermore, monoperiodical geomagnetic oscillation pointing to the epicenter of which velocity corresponds to Rayleigh waves occurs. This may occur due to seismogenic arc-current in E region. Removing such magnetic oscillations from the observed data, clear tsunami dynamo effect was found. This result implies that a large EQ generates seismogenic field aligned currents, seismogenic arc-current and tsunami dynamo current which disturb geomagnetic field. Thus, we found the complex coupling process between a large EQ and an ionosphere from the results of Tohoku EQ.

STIM1 signaling controls store operated calcium entry required for development and contractile function in skeletal muscle

PubMed Central

Stiber, Jonathan; Hawkins, April; Zhang, Zhu-Shan; Wang, Sunny; Burch, Jarrett; Graham, Victoria; Ward, Cary C.; Seth, Malini; Finch, Elizabeth; Malouf, Nadia; Williams, R. Sanders; Eu, Jerry P.; Rosenberg, Paul

2009-01-01

It is now well established that stromal interaction molecule 1 (STIM1) is the calcium sensor of endoplasmic reticulum (ER) stores required to activate store-operated calcium entry (SOC) channels at the surface of non-excitable cells. Yet little is known about STIM1 in excitable cells such as striated muscle where the complement of calcium regulatory molecules is rather disparate from that of non-excitable cells. Here, we show that STIM1 is expressed in both myotubes and adult skeletal muscle. Myotubes lacking functional STIM1 fail to exhibit SOC and fatigue rapidly. Moreover, mice lacking functional STIM1 die perinatally from a skeletal myopathy. In addition, STIM1 haploinsufficiency confers a contractile defect only under conditions where rapid refilling of stores would be needed. These findings provide novel insight to the role of STIM1 in skeletal muscle and suggest that STIM1 has a universal role as an ER/SR calcium sensor in both excitable and non-excitable cells. PMID:18488020

Properties of electronically excited states of four squaraine dyes and their complexes with fullerene C70: A theoretical investigation

NASA Astrophysics Data System (ADS)

Zhang, Jian; Li, Tingyu

2017-09-01

Solar cells sensitized by polypyridyl Ru(II) complexes exhibit relatively high efficiency, however those photo-sensitizers did not absorb the photons in the far-red and near-infrared region. At present, squaraine dyes have received considerable attention as their attractively intrinsic red light absorption and unusual high molar extinction coefficient. Here we applied density functional theory and time dependent density functional theory to investigate the properties of electronically excited states of four squaraine dyes and their complexes with fullerene C70. The influences of different functionals, basis sets and solvent effects are evaluated. To understand the photophysical properties, the investigations are basing on a classification method which splits the squaraine dyes and their complexes with fullerene C70 into two units to characterize the intramolecular density distribution. We present the signatures of their electronically excited states which are characterized as local excitation or charge-transfer excitation. The relationship between open-circuit voltage and the number of intramolecular hydrogen bonds in squaraine dyes are discussed.

Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

PubMed

Yang, Yang; Culpitt, Tanner; Hammes-Schiffer, Sharon

2018-04-05

The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically. To enable the study of excited state molecular properties, herein the linear response multicomponent time-dependent density functional theory (TDDFT) is derived and implemented within the NEO framework. Initial applications to FHF - and HCN illustrate that NEO-TDDFT provides accurate proton and electron excitation energies within a single calculation. As its computational cost is similar to that of conventional electronic TDDFT, the NEO-TDDFT approach is promising for diverse applications, particularly nonadiabatic proton transfer reactions, which may exhibit mixed electron-proton vibronic excitations.

The Measurement of the Evaporation Residues Excitation Functions in the Fusion Reactions 144Sm (40Ar,xn) and 166Er(40Ar,xn)

NASA Astrophysics Data System (ADS)

Chernysheva, E. V.; Rodin, A. M.; Belozerov, A. V.; Dmitriev, S. N.; Gulyaev, A. V.; Gulyaeva, A. V.; Itkis, M. G.; Novoselov, A. S.; Oganessian, Yu. Ts.; Salamatin, V. S.; Stepantsov, S. V.; Vedeneev, V. Yu.; Yukhimchuk, S. A.; Krupa, L.; Kliman, J.; Motycak, S.; Sivacek, I.

2015-06-01

The evaporation residues excitation functions for the reactions 40Ar+144Sm→184Hg and 40Ar+166Er→206Rn were measured at the energies below and above the Coulomb barrier (Elab=142-207 MeV) using a mass-separator MASHA. The experimental data were compared with theoretical calculations using a Channel Coupling Model. The influence of experimental beam energy spread on the excitation functions was taking into account. It was found that structure of xn-cross sections correlate strongly with the nuclear structure of colliding nuclei.

Investigation deuteron-induced reactions on cobalt

NASA Astrophysics Data System (ADS)

Ditrói, F.; Tárkányi, F.; Takács, S.; Hermanne, A.; Baba, M.; Ignatyuk, A. V.

2010-09-01

The excitation functions of deuteron-induced reactions were measured on metallic cobalt. Beyond the 56,57,58,60Co cobalt isotopes, we also identified 57Ni, 54Mn, 56Mn and 59Fe in the deuteron experiments. For the above radionuclides, the excitation functions in the measured energy range were determined and compared with the data found in the literature and with the results of model calculations (ALICE-IPPE, EMPIRE-D, EAF, and TALYS (TENDL)). The excitation functions agree with previous measurements; furthermore, we calculated the yield and thin layer activation (TLA) curves that are necessary for practical and industrial applications.

Spiral waves in driven dusty plasma medium: Generalized hydrodynamic fluid description

NASA Astrophysics Data System (ADS)

Kumar, Sandeep; Patel, Bhavesh; Das, Amita

2018-04-01

Spiral waves are observed in many natural phenomena. They have been extensively represented by the mathematical FitzHugh-Nagumo model [Barkley et al., Phys. Rev. A 42, 2489 (1990)] of excitable media. Also, in incompressible fluid simulations, the excitation of thermal spiral waves has been reported by Li et al. [Phys. of Fluids 22, 011701 (2010)]. In the present paper, the spatiotemporal development of spiral waves in the context of weak and strong coupling limits has been shown. While the weakly coupled medium has been represented by a simple fluid description, for strong coupling, a generalized visco-elastic fluid description has been employed. The medium has been driven by an external force in the form of a rotating electric field. It is shown that when the amplitude of force is small, the density perturbations in the medium are also small. In this case, the excitations do not develop as a spiral wave. Only when the amplitude of force is high so as to drive the density perturbations to nonlinear amplitudes does the spiral density wave formation occurs. The role of the forcing frequency and the effect of strong coupling and the sound velocity of medium in the formation and evolution of spiral waves have been investigated in detail.

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

Gupta, Bipin Kumar, E-mail: bipinbhu@yahoo.com; Kumar, Arun; Amity Institute of Applied Science, Amity University, Noida, Uttar Pradesh 201303

Herein, a novel green emitting long-persistent Sr{sub 3}SiAl{sub 4}O{sub 11}:Eu{sup 2+}/Dy{sup 3+} phosphor was synthesized in a single phase form using facile solid state reaction method under the reducing atmosphere of 10% H{sub 2} and 90% N{sub 2}. The resulting phosphor exhibits hyper-sensitive strong broad green emission, peaking at 510 nm upon 340 nm excitation wavelength, which is attributed to the 4f{sup 6}5d{sup 1}-4f{sup 7} transitions of emission center of europium (Eu{sup 2+}) ions. Moreover, the incorporation of dysprosium (Dy{sup 3+}) ions, which act as effective hole trap centers with appropriate depth, largely enhances the photoluminescence characteristics and greatly improves the persistentmore » intense luminescence behavior of Sr{sub 3}SiAl{sub 4}O{sub 11}:Eu{sup 2+}/Dy{sup 3+} phosphor under ultraviolet (UV) excitation. In addition, with the optimum doping concentration and sufficient UV excitation time period, the as-synthesized phosphor can be persisted afterglow for time duration ∼4 h with maximum luminescence intensity. Thus, these results suggest that this phosphor could be expected as an ultimate choice for next generation advanced luminescent materials in security applications such as latent finger-marks detection, photo-masking induced phosphorescent images, and security code detection.« less

Heterostructures with diffused interfaces: Luminescent technique for ascertainment of band alignment type

NASA Astrophysics Data System (ADS)

Abramkin, D. S.; Gutakovskii, A. K.; Shamirzaev, T. S.

2018-03-01

The experimental ascertainment of band alignment type for semiconductor heterostructures with diffused interfaces is discussed. A method based on the analysis of the spectral shift of photoluminescence (PL) band with excitation density (Pex) that takes into account state filling and band bending effects on the PL band shift is developed. It is shown that the shift of PL band maximum position is proportional to ℏωmax ˜ (Ue + Uh).ln(Pex) + b.Pex1/3, where Ue (Uh) are electron (hole) Urbach energy tail, and parameter b characterizes the effect of band bending or is equal to zero for heterostructures with type-II or type-I band alignment, respectively. The method was approved with InAs/AlAs, GaAs/AlAs, GaSb/AlAs, and AlSb/AlAs heterostructures containing quantum wells.

Franck-Condon simulation of the single-vibronic-level emission spectra of HPCl/DPCl and the chemiluminescence spectrum of HPCl, including anharmonicity.

PubMed

Chau, Foo-Tim; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M

2004-07-22

Restricted-spin coupled-cluster single-double plus perturbative triple excitation [RCCSD(T)] potential energy functions (PEFs) were calculated for the X (2)A" and A (2)A' states of HPCl employing the augmented correlation-consistent polarized-valence-quadruple-zeta (aug-cc-pVQZ) basis set. Further geometry optimization calculations were carried out on both electronic states of HPCl at the RCCSD(T) level with all electron and quasirelativistic effective core potential basis sets of better than the aug-cc-pVQZ quality, and also including some core electrons, in order to obtain more reliable geometrical parameters and relative electronic energy of the two states. Anharmonic vibrational wave functions of the two states of HPCl and DPCl, and Franck-Condon (FC) factors of the A (2)A'-X (2)A" transition were computed employing the RCCSD(T)/aug-cc-pVQZ PEFs. Calculated FC factors with allowance for Duschinsky rotation and anharmonicity were used to simulate the single-vibronic-level (SVL) emission spectra of HPCl and DPCl reported by Brandon et al. [J. Chem. Phys. 119, 2037 (2003)] and the chemiluminescence spectrum reported by Bramwell et al. [Chem. Phys. Lett. 331, 483 (2000)]. Comparison between simulated and observed SVL emission spectra gives the experimentally derived equilibrium geometry of the A (2)A' state of HPCl of r(e)(PCl) = 2.0035 +/- 0.0015 A, theta(e) = 116.08 +/- 0.60 degrees, and r(e)(HP) = 1.4063+/-0.0015 A via the iterative Franck-Condon analysis procedure. Comparison between simulated and observed chemiluminescence spectra confirms that the vibrational population distribution of the A (2)A' state of HPCl is non-Boltzmann, as proposed by Baraille et al. [Chem. Phys. 289, 263 (2003)].

Damping of microwave induced oscillations in the magneto-resistance of high-mobility 2D electrons: role of disorder

NASA Astrophysics Data System (ADS)

Studenikin, Sergei; Potemski, M.; Coleridge, P. T.; Sachrajda, A.; Zawadzki, P.; Ciorga, M.; Pioro-Landriere, M.; Hilke, M.; Pfeiffer, L. N.; West, K. W.

2004-03-01

Microwave induced resistance oscillations (MIROs), first observed by Zudov et al. [1] and Mani et al. [2] in the longitudinal resistance of high mobility 2DEGs are the subject of extensive theoretical and experimental studies. We have reported recently that MIROs can reveal themselves in the Hall effect as well. [3] In this work we study the waveform and damping of the MIROs as a function of temperature and magnetic field with the purpose of clarifying the role of Landau level broadening. MIROs have been measured on a ˜ 10^7 cm^2/Vs mobility 2DEG GaAs/AlGaAs sample using 50 GHz excitation. To complement these studies, we have also measured the Shubnikov de Haas (SdH) oscillations at low magnetic fields on the same sample at temperatures down to ˜ 30mK. We found that the damping of the MIROs and SdH oscillations is given by a very similar functional dependence, although the MIROs are a more robust phenomena with respect to Landau level broadening and temperature. In both cases the amplitude can be described by ˜ exp(-α kT/ ω_c)exp(-D/ ω_c). In our experiment we found that α _SdH =2π ^2 and α _MIROs.ng 0.7. 1. M.A. Zudov, R.R. Du, J.A. Simmons, and J.L. Reno, Phys. Rev. B Phys. Rev. Lett., 90, 46807 (2003) 2. R.G. Mani, J.H. Smet, K. von Klitzing, V. Narayanamurti,W.B. Johnson, and V. Umansky, Nature 420, 646 (2002) 3. S.A. Studenikin, M. Potemski, P.T. Coleridge, A. Sachrajda, Z.R. Wasilewski, Solid State Comm. 129, 341(2004)

Damping of microwave induced oscillations in the magneto-resistance of high-mobility 2D electrons: role of disorder

NASA Astrophysics Data System (ADS)

Studenikin, Sergei; Potemski, M.; Coleridge, P. T.; Sachrajda, A.; Zawadzki, P.; Ciorga, M.; Pioro-Landriere, M.; Hilke, M.; Pfeiffer, L. N.; West, K. W.

2004-03-01

Microwave induced resistance oscillations (MIROs), first observed by Zudov et al. [1] and Mani et al. [2] in the longitudinal resistance of high mobility 2DEGs are the subject of extensive theoretical and experimental studies. We have reported recently that MIROs can reveal themselves in the Hall effect as well. [3] In this work we study the waveform and damping of the MIROs as a function of temperature and magnetic field with the purpose of clarifying the role of Landau level broadening. MIROs have been measured on a ˜ 10^7 cm^2/Vs mobility 2DEG GaAs/AlGaAs sample using 50 GHz excitation. To complement these studies, we have also measured the Shubnikov de Haas (SdH) oscillations at low magnetic fields on the same sample at temperatures down to ˜ 30mK. We found that the damping of the MIROs and SdH oscillations is given by a very similar functional dependence, although the MIROs are a more robust phenomena with respect to Landau level broadening and temperature. In both cases the amplitude can be described by ˜ exp(-α kT/ ω _c)exp(-D/ ω_c). In our experiment we found that α _SdH =2π ^2 and α _MIROs.ng 0.7. 1. M.A. Zudov, R.R. Du, J.A. Simmons, and J.L. Reno, Phys. Rev. B Phys. Rev. Lett., 90, 46807 (2003) 2. R.G. Mani, J.H. Smet, K. von Klitzing, V. Narayanamurti,W.B. Johnson, and V. Umansky, Nature 420, 646 (2002) 3. S.A. Studenikin, M. Potemski, P.T. Coleridge, A. Sachrajda, Z.R. Wasilewski, Solid State Comm. 129, 341(2004)

Direct observation of a Γ -X energy spectrum transition in narrow AlAs quantum wells

NASA Astrophysics Data System (ADS)

Khisameeva, A. R.; Shchepetilnikov, A. V.; Muravev, V. M.; Gubarev, S. I.; Frolov, D. D.; Nefyodov, Yu. A.; Kukushkin, I. V.; Reichl, C.; Tiemann, L.; Dietsche, W.; Wegscheider, W.

2018-03-01

Spectra of magnetoplasma excitations have been investigated in two-dimensional electron systems in AlAs quantum wells (QWs) of different widths. The magnetoplasma spectrum has been found to change profoundly when the quantum well width becomes thinner than 5.5 nm, indicating a drastic change in the conduction electron energy spectrum. The transformation can be interpreted in terms of transition from the in-plane strongly anisotropic Xx-Xy valley occupation to the out-of-plane isotropic Xz valley in the QW plane. Strong enhancement of the cyclotron effective mass over the band value in narrow AlAs QWs is reported.

Production of Ne Auger electrons by Ne/+/ bombardment of Mg and Al surfaces

NASA Technical Reports Server (NTRS)

Ferrante, J.; Pepper, S. V.

1976-01-01

A description is given of experiments which provide evidence for the production of an inner shell vacancy in the Ne by the asymmetric Ne-Mg and Ne-Al collision. In addition, autoionization states of neutral Ne have been observed. These states are to be distinguished from the more usual case in Auger electron spectroscopy of de-excitation of an ion with a core vacancy. The experiments involved the bombardment of Mg and Al surfaces with Ne(+) ions. A LEED-Auger system equipped with an ion gun and a four-grid retarding potential analyzer operated in the usual dN(E)/dE mode was used.

Electron-Impact Cross Sections for Ground State to np Excitations of Sodium and Potassium.

PubMed

Stone, Philip M; Kim, Yong-Ki

2004-01-01

Cross sections for electron impact excitation of atoms are important for modeling of low temperature plasmas and gases. While there are many experimental and theoretical results for excitation to the first excited states, little information is available for excitation to higher states. We present here calculations of excitations from the ground state to the np levels of sodium (n = 3 through 11) and potassium (n = 4 through 12). We also present a calculation for a transition from the excited sodium level 3p to 3d to show the generality of the method. Scaling formulas developed earlier by Kim [Phys. Rev. A 64, 032713 (2001)] for plane-wave Born cross sections are used. These formulas have been shown to be remarkably accurate yet simple to use. We have used a core polarization potential in a Dirac-Fock wave function code to calculate target atom wave functions and a matching form of the dipole transition operator to calculate oscillator strengths and Born cross sections. The scaled Born results here for excitation to the first excited levels are in very good agreement with experimental and other theoretical data, and the results for excitation to the next few levels are in satisfactory agreement with the limited data available. The present results for excitation to the higher levels are believed to be the only data available.

Influence of excitation frequency on the metastable atoms and electron energy distribution function in a capacitively coupled argon discharge

NASA Astrophysics Data System (ADS)

Sharma, S.; Sirse, N.; Turner, M. M.; Ellingboe, A. R.

2018-06-01

One-dimensional particle-in-cell simulation is used to simulate the capacitively coupled argon plasma for a range of excitation frequency from 13.56 MHz to 100 MHz. The argon chemistry set can, selectively, include two metastable levels enabling multi-step ionization and metastable pooling. The results show that the plasma density decreases when metastable atoms are included with higher discrepancy at a higher excitation frequency. The contribution of multistep ionization to the overall density increases with the excitation frequency. The electron temperature increases with the inclusion of metastable atoms and decreases with the excitation frequency. At a lower excitation frequency, the density of Ar** (3p5 4p, 13.1 eV) is higher than that of Ar* (3p5 4s, 11.6 eV), whereas at higher excitation frequencies, the Ar* (3p5 4s, 11.6 eV) is the dominant metastable atom. The metastable and electron temperature profile evolve from a parabolic profile at a lower excitation frequency to a saddle type profile at a higher excitation frequency. With metastable, the electron energy distribution function (EEDF) changes its shape from Druyvesteyn type, at a low excitation frequency, to bi-Maxwellian, at a high frequency plasma excitation; however, a three-temperature EEDF is observed without metastable atoms.

Effect of Variation of Silicon Nitride Passivation Layer on Electron Irradiated Aluminum Gallium Nitride/Gallium Nitride HEMT Structures

DTIC Science & Technology

2014-06-19

the AlGaN is unintentionally doped . Figure 2.3. AlGaN/GaN band diagram showing polarization charges. The band diagram in Figure 2.3 shows...intentionally doped as are MESFETS, and the channel gets its electrons from the unintentional doping . There is less Coulomb scattering in the...temperature measurements are often used to provide spatial PL maps of doping and trap densities. Laser excitation (quasi-monochromatic) is

Temperature dependence of 2DEG and excitonic optical transitions in AlGaN/GaN heterostructures on SiC

NASA Astrophysics Data System (ADS)

Litton, C. W.; Reynolds, D. C.; Hoelscher, J. E.; Collins, T. C.; Fitch, R.; Via, G. D.; Gillespie, J.; Crespo, A.; Jenkins, T. J.; Worley, R.; Saxler, A.

2005-05-01

Four (4) unique optical transitions are reported in both the emission and reflection spectra of high-quality AlGaN/GaN heterostructures. Study of the shifts of spectral peak energies and their intensity variations with temperature, reveal that these transitions arise from Free Exciton recombination and transitions between the A- and B-valence bands and the excited states of the 2-dimensional electron gas (2DEG) at the heterointerface.

Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

NASA Technical Reports Server (NTRS)

Huang, K.-N.

1977-01-01

A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

Changes in neural network homeostasis trigger neuropsychiatric symptoms.

PubMed

Winkelmann, Aline; Maggio, Nicola; Eller, Joanna; Caliskan, Gürsel; Semtner, Marcus; Häussler, Ute; Jüttner, René; Dugladze, Tamar; Smolinsky, Birthe; Kowalczyk, Sarah; Chronowska, Ewa; Schwarz, Günter; Rathjen, Fritz G; Rechavi, Gideon; Haas, Carola A; Kulik, Akos; Gloveli, Tengis; Heinemann, Uwe; Meier, Jochen C

2014-02-01

The mechanisms that regulate the strength of synaptic transmission and intrinsic neuronal excitability are well characterized; however, the mechanisms that promote disease-causing neural network dysfunction are poorly defined. We generated mice with targeted neuron type-specific expression of a gain-of-function variant of the neurotransmitter receptor for glycine (GlyR) that is found in hippocampectomies from patients with temporal lobe epilepsy. In this mouse model, targeted expression of gain-of-function GlyR in terminals of glutamatergic cells or in parvalbumin-positive interneurons persistently altered neural network excitability. The increased network excitability associated with gain-of-function GlyR expression in glutamatergic neurons resulted in recurrent epileptiform discharge, which provoked cognitive dysfunction and memory deficits without affecting bidirectional synaptic plasticity. In contrast, decreased network excitability due to gain-of-function GlyR expression in parvalbumin-positive interneurons resulted in an anxiety phenotype, but did not affect cognitive performance or discriminative associative memory. Our animal model unveils neuron type-specific effects on cognition, formation of discriminative associative memory, and emotional behavior in vivo. Furthermore, our data identify a presynaptic disease-causing molecular mechanism that impairs homeostatic regulation of neural network excitability and triggers neuropsychiatric symptoms.

Analytical excited state forces for the time-dependent density-functional tight-binding method.

PubMed

Heringer, D; Niehaus, T A; Wanko, M; Frauenheim, Th

2007-12-01

An analytical formulation for the geometrical derivatives of excitation energies within the time-dependent density-functional tight-binding (TD-DFTB) method is presented. The derivation is based on the auxiliary functional approach proposed in [Furche and Ahlrichs, J Chem Phys 2002, 117, 7433]. To validate the quality of the potential energy surfaces provided by the method, adiabatic excitation energies, excited state geometries, and harmonic vibrational frequencies were calculated for a test set of molecules in excited states of different symmetry and multiplicity. According to the results, the TD-DFTB scheme surpasses the performance of configuration interaction singles and the random phase approximation but has a lower quality than ab initio time-dependent density-functional theory. As a consequence of the special form of the approximations made in TD-DFTB, the scaling exponent of the method can be reduced to three, similar to the ground state. The low scaling prefactor and the satisfactory accuracy of the method makes TD-DFTB especially suitable for molecular dynamics simulations of dozens of atoms as well as for the computation of luminescence spectra of systems containing hundreds of atoms. (c) 2007 Wiley Periodicals, Inc.

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

Moore, II, Barry; Schrader, Robert L.; Kowalski, Karol

The longest-wavelength π-to-π* electronic excitations of rhodamine-like dyes (RDs) with different group16 heteroatoms (O, S, Se, Te) have been investigated. Time-dependent Kohn–Sham theory (TDKST) calculations were compared with coupled-cluster (CC) and equations-of-motion (EOM) CC results for π-to-π* singlet and triplet excitations. The RDs exhibit characteristics in the TDKST calculations that are very similar to previously investigated cyanine dyes, in the sense that the singlet energies obtained with nonhybrid functionals are too high compared with the CC results at the SD(T) level. The errors became increasingly larger for functionals with increasing amounts of exact exchange. TDKST with all tested functionals ledmore » to severe underestimations of the corresponding triplet excitations and overestimations of the singlet--triplet gaps. Long-range-corrected range-separated exchange and "optimal tuning" of the range separation parameter did not significantly improve the TDKST results. A detailed analysis suggests that the problem is differential electron correlation between the ground and excited states, which is not treated sufficiently by the relatively small integrals over the exchange-correlation response kernel that enters the excitation energy expression. As a result, numerical criteria are suggested that may help identify "cyanine-like" problems in TDKST calculations of excitation spectra.« less

Improved geophysical excitation of length-of-day constrained by Earth orientation parameters and satellite gravimetry products

NASA Astrophysics Data System (ADS)

Yu, Nan; Li, Jiancheng; Ray, Jim; Chen, Wei

2018-05-01

At time scales shorter than about two years, non-tidal LOD variations are mainly excited by angular momentum exchanges between the atmospheric, oceanic, and continental hydrological fluid envelopes and the underlying solid Earth. But, neither agreement among different geophysical models for the fluid dynamics nor consistency with geodetic observations of LOD has reached satisfactory levels. This is mainly ascribed to significant discrepancies and uncertainties in the theories and assumptions adopted by different modeling groups, in their numerical methods, and in the accuracy and coverage of global input data fields. Based on careful comparisons with more accurate geodetic measurements and satellite gravimetry products (from satellite laser ranging, SLR), observed length-of day (LOD) and C20 geopotential time series can provide strong constraints to evaluate or form combined geophysical models. In this study, wavelet decomposition is used to extract several narrow-band components to compare in addition to considering the total signals. We then make refinements to the least difference combination (LDC) method proposed by Chen et al. (2013b) to form multi-model geophysical excitations. Two combination variants, called the weighted mean combination (WMC2 and WMC4), are also evaluated. All the multi-model methods attempt to extract the best-modeled frequency components from each geophysical model by relying on geodetic excitation and the C20 series as references. The comparative performances of the three combinations LDC, WMC2 and WMC4 and the original single models are determined. We find that (1) the Estimating the Circulation and Climate of the Ocean (ECCO) and Max-Planck-Institute for Meteorology Ocean Model (MPIOM) give a more reliable view of the ocean redistributions than the Ocean Model for Circulation and Tides (OMCT) used by European Centre for Medium-Range Weather Forecasts (ECMWF), especially for the annual component; (2) C20 series from SLR can provide a rigorous constraint for the total matter excitation of the geophysical fluids, especially for broadband parts; (3) the Sea-Level Angular Momentum functions (SLAM) term, correcting for sea level effects (global mass balance) put forward by the Earth System Modelling group at GFZ German Research Centre for Geosciences (ESMGFZ), can significantly improve the Hydrospheric Effective Angular Momentum functions (HAM) matter terms; (4) the LDC/WMC combinations are much better than the original individual geophysical model excitations, reducing the magnitude of unexplained LOD excitations to roughly the 10 μs level; (5) the level of residual LOD variations after removing models or model combinations is remarkably invariant with respect to LOD periods between ˜2 months and ˜3 years, being 12 to 14 μs for the best original models and 7 to 12 μs for our combinations; (6) while differences between the IERS 14C04 and the JPL SPACE2015 geodetic LOD time series are not negligible, errors in both series are still not large compared to the geophysical models (for periods >2 months) so the impact on excitation studies is minimal except at semi-annual periods and usually 14C04 compares better with excitation models. The improved geophysical models are recommended to replace the original ones as they present overwhelming advantages.

Jet noise modification by the 'whistler nozzle'

NASA Technical Reports Server (NTRS)

Hasan, M. A. Z.; Islam, O.; Hussain, A. K. M. F.

1984-01-01

The farfield noise characteristics of a subsonic whistler nozzle jet are measured as a function of Mach number (0.25, 0.37, and, 0.51), emission angle, and excitation mode. It is shown that a whistler nozzle has greater total and broadband acoustic power than an excited contraction nozzle; and that the intensity of far-field noise is a function of emission angle, Mach number, and whistler excitation stage. The whistler nozzle excitation produces broadband noise amplification with constant spectral shape; the broadband noise amplification (without associated whistler tones and harmonics) increases omnidirectionally with emission angle at all Mach numbers; and the broadband amplification factor decreases as Mach number and emission angle increase. Finally the whistler nozzle is described as a very efficient but inexpensive siren with applications in not only jet excitation but also acoustics.

Charge-transfer state excitation as the main mechanism of the photodarkening process in ytterbium-doped aluminosilicate fibres

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

Bobkov, K K; Rybaltovsky, A A; Vel'miskin, V V

2014-12-31

We have studied photodarkening in ytterbium-doped fibre preforms with an aluminosilicate glass core. Analysis of their absorption and luminescence spectra indicates the formation of stable Yb{sup 2+} ions in the glass network under IR laser pumping at a wavelength λ = 915 nm and under UV irradiation with an excimer laser (λ = 193 nm). We have performed comparative studies of the luminescence spectra of the preforms and crystals under excitation at a wavelength of 193 nm. The mechanism behind the formation of Yb{sup 2+} ions and aluminium – oxygen hole centres (Al-OHCs), common to ytterbium-doped YAG crystals and aluminosilicatemore » glass, has been identified: photoinduced Yb{sup 3+} charge-transfer state excitation. (optical fibres)« less

Optical properties of 3d transition-metal-doped MgAl2O4 spinels

NASA Astrophysics Data System (ADS)

Izumi, K.; Miyazaki, S.; Yoshida, S.; Mizokawa, T.; Hanamura, E.

2007-08-01

Strong emission bands in the visible region are observed in MgAl2O4 crystals doped with transition-metal ions under excitation at the band-to-band transitions. We report optical responses of Cr-, Co-, and Ni-doped MgAl2O4 and present optical models for M -doped MgAl2O4 ( M=Ti , V, Cr, Mn, Co, and Ni) to describe the charge-transfer transitions and the transitions between multiplet levels of 3d electrons, which are observed competitively or coexisting, depending on the number of 3d electrons. While the optical responses of Cr- and Ni-doped MgAl2O4 are dominated by the multiplet-multiplet transitions, those of Ti- and V-doped MgAl2O4 are governed by the charge-transfer transitions. The two kinds of transitions coexist in the Mn- and Co-doped MgAl2O4 . These behaviors are well understood based on the numerical results of unrestricted Hartree-Fock approximation.