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Sample records for al excitation function

  1. Measurement and analysis of excitation functions in 20Ne + 27Al system

    International Nuclear Information System (INIS)

    Pachouri, Dipti; Singh, D.; Ali, R.; Afzal Ansari, M.; Rashid, M.H.

    2008-01-01

    In the present work, the excitation functions (EFs) for radioactive residues produced in the interaction of 20 Ne ion with 27 Al have been measured in order to study the reaction dynamics, particularly in the low mass region using the off-line γ-ray measurement activation technique for bombarding energies below 150 MeV

  2. Measurement of nuclear potentials from fusion excitation functions

    International Nuclear Information System (INIS)

    Huizenga, J.R.; Birkelund, J.R.

    1984-01-01

    The basis for measuring nuclear potentials from fusion excitation functions at energies above barrier is reviewed. It is argued that because of experimental and conceptual problems fusion excitation functions at high energies cannot lead to model independent measurements of internuclear potential at small separations. The Al 27 + Ne 20 reaction previously analyzed by others is used as an example of problems arising from the inability to distinguish complete and incomplete fusion in experimental data

  3. Excitation function for the population of the 4.51 MeV state of 27Al inelastic proton scattering. Evidence for 6- strength?

    International Nuclear Information System (INIS)

    Spicer, B.M.; Koutsoliotas, S.

    1995-01-01

    The excitation function for emission of 2.30 MeV gamma rays from the 4.51 MeV state of 27 Al formed in inelastic proton scattering has been measured for proton energies from 5.6 to 7.3 MeV. A resonance previously seen in both inelastic electron and proton scattering from 28 Si at 17.35 MeV has been observed as a resonance in the excitation function, as well as seven other resonances, all of which are narrow (i.e., less than 100 keV wide). It is suggested that these may represent fragments of 6 - strength in 28 Si. 6 refs., 1 tab., 2 figs

  4. Rotational Excitation of Aluminium Monofluoride (AlF) by He Atom at Low Temperature

    International Nuclear Information System (INIS)

    Owono Owono, L.C.; Gotoum, N.; Nkem, C.; Hammami, K.; Jaidane, N.

    2010-05-01

    We report on the calculation of collision induced rotational excitation cross sections and rate coefficients of AlF by He atom at low temperature. These quantities were obtained by first computing the interaction potential energy surface (PES) of the AlF(X 1 Σ + )-He( 1 S) van der Waals complex at the ab initio Coupled Cluster with Single and Double and perturbative Triple excitations [CCSD(T)] level of theory. The aug-cc-pVQZ guassian basis, to which was added a set of bond functions, was used for that purpose. The calculations account for basis set superposition errors (BSSE). The interaction potential presents a minimum of ∼24 cm -1 below the AlF-He dissociation limit. The PES was fitted on a basis of Legendre polynomial functions to allow for the calculation of cross sections in the close-coupling (CC) approach. By averaging these cross sections over a Maxwell-Boltzmann velocity distribution, rate coefficients were inferred at low temperatures (T ≤ 300 K). From our computations, a propensity towards ΔJ = 1 transitions is observed. (author)

  5. Determination of Al concentration in Al doped ZnO using Auger spectra excited by Mo X-rays

    International Nuclear Information System (INIS)

    Toth, J.; Koever, L.; Cserny, I.; Varga, D.

    2006-01-01

    Complete text of publication follows. A good conductor with excellent transparency is of crucial importance for the window layer of CIGS solar cells. Al doped ZnO is a good candidate for this purpose, its conductivity depends on the concentration and chemical state of the Al dopant atoms. It was demonstrated that the non-conventional XPS using Mo X-rays for excitation is a very sensitive tool for the detection of Al, P, Si [1, 2, 3]. The present paper compares the experimental ratios for Zn/Al photoinduced peak intensity ratios obtained using both Al and Mo X-ray excitations. The Mo excited Zn/Al intensity ratios can be determined with higher selectivity and sensitivity than the Zn/Al intensity ratios excited by Al X-rays. The experiments were performed with a hemispherical deflector electron spectrometer [4]. The chemical state of the Al was identified to be close to that in Al 2 O 3 . The atomic concentrations were determined using a calibration curve based on ZnO/Al samples with known composition of Al. The energy dependent efficiency of the electron spectrometer was determined comparing REELS spectra of Cu specimen to standard spectra measured by K. Goto (Nagoya Institute of Technology, Japan). For evaluation of the Al atomic concentrations from the measured photoelectron intensities the photoionisation cross-sections of Band et al [5] and the IMFP data of S. Tanuma et al [6] and C.J. Powell and A. Jablonski [7] were used. (author)

  6. Excited-state density functional theory

    International Nuclear Information System (INIS)

    Harbola, Manoj K; Hemanadhan, M; Shamim, Md; Samal, P

    2012-01-01

    Starting with a brief introduction to excited-state density functional theory, we present our method of constructing modified local density approximated (MLDA) energy functionals for the excited states. We show that these functionals give accurate results for kinetic energy and exchange energy compared to the ground state LDA functionals. Further, with the inclusion of GGA correction, highly accurate total energies for excited states are obtained. We conclude with a brief discussion on the further direction of research that include the construction of correlation energy functional and exchange potential for excited states.

  7. Synaptic dysfunction and altered excitability in C9ORF72 ALS/FTD.

    Science.gov (United States)

    Starr, Alexander; Sattler, Rita

    2018-02-14

    Amyotrophic lateral sclerosis (ALS) is characterized by a progressive degeneration of upper and lower motor neurons, resulting in fatal paralysis due to denervation of the muscle. Due to genetic, pathological and symptomatic overlap, ALS is now considered a spectrum disease together with frontotemporal dementia (FTD), the second most common cause of dementia in individuals under the age of 65. Interestingly, in both diseases, there is a large prevalence of RNA binding proteins (RBPs) that are mutated and considered disease-causing, or whose dysfunction contribute to disease pathogenesis. The most common shared genetic mutation in ALS/FTD is a hexanucleuotide repeat expansion within intron 1 of C9ORF72 (C9). Three potentially overlapping, putative toxic mechanisms have been proposed: loss of function due to haploinsufficient expression of the C9ORF72 mRNA, gain of function of the repeat RNA aggregates, or RNA foci, and repeat-associated non-ATG-initiated translation (RAN) of the repeat RNA into toxic dipeptide repeats (DPRs). Regardless of the causative mechanism, disease symptoms are ultimately caused by a failure of neurotransmission in three regions: the brain, the spinal cord, and the neuromuscular junction. Here, we review C9 ALS/FTD-associated synaptic dysfunction and aberrant neuronal excitability in these three key regions, focusing on changes in morphology and synapse formation, excitability, and excitotoxicity in patients, animal models, and in vitro models. We compare these deficits to those seen in other forms of ALS and FTD in search of shared pathways, and discuss the potential targeting of synaptic dysfunctions for therapeutic intervention in ALS and FTD patients. Copyright © 2018. Published by Elsevier B.V.

  8. Excited states of hydrogen shallow impurities in GaAs-Ga Al As quantum wells

    International Nuclear Information System (INIS)

    Neves Carneiro, Gleise das

    1994-01-01

    The study of shallow impurities in semiconductor heterostructures, such as quantum and superlattices, has been of continuous interest over the last years. Successful comparisons between experimental results photoluminescence: N.N Ledentsov et al., Appl. Phys. A 54, 261 (1992) and theoretical calculations [L.E. Oliveira and G.D. Mahan, Phys. Rev. B 47, 2406 (1993)] constitute a strong motivation for an in-depth theoretical study. We present a variational calculation of the binding energies of shallow donors in a Ga-As-AlGaAs quantum well. The energies and variational wave functions associated to the ground state (1s-like) as well as some excited states (2s, 2p xy , 2p xy , 3s, 3p xy , and 3p like) are obtained as functions of the position of the impurity (z i ) in the well. The density of impurity states, intra-donor transition strengths and the infrared absorption spectra are calculated for some of these excited states and results compared with previous theoretical [S. Fraizzoli, F. Bassani, and R. Buczko, Phys. rev. B 41, 5096 (1990)] and experimental works [N.C. Jarosik et al., Phys. Rev. Lett. 54, 1283 (1985). (author)

  9. Precise measurement of the sup 2 sup 7 Al(n,2n) sup 2 sup 6 sup g Al excitation function near threshold and its relevance for fusion-plasma technology

    CERN Document Server

    Wallner, A; Priller, A; Steier, P; Vonach, H; Chuvaev, S V; Filatenkov, A A; Ikeda, Y; Mertens, G; Rochow, W

    2003-01-01

    A new accurate measurement of the sup 2 sup 7 Al(n,2n) sup 2 sup 6 Al excitation function leading to the ground state of sup 2 sup 6 Al(t sub 1 sub / sub 2 =7.1 x 10 sup 5 years) in the near-threshold region (E sub t sub h =13.55 MeV) was performed, with the goal to achieve relative cross-sections with the highest accuracy possible using proven methods. In addition, the measurements were also designed to provide good absolute cross-section values, since absolute cross-sections are important for radioactive waste predictions in future fusion reactor materials. Samples of Al metal were irradiated with neutrons in the energy range near threshold (E sub n =13.5-14.8 MeV) in Vienna and St. Petersburg, and at 14.8 MeV in Tokai-mura. In addition, irradiations with neutrons of higher energies (17 and 19 MeV) were performed in Tuebingen, to obtain also cross-section values well above threshold. The amount of sup 2 sup 6 Al produced during the irradiations was measured via accelerator mass spectrometry (AMS). With this...

  10. Assessment of oscillator strengths with multiconfigurational short-range density functional theory for electronic excitations in organic molecules

    DEFF Research Database (Denmark)

    Hedegård, Erik Donovan

    2017-01-01

    considered the large collection of organic molecules whose excited states were investigated with a range of electronic structure methods by Thiel et al. As a by-product of our calculations of oscillator strengths, we also obtain electronic excitation energies, which enable us to compare the performance......We have in a series of recent papers investigated electronic excited states with a hybrid between a complete active space self-consistent field (CASSCF) wave function and density functional theory (DFT). This method has been dubbed the CAS short-range DFT method (CAS–srDFT). The previous papers...

  11. Molecular excited states from the SCAN functional

    Science.gov (United States)

    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.

  12. Fluctuations of charge variance and interaction time for dissipative processes in 27 Al + 27 Al collision

    International Nuclear Information System (INIS)

    Berceanu, I.; Andronic, A.; Duma, M.

    1999-01-01

    The systematic studies of dissipative processes in light systems were completed with experiments dedicated to the measurement of the excitation functions in 19 F + 27 Al and 27 Al + 27 Al systems in order to obtain deeper insight on DNS configuration and its time evolution. The excitation function for 19 F + 27 Al system evidenced fluctuations larger than the statistical errors. Large Z and angular cross correlation coefficients supported their non-statistical nature. The energy dependence of second order observables, namely the second moment of the charge distribution and the product ω·τ (ω - the angular velocity of the DNS and τ its mean lifetime) extracted from the angular distributions were studied for 19 F + 27 Al case. In this contribution we are reporting the preliminary results of similar studies performed for 27 Al + 27 Al case. The variance of the charge distribution were obtained fitting the experimental charge distribution with a Gaussian centered on Z = 13 and the product ω·τ was extracted from the angular distributions. The results for 19 F + 27 Al case are confirmed by a preliminary analysis of the data for 27 Al + 27 Al system. The charge variance and ω·τ excitation functions for Z = 11 fragment are represented together with the excitation function of the cross section. One has to mention that the data for 27 Al + 27 Al system were not corrected for particle evaporation processes. The effect of the evaporation corrections on the excitation function was studied using a Monte Carlo simulation. The α particle evaporation was also included and the evaluation of the particle separation energies was made using experimental masses of the fragments. The excitation functions for 27 Al + 27 Al system for primary and secondary fragments were simulated. No structure due to particle evaporation was observed. The correlated fluctuations in σ Z and ω·τ excitation functions support a stochastic exchange of nucleons as the main mechanism for

  13. Relative excitation functions for singly-excited and core-excited levels of S V--S IX populated by the beam-foil interaction

    International Nuclear Information System (INIS)

    Moenke, D.; Bengtsson, P.; Engstroem, L.; Hutton, R.; Jupen, C.; Kirm, M.; Westerlind, M.

    1994-01-01

    We have investigated the relative excitation functions for low-lying singly excited and low-lying core-excited levels in S V (S 4+ ) to S IX (S 8+ ) after beam-foil excitation using ions in the energy range 2--10 MeV. The spectral line intensities have been normalized to the same number of particles at each ion energy and corrections for the level lifetimes have been made. The overall accuracy of the measured relative excitation function at each energy and charge state is estimated to be better than 2%. A comparison of the relative excitation functions for singly excited and core-excited lines shows a difference in S VII, but not in S VI

  14. Magnetophonon resonance in photoluminescence excitation spectra of magnetoexcitons in GaAs/Al0.3Ga0.7As superlattice

    DEFF Research Database (Denmark)

    Dickmann, S.; Tartakovskii, A. I.; Timofeev, V. B.

    2000-01-01

    A strong increase in the intensity of the peaks of excited magnetoexciton (ME) states in the photoluminescence excitation (PLE) spectra recorded for the ground heavy-hole magnetoexcitons (of the 1sHH type) has been found in a GaAs/Al0.3Ga0.7As superlattice in strong magnetic field B applied normal...... to the sample layers. While varying B, the intensities of the PLE peaks have been measured as functions of energy separation Delta E between excited ME peaks and the ground state of the system. The resonance profiles have been found to have maxima at Delta E-max close to the energy of the GaAs LO phonon...

  15. Electron distribution function in electron-beam-excited plasmas

    International Nuclear Information System (INIS)

    Brau, C.A.

    1976-01-01

    In monatomic plasmas excited by high-intensity relativistic electron beams, the electron secondary distribution function is dominated by elastic electron-electron collisions at low electron energies and by inelastic electron-atom collisions at high electron energies (above the excitation threshold). Under these conditions, the total rate of excitation by inelastic collisions is limited by the rate at which electron-electron collisions relax the distribution function in the neighborhood of the excitation threshold. To describe this effect quantitatively, an approximate analytic solution of the electron Boltzmann equation is obtained, including both electron-electron and inelastic collisions. The result provides a simple formula for the total rate of excitation

  16. Excited states of hydrogen shallow impurities in GaAs-Ga Al As quantum wells; Estados excitados de impurezas hidrogenoides rasas em pocos quanticos de GaAs-GaAlAs

    Energy Technology Data Exchange (ETDEWEB)

    Neves Carneiro, Gleise das

    1994-12-31

    The study of shallow impurities in semiconductor heterostructures, such as quantum and superlattices, has been of continuous interest over the last years. Successful comparisons between experimental results photoluminescence: N.N Ledentsov et al., Appl. Phys. A 54, 261 (1992) and theoretical calculations [L.E. Oliveira and G.D. Mahan, Phys. Rev. B 47, 2406 (1993)] constitute a strong motivation for an in-depth theoretical study. We present a variational calculation of the binding energies of shallow donors in a Ga-As-AlGaAs quantum well. The energies and variational wave functions associated to the ground state (1s-like) as well as some excited states (2s, 2p{sub xy}, 2p{sub xy}, 3s, 3p{sub xy}, and 3p like) are obtained as functions of the position of the impurity (z{sub i}) in the well. The density of impurity states, intra-donor transition strengths and the infrared absorption spectra are calculated for some of these excited states and results compared with previous theoretical [S. Fraizzoli, F. Bassani, and R. Buczko, Phys. rev. B 41, 5096 (1990)] and experimental works [N.C. Jarosik et al., Phys. Rev. Lett. 54, 1283 (1985)]. (author) 53 refs., 16 figs., 1 tab.

  17. Axonal excitability properties in amyotrophic lateral sclerosis.

    Science.gov (United States)

    Vucic, Steve; Kiernan, Matthew C

    2006-07-01

    To investigate axolemmal ion channel function in patients diagnosed with sporadic amyotrophic lateral sclerosis (ALS). A recently described threshold tracking protocol was implemented to measure multiple indices of axonal excitability in 26 ALS patients by stimulating the median motor nerve at the wrist. The excitability indices studied included: stimulus-response curve (SR); strength-duration time constant (tauSD); current/threshold relationship; threshold electrotonus to a 100 ms polarizing current; and recovery curves to a supramaximal stimulus. Compound muscle action potential (CMAP) amplitudes were significantly reduced in ALS patients (ALS, 2.84+/-1.17 mV; controls, 8.27+/-1.09 mV, P<0.0005) and the SR curves for both 0.2 and 1 ms pulse widths were shifted in a hyperpolarized direction. Threshold electrotonus revealed a greater threshold change to both depolarizing and hyperpolarizing conditioning stimuli, similar to the 'fanned out' appearance that occurs with membrane hyperpolarization. The tauSD was significantly increased in ALS patients (ALS, 0.50+/-0.03 ms; controls, 0.42+/-0.02 ms, P<0.05). The recovery cycle of excitability following a conditioning supramaximal stimulus revealed increased superexcitability in ALS patients (ALS, 29.63+/-1.25%; controls, 25.11+/-1.01%, P<0.01). Threshold tracking studies revealed changes indicative of widespread dysfunction in axonal ion channel conduction, including increased persistent Na+ channel conduction, and abnormalities of fast paranodal K+ and internodal slow K+ channel function, in ALS patients. An increase in persistent Na+ conductances coupled with reduction in K+ currents would predispose axons of ALS patients to generation of fasciculations and cramps. Axonal excitability studies may provide insight into mechanisms responsible for motor neuron loss in ALS.

  18. Range-separated density-functional theory for molecular excitation energies

    International Nuclear Information System (INIS)

    Rebolini, E.

    2014-01-01

    Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to compute molecular excitation energies. However, within the usual adiabatic semi-local approximations, it is not able to describe properly Rydberg, charge-transfer or multiple excitations. Range separation of the electronic interaction allows one to mix rigorously density-functional methods at short range and wave function or Green's function methods at long range. When applied to the exchange functional, it already corrects most of these deficiencies but multiple excitations remain absent as they need a frequency-dependent kernel. In this thesis, the effects of range separation are first assessed on the excitation energies of a partially-interacting system in an analytic and numerical study in order to provide guidelines for future developments of range-separated methods for excitation energy calculations. It is then applied on the exchange and correlation TDDFT kernels in a single-determinant approximation in which the long-range part of the correlation kernel vanishes. A long-range frequency-dependent second-order correlation kernel is then derived from the Bethe-Salpeter equation and added perturbatively to the range-separated TDDFT kernel in order to take into account the effects of double excitations. (author)

  19. Band-to-band and inner shell excitation VIS-UV photoluminescence of quaternary InAlGaN alloys

    International Nuclear Information System (INIS)

    Fukui, K.; Naoe, S.; Okada, K.; Hamada, S.; Hirayama, H.

    2006-01-01

    Visible and ultraviolet photoluminescence and photoluminescence excitation spectra of quaternary InAlGaN alloys were measured. The excitation photon energy covers from band edge to 180 eV, near both nitrogen K (∝400 eV) and aluminium K (∝1.5 keV) inner shell energy region. From photoluminescence excitation spectra photoluminescence intensity per incident photon number varies in proportion to incident photon energy. This result implies that many conduction band electron - valence band hole pairs which are responsible for photoluminescence are produced by high energy excitation. Time resolved decay curves were also measured in the same energy region. No effect of high energy excitation on time resolved decay measurements suggests a role of indium on the photoluminescence mechanism in InAlGaN system. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Evidence for charge exchange effects in electronic excitations in Al by slow singly charged He ions

    Energy Technology Data Exchange (ETDEWEB)

    Riccardi, P., E-mail: Pierfrancesco.riccardi@fis.unical.it [Dipartimento di Fisica, Università della Calabria and INFN Gruppo collegato di Cosenza, Via P. Bucci cubo 31C, 87036 – Arcavacata di Rende, Cosenza (Italy); Sindona, A. [Dipartimento di Fisica, Università della Calabria and INFN Gruppo collegato di Cosenza, Via P. Bucci cubo 31C, 87036 – Arcavacata di Rende, Cosenza (Italy); Dukes, C.A. [Laboratory for Astrophysics and Surface Physics, Materials Science and Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States)

    2016-09-01

    We report on experiments of secondary electron emission in the interaction of helium ions with aluminum surfaces. Comparison between the electron emission induced by the impact of {sup 3}He{sup +} and {sup 4}He{sup +} on Al illustrates similarities and differences between the two projectiles. The intensity of emission shows the same dependence on velocity for the two isotopes, showing that KEE yields for helium ions impact on Al are dominated by direct excitation of valence electrons and not by electron promotion. Electron promotion and charge transfer processes are unambiguously identified by the observation of Auger electron emission from Al, at energies below the excitation threshold of Al–Al collisions, indicating energy losses for the projectiles higher than those commonly considered.

  1. Two- and three-photon excitation of Gd3+ in CaAl12O19

    International Nuclear Information System (INIS)

    Heerdt, M.L.H. ter; Basun, S.A.; Imbusch, G.F.; Yen, W.M.

    2002-01-01

    We have employed two-photon excitation to study the higher energy levels of Gd 3+ ions in CaAl 12 O 19 and we compare the results with those obtained using conventional UV excitation techniques. Under two-photon excitation, the luminescence intensity exhibits an unusual temporal behavior, a very long build-up followed by a decrease by orders of magnitude, ascribed to a recombination-assisted luminescence excitation mechanism assuming photo-ionization of Gd 3+ ions and trapping of free electrons on deep traps. We also find that the two-photon excitation spectra contain an additional broadening contribution which can be attributed to homogeneous broadening of excitation levels caused by excited state absorption into the conduction band. We believe that this may be a general phenomenon whenever participating photons produce ionization of impurity ions from metastable excited states. The phenomenon can manifest itself also in two-photon ionization spectral hole burning and in up-conversion processes (in the latter case, the homogeneous broadening can be caused by an intra-ion excited-state absorption)

  2. Internuclear potentials from heavy ion fusion excitation functions

    International Nuclear Information System (INIS)

    Birkelund, J.R.; Huizenga, J.R.

    1977-01-01

    A discussion is given of the determination of internuclear potentials from heavy ion fusion excitation functions. It is found that this calculation is complicated by the difficulties involved in a calculation of the frictional energy loss and by the problem of measurement of excitation function with sufficient accuracy to closely define the barrier radius. Any quantitative comparisons made between the nuclear potential derived from fusion data and theoretical nuclear potentials depend upon the solutions of the above problems. 15 references

  3. Rydberg energies using excited state density functional theory

    International Nuclear Information System (INIS)

    Cheng, C.-L.; Wu Qin; Van Voorhis, Troy

    2008-01-01

    We utilize excited state density functional theory (eDFT) to study Rydberg states in atoms. We show both analytically and numerically that semilocal functionals can give quite reasonable Rydberg energies from eDFT, even in cases where time dependent density functional theory (TDDFT) fails catastrophically. We trace these findings to the fact that in eDFT the Kohn-Sham potential for each state is computed using the appropriate excited state density. Unlike the ground state potential, which typically falls off exponentially, the sequence of excited state potentials has a component that falls off polynomially with distance, leading to a Rydberg-type series. We also address the rigorous basis of eDFT for these systems. Perdew and Levy have shown using the constrained search formalism that every stationary density corresponds, in principle, to an exact stationary state of the full many-body Hamiltonian. In the present context, this means that the excited state DFT solutions are rigorous as long as they deliver the minimum noninteracting kinetic energy for the given density. We use optimized effective potential techniques to show that, in some cases, the eDFT Rydberg solutions appear to deliver the minimum kinetic energy because the associated density is not pure state v-representable. We thus find that eDFT plays a complementary role to constrained DFT: The former works only if the excited state density is not the ground state of some potential while the latter applies only when the density is a ground state density.

  4. Effects of dynamic aspects on fusion excitation functions

    International Nuclear Information System (INIS)

    Hassan, G.S.

    2008-01-01

    As an extension of the macroscopic theory, the nucleus- nucleus fusion has been described in terms of the chaotic regime dynamics (liquid drop potential energy plus one body dissipation).Three milestone configurations are attended : the touching , the conditional saddle point and the unconditional saddle one. We would like to deduce the associated extra push and extra-extra push energy values required to carry the system between these configurations, respectively. The next step is to light on the effect of these limiting values on the fusion excitation functions and their significance for accurate fitting of the measured functions for larger values of the angular momentum. It is found that there is a limiting values of excitation energy and angular momentum for each interacting pair, over which these aspects must be considered to fit the excitation functions of different nucleus nucleus fusion .These values were found to be in relation with the limiting angular momentum for fusion in major cases

  5. Excitation functions of the 98Mo+d reactions

    International Nuclear Information System (INIS)

    Zarubin, P.P.; Padalko, V.Yu.; Khrisanfov, Yu.V.; Lebedev, P.P.; Podkopaev, Yu.N.

    The excitation functions of the 98 Mo+d reactions were studied. The energy dependence of (d,p),(d,n) and (d,α) reactions was investigated by the activation analysis. The energies of deuterons in the range (6-12) MeV were determined by means of the aluminium filters. 98 Mo foils with surface densities of 1.02, 0.23 and 0.14 mgxcm -2 with 98 Mo enrichment of 94.1% were used as targets. The gamma spectra were measured by a Ge(Li) detector. The 98 Mo(d,p) 99 Mo reaction excitation function was determined via detection of 739 and 181 keV γ-radiation of 99 Mo (Tsub(1/2)=66.47h); 140 keV γ-radiation of 99 Tc (Tsub(1/2)=6h) was detected for the 98 Mo(d,n) 99 Tc reaction excitation function determination and 460, 568, 1091, 1200 and 1492 keV γ-quanta of 96 Nb (Tsub(1/2)=23.35h) - for the 98 Mo(d,α) 96 Nb reaction. In the excitation function the wide extremum was observed at Esub(d) approximately 10 MeV. The ratio of cross sections σsup(m)(d,n)/σ(d,p) on the 98 Mo target was determined. The ratio σsup(m)(d,n)/σ(d,p) was found to be decreasing function of the deuteron energy. The relative cross sections were determined with an accuracy of +-5%, while for the absolute values of cross sections the accuracy was +-15%

  6. Evaluation excitation functions for "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si, and "1"1"3In(n,γ)"1"1"4"mIn reactions

    International Nuclear Information System (INIS)

    Zolotarev, K.I.

    2014-10-01

    Cross section data for "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si and "1"1"3In(n,γ)"1"1"4"mIn reactions are needed for solving a wide spectrum of scientific and technical tasks. The excitation function of "2"8Si(n,p)"2"8Al reaction refers to the nuclear data involved in fusion reactor design calculations. The "2"8Si(n,p)"2"8Al reaction is interesting also as the monitor reaction for measurements at fusion facilities. Activation detectors on the basis of the 31P(n,p)31Si reaction are commonly used in the reactor dosimetry. The "1"1"3In(n,γ)"1"1"4"mIn reaction is promising regarding reactor dosimetry application for two reasons. First, due to the "1"1"4"mIn decay parameters which are rather suitable for activation measurements. Half-life of "1"1"4"mIn is equal to T_1/_2 = (49.51 ± 0.01) days and gamma spectrum accompanying decay has only one line with energy 190.27 keV and intensity (15.56 ± 0.15)%. Second, the "1"1"3In(n,γ)"1"1"4"mIn reaction rate may be measured by using one activation detector simultaneously with the "1"1"5In(n,γ)"1"1"6"mIn reaction. Preliminary analysis of existing evaluated excitation functions for "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si and "1"1"3In(n,γ)"1"1"4"mIn reactions show that new evaluations are needed for all above mentioned reactions. This report is devoted to the preparation of the new evaluations of cross sections data and related covariance matrixes of uncertainties for the "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si and "1"1"3In(n,γ)"1"1"4"mIn reactions.

  7. The Hawkes process with different excitation functions and its asymptotoc behavior

    DEFF Research Database (Denmark)

    Fierro, Raúl; Leiva, Víctor; Møller, Jesper

    The standard Hawkes process is constructed from a homogeneous Poisson process and using the same exciting function for dierent generations of offspring. We propose an extension of this process by considering different exciting functions. This consideration could be important to be taken into acco......The standard Hawkes process is constructed from a homogeneous Poisson process and using the same exciting function for dierent generations of offspring. We propose an extension of this process by considering different exciting functions. This consideration could be important to be taken...... into account in a number of fields; e.g. in seismology, where main shocks produce aftershocks with possibly different intensities. The main results are devoted to the asymptotic behavior of this extension of the Hawkes process. Indeed, a law of large numbers and a central limit theorem are stated...

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  10. Dependence of the giant dipole strength function on excitation energy

    International Nuclear Information System (INIS)

    Draper, J.E.; Newton, J.O.; Sobotka, L.G.; Lindenberger, H.; Wozniak, G.J.; Moretto, L.G.; Stephens, F.S.; Diamond, R.M.; McDonald, R.J.

    1982-01-01

    Spectra of γ rays associated with deep-inelastic products from the 1150-MeV 136 Xe+ 181 Ta reaction have been measured. The yield of 10--20-MeV γ rays initially increases rapidly with the excitation energy of the products and then more slowly for excitation energies in excess of 120 MeV. Statistical-model calculations with ground-state values of the giant dipole strength function fail to reproduce the shape of the measured γ-ray spectra. This suggests a dependence of the giant dipole strength function on excitation energy

  11. Local density approximation for exchange in excited-state density functional theory

    OpenAIRE

    Harbola, Manoj K.; Samal, Prasanjit

    2004-01-01

    Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate excitation energies.

  12. Relaxation electron excitations in Al2O3, Y3Al5O12 and YAlO3

    International Nuclear Information System (INIS)

    Kuznetsov, A.I.; Namozov, B.R.; Myurk, V.V.

    1985-01-01

    Excitation spectra of short-wave Al 2 O 3 , YAlO 3 and Y 3 Al 5 O 12 crystal luminescence, cathodoluminescence (including time resolution) and lay-temperature thermoluminescence are investigated. Analysis of experimental data permits to distingnish among these objects pairs of bands of supposedly characteristic luminescences: 7.5 and 3.8 eV (Al 2 O 3 ), 5.9 and 4.2 eV (YAlO 3 ), and 4.9 and 4.2 eV (Y 3 Al 5 O 12 ), where recombination luminescence is characteristic for long-wave ones, at that time exciton-like luminescence - for short-wave ones. A hypothesis about strong difference between states of an autolocalized exciton and ''autolocalized hole + electron'' (responsible for short-wave and long-wave bands of characteristic luminescence) is expressed; the difference is based on their genetic origin from different regions of a valent zone (in particular, long-wave bands - from the subzone of heavy holes of a valent zone ceiling, originating from nonbinding 2p-orbitals of oxygen)

  13. Faraday waves under time-reversed excitation.

    Science.gov (United States)

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

    2013-03-01

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

  14. Excitation function of ''7''4Ge(n, α)''7''1''mZn reaction in the energy range 13.82-14.70 MeV

    International Nuclear Information System (INIS)

    Halim, M.A.; Hafiz, M.A.; Naher, K.; Miah, R.U.; Ullah, M.R.

    2003-01-01

    The excitation function of the reaction ''7''4Ge(n, α)''7''1''mZn is measured by activation technique using high resolution HPGe detector gamma ray spectroscopy. Monoenergetic neutrons are produced via D-T reaction at J-25 neutron generator facility of the Institute of Nuclear Science and Technology, AERE, Bangladesh. The neutron flux measurement was done at different energy position in the range 13.82-14.70 MeV using the monitor reaction ''2''7Al(n, α)''2''4Na. The measured cross section values along with the literature data are plotted as a function of neutron energy to get the excitation function of the reaction. A theoretical calculation is also performed to produce the excitation function of the investigated reaction using statistical code SINCROS-II. The measured data are to be found to be in good agreement with the literature data and the theoretical cross section values. (author)

  15. 26Mg(p,n)26Al and 23Na(α,n)26Al reactions

    International Nuclear Information System (INIS)

    Skelton, R.T.

    1985-01-01

    Cross sections for the 26 Mg(p,n) 26 Al reaction were measured from threshold at 4.988 MeV to 5.820 MeV. Cross sections for the 23 Na(α,n) 26 Al reaction were measured from threshold at 3.483 MeV to 4.597 MeV. In each case, separate measurements were to the ground state and to the first and second excited states of 26 Al. Cross sections for the inverse reactions were calculated and reaction rate factors relating to the destruction of 26 Al in a supernova environment were determined. Astrophysical implications relating to the observation of live and extinct 26 Al are discussed. Excitation functions for several additional exit channels for the 26 Mg + rho and 23 Na + α reactions are reported

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

    Science.gov (United States)

    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.

  17. Neutron excitation function guide for reactor dosimetry

    International Nuclear Information System (INIS)

    Gritzay, O.; Vlasov, M.; Chervonna, L.; Klimova, N.; Kolota, G.; Zerkin, V.

    2002-01-01

    Neutron Excitation Function Guide for Reactor Dosimetry (NEFGRD) has been prepared in the Ukrainian Nuclear Data Center (UKRNDC) using ZVV 9.2 code for graphical data presentation. The data can be retrieved through Web or obtained on CD-ROM or as hard copy report. NEFGRD contains graphical and text information for 56 nuclides (81 dosimetry reactions). Each reaction is provided by the information part and several graphical function blocks (from one to nine). (author)

  18. Cryptanalysis of Lin et al.'s Efficient Block-Cipher-Based Hash Function

    NARCIS (Netherlands)

    Liu, Bozhong; Gong, Zheng; Chen, Xiaohong; Qiu, Weidong; Zheng, Dong

    2010-01-01

    Hash functions are widely used in authentication. In this paper, the security of Lin et al.'s efficient block-cipher-based hash function is reviewed. By using Joux's multicollisions and Kelsey et al.'s expandable message techniques, we find the scheme is vulnerable to collision, preimage and second

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

    Science.gov (United States)

    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.

  20. Sequential double excitations from linear-response time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Mosquera, Martín A.; Ratner, Mark A.; Schatz, George C., E-mail: g-schatz@northwestern.edu [Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, Illinois 60208 (United States); Chen, Lin X. [Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, Illinois 60208 (United States); Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Ave., Lemont, Illinois 60439 (United States)

    2016-05-28

    Traditional UV/vis and X-ray spectroscopies focus mainly on the study of excitations starting exclusively from electronic ground states. However there are many experiments where transitions from excited states, both absorption and emission, are probed. In this work we develop a formalism based on linear-response time-dependent density functional theory to investigate spectroscopic properties of excited states. We apply our model to study the excited-state absorption of a diplatinum(II) complex under X-rays, and transient vis/UV absorption of pyrene and azobenzene.

  1. Distribution function of excitations in systems with fractional statistics

    International Nuclear Information System (INIS)

    Protogenov, A.P.

    1992-08-01

    The distribution function of low-energy excitations in 2+1D systems has been considered. It is shown that in these systems the quantum distribution function differs from the usual one by having a finite value of the entropy of linked braids. (author). 47 refs

  2. Complete fusion excitation function for the 16O + natS reaction

    International Nuclear Information System (INIS)

    Wang Sufang; Zheng Jiwen; Liu Guoxing

    1994-01-01

    The complete fusion excitation function for the 16 O + nat S reaction has been measured in the range of 50-75 MeV with a step of 1.0 MeV by using a position sensitive ΔE-E telescope system. The model parameters have been extracted from data analysis. The striking gross structure of the excitation function has been observed. The energies of peaks are at E CM 38,43 and 48 MeV respectively

  3. The EDDA experiment: proton-proton elastic scattering excitation functions at intermediate energies

    International Nuclear Information System (INIS)

    Hinterberher, F.

    1996-01-01

    The EDDA experiment is designed to provide a high precision measurement of proton-proton elastic scattering excitation functions ranging from 0.5 to 2.5 GeV of (lab) incident kinetic energy. It is an internal target experiment utilizing the proton beam of the cooler synchrotron COSY operated by KFA Juelich. The excitation functions are measured during the acceleration ramp of COSY. (author)

  4. Photo- and radio-excited luminescence properties of Eu-doped La2O3–Al2O3 based eutectics

    International Nuclear Information System (INIS)

    Fujimoto, Yutaka; Kamada, Kei; Yanagida, Takayuki; Wakahara, Shingo; Suzuki, Shotaro; Kurosawa, Shunsuke; Yoshikawa, Akira

    2013-01-01

    Eutectic crystal of 0.5% Eu-doped 30LaAlO 3 –70Al 2 O 3 (vol %) was prepared by micro-pulling down (μ-PD) technique under nitrogen atmosphere. Being excited at a wavelength of 320 nm, the crystal exhibited intense emission band with a maximum at 450 nm which is corresponding to 4f 6 5d-4f 7 ( 8 S 7/2 ) transitions of Eu 2+ . The decay time and fluorescence quantum efficiency (QE) were determined to be about 475 ns and 60%, respectively. When alpha-ray excited the crystal, both Eu 2+ 4f 6 5d-4f 7 ( 8 S 7/2 ) and Eu 3+ 4f 6 -4f 6 ( 5 D 0 - 7 F 1,2 ) emission peaks were observed at 435 nm and 600 nm. By the pulse height spectra, the relative scintillation light yield of the crystal was about 4% compared with that of BGO commercial scintillator. -- Highlights: •0.5% Eu-doped 30LaAlO 3 –70Al 2 O 3 eutectic crystal was grown by μ-PD technique. •The crystal showed intense Eu 2+ 5d-4f emission at 450 nm under excited at 320 nm. •The fluorescence quantum efficiency was calculated to be about 60%. •The scintillation light yield was about 4% compared with that of BGO scintillator

  5. Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

    Science.gov (United States)

    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.

  6. Development of the system for excitation function automatic measurement of nuclear reactions

    International Nuclear Information System (INIS)

    Sapozhnikov, A.B.

    2004-01-01

    Full text: The resonance nuclear reaction method is applied at the tandem accelerator UKP-2-1 to determinate films thickness and obtain light element depth distribution. The system for automatic measurement of the nuclear reaction excitation curve has been developed. It allowed to obtain an excitation function of nuclear reaction using continuous changing potential of the target with energy step of 6 eV. Saw-tooth voltage with amplitude up to 6 kV from the block of scanning beam is fed to a target. The amplitude is determined by constant voltage from the scanning beam block control. Nal(Tl) detector detects gamma quanta - the products of a nuclear reaction and transforms they in voltage impulses. The impulses through the amplifier income in the single-channel analyzer which forms impulses to start the analog-to-digital converter. The value of saw-tooth voltage corresponding to the moment of gamma quantum detection is read by the analog-to-digital converter, where it is transformed to digital code and transmitted to the computer. The computer program has been developed to control the process of accumulation of excitation function. The dependence a detected γ-quanta yield from a target potential is automatically plotted by the program. This dependence corresponds to the nuclear reaction excitation function. If scanning amplitude is not enough in order to scan need depth of a sample, an operator increases energy of the proton beam changing high voltage potential of the terminal up 3 keV and measures the nuclear reaction excitation function with the new energy. This procedure can be repeated some times. After that 'sewing' of excitation functions is carried out by the program under the hypothesis that nuclear reaction yield in last points be identical

  7. Electron-impact excitation of Zn II

    International Nuclear Information System (INIS)

    Msezane, A.Z.; Henry, R.J.W.

    1982-01-01

    Collision strengths are calculated for excitation of Zn II from the 4s ground state to excited states 4p, 3d 9 4s 2 , 5s, and 4d in a five-state close-coupling approximation for the electron-impact energy range 15 5 3d 10 4s 2 in a two-state close-coupling approximation for the same energy range. Accurate target functions are used in the expansion. Very good agreement with measurements of absolute emission cross sections of Rogers et al. is obtained for energy region 15< E<100 eV, when cascade contributions are included. Poorer agreement is obtained with experiment for excitation of the 5s state, owing to sensitivities in the close-coupling approximation

  8. Tsunami excitation by inland/coastal earthquakes: the Green function approach

    Directory of Open Access Journals (Sweden)

    T. B. Yanovskaya

    2003-01-01

    Full Text Available In the framework of the linear theory, the representation theorem is derived for an incompressible liquid layer with a boundary of arbitrary shape and in a homogeneous gravity field. In addition, the asymptotic representation for the Green function, in a layer of constant thickness is obtained. The validity of the approach for the calculation of the tsunami wavefield based on the Green function technique is verified comparing the results with those obtained from the modal theory, for a liquid layer of infinite horizontal dimensions. The Green function approach is preferable for the estimation of the excitation spectra, since in the case of an infinite liquid layer it leads to simple analytical expressions. From this analysis it is easy to describe the peculiarities of tsunami excitation by different sources. The method is extended to the excitation of tsunami in a semiinfinite layer with a sloping boundary. Numerical modelling of the tsunami wavefield, excited by point sources at different distances from the coastline, shows that when the source is located at a distance from the coastline equal or larger than the source depth, the shore presence does not affect the excitation of the tsunami. When the source is moved towards thecoastline, the low frequency content in the excitation spectrum ecreases, while the high frequencies content increases dramatically. The maximum of the excitation spectra from inland sources, located at a distance from the shore like the source depth, becomes less than 10% of that radiated if the same source is located in the open ocean. The effect of the finiteness of the source is also studied and the excitation spectrum is obtained by integration over the fault area. Numerical modelling of the excitation spectra for different source models shows that, for a given seismic moment, the spectral level, as well as the maximum value of the spectra, decreases with increasing fault size. When the sources are located in the

  9. Wigner function and tomogram of the excited squeezed vacuum state

    International Nuclear Information System (INIS)

    Meng Xiangguo; Wang Jisuo; Fan Hongyi

    2007-01-01

    The excited squeezed light (ESL) can be the outcome of interaction between squeezed light probe and excited atom, which can explore the status and the structure of the atom. We calculate the Wigner function and tomogram of ESL that may be comparable to the experimental measurement of quadrature-amplitude distribution for the light field obtained using balanced homodyne detection. The method of calculation seems new

  10. Wigner function and tomogram of the excited squeezed vacuum state

    Energy Technology Data Exchange (ETDEWEB)

    Meng Xiangguo [Department of Physics, Liaocheng University, Shandong Province 252059 (China); Wang Jisuo [Department of Physics, Liaocheng University, Shandong Province 252059 (China)]. E-mail: jswang@lcu.edu.cn; Fan Hongyi [Department of Physics, Liaocheng University, Shandong Province 252059 (China); CCAST (World Laboratory), P.O. Box 8730, 100080 Beijing (China)

    2007-01-29

    The excited squeezed light (ESL) can be the outcome of interaction between squeezed light probe and excited atom, which can explore the status and the structure of the atom. We calculate the Wigner function and tomogram of ESL that may be comparable to the experimental measurement of quadrature-amplitude distribution for the light field obtained using balanced homodyne detection. The method of calculation seems new.

  11. Fusion excitation functions involving transitional nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Rehm, K.E.; Jiang, C.L.; Esbensen, H. [and others

    1995-08-01

    Measurements of fusion excitation functions involving transitional nuclei {sup 78}Kr and {sup 100}Mo showed a different behavior at low energies, if compared to measurements with {sup 86}Kr and {sup 92}Mo. This points to a possible influence of nuclear structure on the fusion process. One way to characterize the structure of vibrational nuclei is via their restoring force parameters C{sub 2} which can be calculated from the energy of the lowest 2{sup +} state and the corresponding B(E2) value. A survey of the even-even nuclei between A = 28-150 shows strong variations in C{sub 2} values spanning two orders of magnitude. The lowest values for C{sub 2} are observed for {sup 78}Kr, {sup 104}Ru and {sup 124}Xe followed by {sup 74,76}Ge, {sup 74,76}Se, {sup 100}Mo and {sup 110}Pd. In order to learn more about the influence of {open_quotes}softness{close_quotes} on the sub-barrier fusion enhancement, we measured cross sections for evaporation residue production for the systems {sup 78}Kr + {sup 104}Ru and {sup 78}Kr + {sup 76}Ge with the gas-filled magnet technique. For both systems, fusion excitation functions involving the closed neutron shell nucleus {sup 86}Kr were measured previously. The data are presently being analyzed.

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

    Science.gov (United States)

    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.

  13. Simultaneous Determination of Ibuprofen and Caffeine in Urine Samples by Combining MCR-ALS and Excitation-emission Data

    Directory of Open Access Journals (Sweden)

    Masoumeh Mohammadnejad

    2016-06-01

    Full Text Available Second order advantage of excitation-emission fluorescence matrix was applied for the simultaneous determination of ibuprofen and caffeine. The proposed method is based on the measurement of the native fluorescence and recording emission spectra of ibuprofen and caffeine in different excitation wavelengths. The mixture of these compounds was resolved by multivariate curve resolution coupled with alternative least squares (MCR-ALS on constructed matrix. The EEM spectra were recorded at excitation wavelengths from 250-275 nm; the emission wavelengths ranged from 275-400 nm. For each particular quantitative determination, an augmented matrix was defined. The resolution of each augmented-data matrix gave an estimation of the excitation and emission spectra of the species included in the model. Ibuprofen and caffeine were determined in concentration range from 0.10-8.00 and 0.50-15.00 mg ml-1, respectively. The minimal sample pretreatment and relatively low running cost, make this method a good alternative to existing methods for determination of the analytes in urine samples.

  14. Excitation functions of radionuclides produced by proton induced reactions on gadolinium targets

    International Nuclear Information System (INIS)

    Challana, M.B.; Comsana, M.N.H.; Moawadb, G.S.; Abou-Zeid, M.A.

    2008-01-01

    Cross section study for proton induced reaction on natural Gadolinium targets were performed. Excitation functions for the reactions n atGd(p,x) 152m+g , 154m,154g Tb from threshold up to E p = 18 MeV have been measured employing the stacked foil activation technique, and using high resolution HPGe gamma spectrometry. Utilizing the simultaneous measurement of the excitation function of n atCu(p,x) 62 Zn, n atCu(p,x) 63 Zn, and n atCu(p,x) 65 Zn as monitor reactions. The theoretical analysis of the excitation functions has been done employing both ALICE-91 and EMPIRE-II codes. In general, theoretical calculations agree well with the experimental data. A significant contribution of pre-equilibrium component has been observed at these energies

  15. Excitation functions of the systems 12C+14C and 13C+12C

    International Nuclear Information System (INIS)

    Haindl, E.

    1975-01-01

    The excitation functions of the systems 12 C+ 14 C and 13 C+ 12 C are investigated for different exit channels. The excitation functions measured do not show correlated structures as in the system 12 C+ 12 C. (WL/AK) [de

  16. Operational production of Geodetic Excitation Functions from EOP estimated values at ASI-CGS

    Science.gov (United States)

    Sciarretta, C.; Luceri, V.; Bianco, G.

    2009-04-01

    ASI-CGS is routinely providing geodetic excitation functions from its own estimated EOP values (at present SLR and VLBI; the current use of GPS EOP's is also planned as soon as this product will be fully operational) on the ASI geodetic web site (http://geodaf.mt.asi.it). This product has been generated and monitored (for ASI internal use only) in a long pre-operational phase (more than two years), including validation and testing. The daily geodetic excitation functions are now weekly updated along with the operational ASI SLR and VLBI EOP solutions and compared, whenever possible, with the atmospheric excitation functions available at the IERS SBAAM, under the IB and not-IB assumption, including the "wind" term. The work will present the available estimated geodetic function time series and its comparison with the relevant atmospheric excitation functions, deriving quantitative indicators on the quality of the estimates. The similarities as well as the discrepancies among the atmospheric and geodetic series will be analysed and commented, evaluating in particular the degree of correlation among the two estimated time series and the likelihood of a linear dependence hypothesis.

  17. [Effect of different excitation monitoring wavelengths on emission spectrum of red long afterglow phosphor Sr3Al2O6 : Eu2+, Dy3+].

    Science.gov (United States)

    Cui, Cai-e; Li, Jian; Huang, Ping; Liang, Li-ping; Wu, Yin-lan

    2012-01-01

    The Eu2+ and Dy3+ ion co-doped Sr3Al2O6 phosphor powders with long afterglow were prepared with high temperature solid-state reaction. The phase and the spectra properties of the material were characterized by X-ray diffraction (XRD) and fluorescence spectrophotometer. It was found that the sample is composed of pure Sr3Al2O6 phase. Furthermore, the emission peak of 537 nm under 360 nm excitation and that of 590 nm excited by 468 nm-light were obtained, respectively, and it is more interesting that the emission peaks were at 537 and 590 nm under 394 nm excitation. The effects of different excitation wavelengths on the emission spectrum were explained reasonably by the effect of nephelauxetic effect and crystal field. It revealed that the two types of luminescence with different color were caused by the differences of the center of gravity of the 5d excited state energy level and the split range of 5d energy level.

  18. Electron excitations in BeAl2O4, Be2SiO4 and Be3Al2Si6O18 crystals

    International Nuclear Information System (INIS)

    Ivanov, V.Yu.; Pustovarov, V.A.; Shlygin, E.S.; Korotaev, A.V.; Kruzhalov, A.V.

    2005-01-01

    Low-temperature (T = 7 K) time-resolved selectively photoexcited luminescence spectra (2-6 eV) and luminescence excitation spectra (8-35 eV) of wide-bandgap chrysoberyl BeAl 2 O 4 , phenacite Be 2 SiO 4 , and beryl Be 3 Al 2 Si 6 O 18 crystals have been studied using time-resolved VUV spectroscopy. Both the intrinsic luminescence of the crystals and the luminescence associated with structural defects were assigned. Energy transfer to impurity luminescence centers in alexandrite and emerald was investigated. Luminescence characteristics of stable crystal lattice defects were probed by 3.6-MeV accelerated helium ion beams [ru

  19. Excited state dynamics in In0.5Al0.04Ga0.46As/Al0.08Ga0.92As self-assembled quantum dots

    DEFF Research Database (Denmark)

    Smith, L.M.; Leosson, Kristjan; Østergaard, John Erland

    2001-01-01

    We use time-resolved photoluminescence spectroscopy to probe the relaxation of excited states in In0.5Al0.04Ga0.40As/Al0.08Ga0.92As self-assembled quantum dots. The relaxation rate of excitons confined to the quantum dots increases by nearly an order of magnitude as the energy of the states...... approaches the top of the quantum dot potential. This dramatic change in the dynamics of these states reflects the increasing complexity of the states localized near the top of the quantum dots....

  20. Calculations of Excitation Functions of Some Structural Fusion Materials for ( n, t) Reactions up to 50 MeV Energy

    Science.gov (United States)

    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.

  1. Influence of the excited states on the electron-energy distribution function in low-pressure microwave argon plasmas

    International Nuclear Information System (INIS)

    Yanguas-Gil, A.; Cotrino, J.; Gonzalez-Elipe, A.R.

    2005-01-01

    In this work the influence of the excited states on the electron-energy distribution function has been determined for an argon microwave discharge at low pressure. A collisional-radiative model of argon has been developed taking into account the most recent experimental and theoretical values of argon-electron-impact excitation cross sections. The model has been solved along with the electron Boltzmann equation in order to study the influence of the inelastic collisions from the argon excited states on the electron-energy distribution function. Results show that under certain conditions the excited states can play an important role in determining the shape of the distribution function and the mean kinetic energy of the electrons, deplecting the high-energy tail due to inelastic processes from the excited states, especially from the 4s excited configuration. It has been found that from the populations of the excited states an excitation temperature can be defined. This excitation temperature, which can be experimentally determined by optical emission spectroscopy, is lower than the electron kinetic temperature obtained from the electron-energy distribution function

  2. A simple method for automatic measurement of excitation functions

    International Nuclear Information System (INIS)

    Ogawa, M.; Adachi, M.; Arai, E.

    1975-01-01

    An apparatus has been constructed to perform the sequence control of a beam-analysing magnet for automatic excitation function measurements. This device is also applied to the feedback control of the magnet to lock the beam energy. (Auth.)

  3. Application of an excited state LDA exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Shamim, Md; Harbola, Manoj K, E-mail: sami@iitk.ac.i, E-mail: mkh@iitk.ac.i [Department of Physics, Indian Institute of Technology, Kanpur 208 016 (India)

    2010-11-14

    Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.

  4. Application of an excited state LDA exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory

    International Nuclear Information System (INIS)

    Shamim, Md; Harbola, Manoj K

    2010-01-01

    Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.

  5. Excitation functions for alpha-particle-induced reactions with natural antimony

    Energy Technology Data Exchange (ETDEWEB)

    Singh, N. L.; Shah, D. J.; Mukherjee, S.; Chintalapudi, S. N. [Vadodara, M. S. Univ. of Baroda (India). Fac. of Science. Dept. of Physics

    1997-07-01

    Stacked-foil activation technique and {gamma} - rays spectroscopy were used for the determination of the excitation functions of the {sup 121}Sb [({alpha}, n); ({alpha}, 2n); ({alpha},4 n); ({alpha}, p3n); ({alpha}, {alpha}n)]; and Sb [({alpha}, 3n); ({alpha}, 4n); ({alpha}, {alpha}3n)] reactions. The excitation functions for the production of {sup 124}I, {sup 123}I, {sup 121}I, {sup 121}Te and {sup 120}Sb were reported up to 50 MeV. The reactions {sup 121} Sb ({alpha}, {alpha}n) + {sup 123} Sb ({alpha}, {alpha}3n) are measured for the first time. Since natural antimony used as the target has two odd mass stable isotopes of abundances 57.3 % ({sup 121}Sb), their activation in some cases gives the same product nucleus through different reaction channels but with very different Q-values. In such cases, the individual reaction cross-sections are separated with the help of theoretical cross-sections. The experimental cross-sections were compared with the predictions based on hybrid model of Blann. The high-energy part of the excitation functions are dominated by the pre-equilibrium reaction mechanism and the initial exciton number n{sub 0} = 4 (4 p 0 h) gives fairly good agreement with presently measured results.

  6. Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

    DEFF Research Database (Denmark)

    Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.

    2008-01-01

    Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...

  7. Towards a unified description of light ion fusion cross section excitation functions

    International Nuclear Information System (INIS)

    Zimmer, K.W.

    1995-01-01

    A description of light heavy-ion fusion, taking into account both entrance-channel characteristics and compound-nucleus properties, is derived within a unified theory of nuclear reactions. The dependence of the imaginary fusion potential on the level density of the compound nucleus is revealed. The 12 C + 12 C, 12 C + 14 N, 10 B + 16 O and 16 O + 16 O fusion cross sections are calculated for E cm ≤ 120 MeV and compared with experimental data. The excitation energy dependence of the level-density parameter of 24 Mg, 26 Al and 32 S is inferred below 5 MeV/A. A realistic nuclear level-density model, describing the experimental level-density parameters of highly excited nuclei, is shown to be consistent with both the global features and details of the fusion cross section. 12 C + 12 C and 16 O + 16 O fusion cross section oscillations are predicted at large excitation energies, reflecting the structure of the level density of the highly excited light compound nuclei. Differences of the 12 C + 14 N and 10 B + 16 O fusion reaction mechanisms are discussed in terms of specific entrance-channel characteristics. (orig.)

  8. Towards a unified description of light ion fusion cross section excitation functions

    International Nuclear Information System (INIS)

    Zimmer, K.W.; Rebel, H.

    1994-10-01

    A description of light heavy-ion fusion, taking into account both entrace-channel characteristics and compound-nucleus properties, is derived within a unified theory of nuclear reactions. The dependence of the imaginary fusion potential on the level density of the compound nucleus is revealed. The 12 C+ 12 C, 12 C+ 14 N, 10 B+ 16 O and 16 O+ 16 O fusion cross sections are calculated for E cm ≤120 MeV and compared with experimental data. The excitation energy dependence of the level-density parameter of 24 Mg, 26 Al and 32 S is inferred below 5 MeV/A. A realistic nuclear level-density model, describing the experimental level-density parameters of highly excited nuclei, is shown to be consistent with both the global features and details of the fusion cross section. 12 C+ 12 C and 16 O+ 16 O fusion cross section oscillations are predicted at large excitation energies, reflecting the structure of the level density of the highly excited light compound nuclei. Differences of the 12 C+ 14 N and 10 B+ 16 O fusion reaction mechanisms are discussed in terms of specific entrance-channel characteristics. (orig.)

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

    Science.gov (United States)

    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.

  10. Soft X-ray excited optical luminescence from functional organic materials

    Energy Technology Data Exchange (ETDEWEB)

    Sham, T.K., E-mail: tsham@uwo.ca

    2015-10-01

    Highlights: • Many functional organic materials convert X-ray energy into visible light. • The X-ray induced luminescence (XEOL) across an absorption edge can be site and excitation channel specific. • XEOL is composition, morphology, size and crystallinity dependent. • XEOL using the time structure of a synchrotron can reveal the decay and energy transfer dynamics of the sample. • The combined use of XEOL and XAS in the analysis of functional organic materials is illustrated. - Abstract: This brief report reviews some of the recent findings in the study of synchrotron based X-ray excited optical luminescence (XEOL) from representative organic light emitting device (OLED) and related functional organic materials. The systems of interest include Alq{sub 3}, aluminium tris(8-hydroxylquinoline); Ru(bipy){sub 3}{sup 2+}, tris-(2,2-bipyridine) ruthenium(II); Ir(bpy){sub 3}, tris(2-phenyl-bipyridine)iridium; PVK (poly(N-vinylcarbazole)) and [Au{sub 2}(dppe)(bipy)]{sup 2+}, a Au(I) polymer containing 1,2-bis(diphenylphosphino)ethane and the 4,40-bipyridyl ligands, as well as TBPe (2,5,8,11-tetra-tert-butylperylene) polyhedral crystals and fluorescein isothiocyanate (FITC) and FITC-labelled proteins. It is shown that tunable and pulsed X-rays from synchrotron light sources enable the detailed tracking of the optical properties of organic functional materials by monitoring the luminescence in both the energy and time domain as the excitation energy is scanned across an element-specific absorption edge. The use of XEOL and X-ray absorption spectroscopy (XAS) in materials analysis is illustrated.

  11. El strength function at high spin and excitation energy

    International Nuclear Information System (INIS)

    Barrette, J.

    1983-04-01

    Recently giant dipole resonance-like concentration of the dipole strength function in nuclei was observed at both high excitation energies and high spins. This observation raises the possibility of obtaining new information on the shape of rapidly rotating heated nuclei. Recent experimental results on this subject are reviewed

  12. Comparison of the luminescent properties of Lu3Al5O12:Pr crystals and films under synchrotron radiation excitation

    International Nuclear Information System (INIS)

    Zorenko, Yu.; Gorbenko, V.; Zorenko, T.; Voznyak, T.; Nizankovskiy, S.

    2016-01-01

    The work is dedicated to comparative investigation of the luminescent properties of Lu 3 Al 5 O 12 :Pr(LuAG:Pr) single crystals and single crystalline films using excitation by synchrotron radiation with an energy of 3.7–25 eV in the exciton range of LuAG host. We have found that the differences in the excitation spectra and luminescence decay kinetics of LuAG:Pr crystals and films are caused by involving the LuAl antisite defects and oxygen vacancies in the crystals and Pb 2+ flux related dopants in the films in the excitation processes of the Pr 3+ luminescence. Taking into account these differences, we have determined the energy structure of the Pr 3+ ions in LuAG host and estimated the differences in the energies of creation of excitons bound with the isolated Pr 3+ ions in LuAG:Pr films and the dipole Pr–LuAl antisite defect centers in the crystal counterpart. - Highlights: • Comparison of the luminescent properties of LuAG:Pr single crystals and films. • Superposition of the Pr 3+ and defect centers luminescence of LuAG:Pr crystal. • Different creation energies of an excitons bound with the Pr 3+ in LuAG:Pr crystals and films. • More faster decay kinetics of the Pr 3+ luminescence in LuAG:Pr films. • Low content of slow emission component in LuAG:Pr films.

  13. Communication: Hole localization in Al-doped quartz SiO{sub 2} within ab initio hybrid-functional DFT

    Energy Technology Data Exchange (ETDEWEB)

    Gerosa, Matteo [Department of Energy, Politecnico di Milano, via Ponzio 34/3, 20133 Milano (Italy); Di Valentin, Cristiana; Pacchioni, Gianfranco [Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via R. Cozzi 55, 20125 Milan (Italy); Bottani, Carlo Enrico, E-mail: carlo.bottani@polimi.it [Department of Energy, Politecnico di Milano, via Ponzio 34/3, 20133 Milano (Italy); Center for Nano Science and Technology @Polimi, Istituto Italiano di Tecnologia, via Pascoli 70/3, 20133 Milano (Italy); Onida, Giovanni [Dipartimento di Fisica dell’ Universita’ degli Studi di Milano and European Theoretical Spectroscopy Facility (ETSF), Via Celoria 16, 20133 Milan (Italy)

    2015-09-21

    We investigate the long-standing problem of hole localization at the Al impurity in quartz SiO{sub 2}, using a relatively recent DFT hybrid-functional method in which the exchange fraction is obtained ab initio, based on an analogy with the static many-body COHSEX approximation to the electron self-energy. As the amount of the admixed exact exchange in hybrid functionals has been shown to be determinant for properly capturing the hole localization, this problem constitutes a prototypical benchmark for the accuracy of the method, allowing one to assess to what extent self-interaction effects are avoided. We obtain good results in terms of description of the charge localization and structural distortion around the Al center, improving with respect to the more popular B3LYP hybrid-functional approach. We also discuss the accuracy of computed hyperfine parameters, by comparison with previous calculations based on other self-interaction-free methods, as well as experimental values. We discuss and rationalize the limitations of our approach in computing defect-related excitation energies in low-dielectric-constant insulators.

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

    Science.gov (United States)

    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.

  15. Use of polarization measurements in evaluating cascade contributions to optical excitation functions

    International Nuclear Information System (INIS)

    McConkey, J.W.

    1981-01-01

    Recent developments in theory and experimental measurements of rotational line polarization fractions of diatomic molecules following electron impact are used to show how in some instances cascade free optical excitation functions can be derived without additional measurements of the cascading contribution. The Lyman system of H 2 is presented as an example and some previously conflicting excitation cross-section measurements obtained by different techniques are reconciled

  16. Spin excitation and band-narrowing in Al{sub x}Ga{sub 1-x}As heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Miah, M. Idrish, E-mail: m.miah@griffith.edu.au [Department of Physics, University of Chittagong, Chittagong 4331 (Bangladesh)

    2010-11-01

    We studied the spin excitation in dependences of the applied electric field and lattice temperature (LT) via the measurements of the circularly polarized photoluminescence (CPPL) in Al{sub x}Ga{sub 1-x}As heterostructures (HSs). The intensity of CPPL was found to strongly depend on the electric field applied to the HSs. The CPPL was also found to enhance with decreasing LT. It was demonstrated that the observed LT dependence might be due to the LT-dependent band-gap shift of the HS materials.

  17. Investigation of Multiconfigurational Short-Range Density Functional Theory for Electronic Excitations in Organic Molecules

    DEFF Research Database (Denmark)

    Hubert, Mickaël; Hedegård, Erik D.; Jensen, Hans Jørgen Aa

    2016-01-01

    -srDFT for a selected benchmark set of electronic excitations of organic molecules, covering the most common types of organic chromophores. This investigation confirms the expectation that the MC-srDFT method is accurate for a broad range of excitations and comparable to accurate wave function methods such as CASPT2......Computational methods that can accurately and effectively predict all types of electronic excitations for any molecular system are missing in the toolbox of the computational chemist. Although various Kohn-Sham density-functional methods (KS-DFT) fulfill this aim in some cases, they become...... and double excitations have been promising, it is nevertheless important that the accuracy of MC-srDFT is at least comparable to the best KS-DFT methods also for organic molecules that are typically of single-reference character. In this paper we therefore systematically investigate the performance of MC...

  18. Proton-proton elastic scattering excitation functions at intermediate energies: Cross sections and analyzing powers

    CERN Document Server

    Hinterberger, F; 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; Naehle, 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 (CH sub 2) fiber target, taking particular care to monitor luminosity as a function of beam momentum. In phase 2, excitation functions of the analyzing power A sub N and the polarization correlation parameters A sub N sub N , A sub S sub S and A sub S sub L are measured using a polarized proton beam and a polarized atomic hydrogen beam target. The paper presents recent d sigma/d OMEGA and A sub N 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.

  19. Electron impact ionization-excitation of Helium

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  1. Evaluation of Functional Disability in ALS

    Directory of Open Access Journals (Sweden)

    Akbar Soltan-Zadeh

    2002-06-01

    Full Text Available Objective: Amyotrophic Lateral Sclerosis (ALS is a progressive degenerative fatal disorder of motor neuron. In this research course of functional disability and possible underlying factors affecting disability were studied. Materials & Methods: First 59 patients with definite ALS were selected and for each patient ALSFRS (ALS Functional Rating Scale was determined at Initial and the end of a six month period. Results: During this period 9 patients expired. Bulbar onset localization showed a more rapid course than non-bulbar onset group. Conclusion: There was no significant relationship between the age group or gender with progression of disability. In expired group, mean survival in bulbar onset and older patients were significantly less than those with non-bulbar onset and younger ones. There was no significant relationship between survival and gender.

  2. Double-electron excitation above Xe K-edge

    International Nuclear Information System (INIS)

    Ito, Y.; Tochio, T.; Vlaicu, A.M.; Mutaguchi, K.; OhHashi, H.; Shigeoka, N.; Nakata, Y.; Akahama, Y.; Uruga, T.; Emura, Sh.

    2000-01-01

    When X-rays fall on any substance, whether solid, liquid, or gaseous, a photoabsorption occurs. Photoabsorption in atoms has been generally treated as a single-electron excitation process. However, the existence of the multi-electron excitation process, where the removal of a core electron by photoabsorption causes excitation of additional electrons in the same atoms, has been known in x-ray absorption spectra for a long time. In x-ray absorption spectra, experimental investigations of the shake processes in inner-shell ionization phenomena have been performed by detecting discontinuities. The shake effect which is a consequence of rearrangement of the atomic electrons, occurs in association with inner-shell excitation and ionization phenomena in x-ray absorption. The shake process has been studied extensively in various gases, because it is usually considered that the measurement of the multi-electron excitation is only possible for monatomic gases or vapors. The x-ray absorption spectra in Kr gas were measured by Ito et al. in order to observe precisely x-ray absorption spectra and to investigate the multi-electron excitation cross sections in Kr as a function of photon energy using synchrotron radiation. However, no suitable measured K x-ray absorption spectra was available to elucidate the shake processes. In the present work, the photoabsorption cross sections in Xe have been precisely measured in order to determine the features on the shake processes resulting from multiple electron excitations as a function of photon energy. Double-electron transitions of [1s4d], [1s4p], [1s4s], and [1s3d] are first detected. (author)

  3. Iodine (p,n) and (d,2n) excitation function measurements

    International Nuclear Information System (INIS)

    West, H.I. Jr.; Nuckolls, R.M.; Mustafa, M.G.; Lanier, R.G.

    1991-01-01

    We have measured the nuclear excitation functions for the reactions 127 I (p,n) 127 Xe and 127 I(d,2n) 127 Xe. These results are being used in the interpretation of data obtained from nuclear test diagnostics. 15 refs., 3 figs., 3 tabs

  4. Self-excitation of single nanomechanical pillars

    Science.gov (United States)

    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.

  5. Measurement of fusion excitation functions in the system {sup 78}Kr + {sup 100}Mo

    Energy Technology Data Exchange (ETDEWEB)

    Rehm, K.E.; Jiang, C.L.; Esbensen, H. [and others

    1995-08-01

    Earlier measurements of fusion reactions involving {sup 78}Kr and {sup 100}Mo projectiles and Ni-targets showed surprisingly large fusion yields at low energies which could not be explained by coupled-channels calculations. The main difference to similar measurements involving the neighboring {sup 86}Kr and {sup 92}Mo isotopes was the different slope of the excitation functions at sub-barrier energies. An analysis of a variety of experiments showed a correlation between the nuclear structure and the slope of the excitation functions, with the {open_quotes}soft{close_quotes} transitional nuclei ({sup 78}Kr, {sup 100}Mo) exhibiting shallower slopes than the {open_quotes}stiff{close_quotes} nuclei ({sup 86}Kr, {sup 92}Mo) measured at the same energies with respect to the barrier. In this experiment we studied the fusion excitation function involving two transitional nuclei {sup 78}Kr + {sup 100}Mo. The measurements were performed with {sup 78}Kr beams from the ECR source at energies between 285-370 MeV. Separation of the evaporation nucleus from the elastically scattered particles was achieved by measuring time-of-flight and magnetic rigidity in the gas-filled spectrograph. The data were completely analyzed. A comparison of the cross sections with measurements for the system {sup 86}Kr + {sup 92}Mo populating the same compound nucleus {sup 178}Pt. It shows good agreement at the highest energies, but quite different falloffs of the excitation functions toward lower energies. Coupled-channels calculations, including multi-phonon excitation for the two systems, are being performed.

  6. Crystal-field excitations in PrAl sub 3 and NdAl sub 3 at ambient and elevated pressure

    CERN Document Server

    Straessle, T; Rusz, J; Janssen, S; Juranyi, F; Sadykov, R; Furrer, A

    2003-01-01

    The crystal fields (CFs) of the binary rare-earth compounds PrAl sub 3 and NdAl sub 3 have been examined at ambient pressure by means of inelastic neutron scattering. The CF of the latter compound has also been measured under hydrostatic pressure (p = 0.84 GPa). The observed substantial changes of the CF under pressure are discussed within the framework of first-principles density functional theory calculations.

  7. Orientation of Al3Ti platelets in Al-Al3Ti functionally graded material manufactured by centrifugal method

    International Nuclear Information System (INIS)

    Watanabe, Y.; Fukui, Y.

    1997-01-01

    Al-Al 3 Ti functionally graded materials (FGMs) were manufactured by the centrifugal method with a commercial ingot of Al-5 mass% Ti master alloy. The alloy was melted at a liquid/solid coexisting temperature, at which Al 3 Ti remains as a solid, and then it was cast into a thick-walled ring. It was found that the Al-Al 3 Ti functionally graded material can be successfully fabricated by the centrifugal method. It was also found that the volume fraction of the Al 3 Ti can be increased by repetition of the centrifugal method. Since the shape of Al 3 Ti particles in a commercial alloy ingot is that of a platelet, the Al 3 Ti particles are arranged with their platelet planes nearly perpendicular to the radial direction. The orientation effects become stronger when the G number becomes larger. Although the final centrifugal casting was conducted under a very large centrifugal force for the specimen cast three times, the orientation effects were weaker than those in the specimen cast one time. From these observations, it is concluded that the origin of orientation of Al 3 Ti platelets can be attributed to the angular velocity gradient of the melt along the radial direction produced by the difference in the viscosity. (orig.)

  8. Influence of Exchange-Correlation Functional in the Calculations of Vertical Excitation Energies of Halogenated Copper Phthalocyanines using Time-Dependent Density Functional Theory (TD-DFT)

    International Nuclear Information System (INIS)

    Lee, Sang Uck

    2013-01-01

    The accurate prediction of vertical excitation energies is very important for the development of new materials in the dye and pigment industry. A time-dependent density functional theory (TD-DFT) approach coupled with 22 different exchange-correlation functionals was used for the prediction of vertical excitation energies in the halogenated copper phthalocyanine molecules in order to find the most appropriate functional and to determine the accuracy of the prediction of the absorption wavelength and observed spectral shifts. Among the tested functional, B3LYP functional provides much more accurate vertical excitation energies and UV-vis spectra. Our results clearly provide a benchmark calibration of the TD-DFT method for phthalocyanine based dyes and pigments used in industry

  9. Nerve excitability changes related to axonal degeneration in amyotrophic lateral sclerosis: Insights from the transgenic SOD1(G127X) mouse model

    DEFF Research Database (Denmark)

    Moldovan, Mihai; Alvarez Herrero, Susana; Pinchenko, Volodymyr

    2012-01-01

    Motor nerve excitability studies by "threshold tracking" in amyotrophic lateral sclerosis (ALS) revealed heterogeneous abnormalities in motor axon membrane function possibly depending on disease stage. It remains unclear to which extent the excitability deviations reflect a pathogenic mechanism...

  10. Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Shunsuke A. [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Taniguchi, Yasutaka [Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan); Department of Medical and General Sciences, Nihon Institute of Medical Science, 1276 Shimogawara, Moroyama-Machi, Iruma-Gun, Saitama 350-0435 (Japan); Shinohara, Yasushi [Max Planck Institute of Microstructure Physics, 06120 Halle (Germany); Yabana, Kazuhiro [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan)

    2015-12-14

    We develop methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta-generalized gradient approximation was proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional was proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt the predictor-corrector step for a stable time evolution. We have developed a method to evaluate electronic excitation energy without referring to the energy functional which is unknown for the TB-mBJ potential. For the HSE functional, we have developed a method for the operation of the Fock-like term in Fourier space to facilitate efficient use of massive parallel computers equipped with graphic processing units. We compare electronic excitations in silicon and germanium induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: they are close to each other using TB-mBJ and HSE and are much smaller in LDA. At high laser intensities close to the damage threshold, electronic excitation energies do not differ much among the three cases.

  11. Wigner function for the generalized excited pair coherent state

    International Nuclear Information System (INIS)

    Meng Xiangguo; Wang Jisuo; Liang Baolong; Li Hongqi

    2008-01-01

    This paper introduces the generalized excited pair coherent state (GEPCS). Using the entangled state |η> representation of Wigner operator, it obtains the Wigner function for the GEPCS. In the ρ-γ phase space, the variations of the Wigner function distributions with the parameters q, α, k and l are discussed. The tomogram of the GEPCS is calculated with the help of the Radon transform between the Wigner operator and the projection operator of the entangled state |η 1 , η 2 , τ 1 , τ 2 >. The entangled states |η> and η 1 , η 2 , τ 1 , τ 2 > provide two good representative space for studying the Wigner functions and tomograms of various two-mode correlated quantum states

  12. Excitation spectra and wave functions of quasiparticle bound states in bilayer Rashba superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Higashi, Yoichi, E-mail: higashiyoichi@ms.osakafu-u.ac.jp [Department of Mathematical Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai 599-8531 (Japan); Nagai, Yuki [CCSE, Japan Atomic Energy Agency, 178-4-4, Wakashiba, Kashiwa, Chiba 277-0871 (Japan); Yoshida, Tomohiro [Graduate School of Science and Technology, Niigata University, Niigata 950-2181 (Japan); Kato, Masaru [Department of Mathematical Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai 599-8531 (Japan); Yanase, Youichi [Department of Physics, Niigata University, Niigata 950-2181 (Japan)

    2015-11-15

    Highlights: • We focus on the pair-density wave state in bilayer Rashba superconductors. • The zero energy Bogoliubov wave functions are localized at the edge and vortex core. • We investigate the excitation spectra of edge and vortex bound states. - Abstract: We study the excitation spectra and the wave functions of quasiparticle bound states at a vortex and an edge in bilayer Rashba superconductors under a magnetic field. In particular, we focus on the quasiparticle states at the zero energy in the pair-density wave state in a topologically non-trivial phase. We numerically demonstrate that the quasiparticle wave functions with zero energy are localized at both the edge and the vortex core if the magnetic field exceeds the critical value.

  13. Response function of spin-isospin nuclear excitations

    International Nuclear Information System (INIS)

    Salvetti, A.R.

    1986-01-01

    The selected aspects of spin-isospir nuclear excitations are studied. The spreading width of M/ states in even Ca isotopes for the purpose of trying to understand the missing strenght specially in 44 Ca, was estimated. The doorway calculation, was used, considering the level of complexity next to the independent particle M/ state. Using a nuclear matter context, the system response function to a spin-isospin probe and verify how the response function behaves for free fermions and in the ring approximation was studied. Higher correlations to polarization propagation such as the induced interaction and self-energy corrections was introduced. The dopping of colletive effects by such collisions terms was verified. It was investigate how to estimate the short range term of the effective interaction in the spin-isospin channel and the possibility of detecting a difference between these short range terms in the longitudinal and the transverse channel, for understanding the absence of pior condensation precursor states and negative results in a recent attempt to detect differences between longitudinal and transverse response functions one naively expects theoretically. (author) [pt

  14. Candida albicans Agglutinin-Like Sequence (Als) Family Vignettes: A Review of Als Protein Structure and Function

    Science.gov (United States)

    Hoyer, Lois L.; Cota, Ernesto

    2016-01-01

    Approximately two decades have passed since the description of the first gene in the Candida albicans ALS (agglutinin-like sequence) family. Since that time, much has been learned about the composition of the family and the function of its encoded cell-surface glycoproteins. Solution of the structure of the Als adhesive domain provides the opportunity to evaluate the molecular basis for protein function. This review article is formatted as a series of fundamental questions and explores the diversity of the Als proteins, as well as their role in ligand binding, aggregative effects, and attachment to abiotic surfaces. Interaction of Als proteins with each other, their functional equivalence, and the effects of protein abundance on phenotypic conclusions are also examined. Structural features of Als proteins that may facilitate invasive function are considered. Conclusions that are firmly supported by the literature are presented while highlighting areas that require additional investigation to reveal basic features of the Als proteins, their relatedness to each other, and their roles in C. albicans biology. PMID:27014205

  15. Fission-evaporation competition in excited uranium and fermium nuclei

    International Nuclear Information System (INIS)

    Sagajdak, R.N.; Chepigin, V.I.; Kabachenko, A.P.

    1997-01-01

    The production cross sections and excitation functions for the 223-226 U neutron deficient isotopes have been measured in the 20 Ne+ 208 Pb and 22 Ne+ 208 Pb reactions for (4,5)n and (4-7)n evaporation channels of the de-excitation of the compound nuclei 228 U* and 230 U*, respectively. The present study considers in addition the de-excitation via the (5,6)n evaporation channels of the 224 U* compound nucleus formed in the 27 Al+ 197 Au reaction. The production cross sections of 247g,246 Fm formed after evaporation of (5,6)n and (7,8)n from the 252 Fm* and 254 Fm* compound nuclei produced in the 20 Ne+ 232 Th and 22 Ne+ 232 Th reactions were also measured respectively. The evaporation residues emerging from the target were separated in-flight from the projectiles and background reaction products by the electrostatic recoil separator VASSILISSA [1]. The investigation regards the U and Fm compound nuclei in the 40-80 MeV excitation energy range. For the analysis of the (Hl, xn) evaporation cross sections the advanced statistical model [2] calculations were used. The angular momentum dependence of the shell correction to the fission barrier, and the effects of the nuclear viscosity and dynamical deformation for these fissile excited nuclei are considered. The n /Γ t > values at the initial steps of the de-excitation cascade for the U and Fm compound nuclei were derived from the measured excitation functions and discussed from the point of view of the consequences for the fission process dynamics

  16. Changes in the Excitability of Neocortical Neurons in a Mouse Model of Amyotrophic Lateral Sclerosis Are Not Specific to Corticospinal Neurons and Are Modulated by Advancing Disease.

    Science.gov (United States)

    Kim, Juhyun; Hughes, Ethan G; Shetty, Ashwin S; Arlotta, Paola; Goff, Loyal A; Bergles, Dwight E; Brown, Solange P

    2017-09-13

    Cell type-specific changes in neuronal excitability have been proposed to contribute to the selective degeneration of corticospinal neurons in amyotrophic lateral sclerosis (ALS) and to neocortical hyperexcitability, a prominent feature of both inherited and sporadic variants of the disease, but the mechanisms underlying selective loss of specific cell types in ALS are not known. We analyzed the physiological properties of distinct classes of cortical neurons in the motor cortex of hSOD1 G93A mice of both sexes and found that they all exhibit increases in intrinsic excitability that depend on disease stage. Targeted recordings and in vivo calcium imaging further revealed that neurons adapt their functional properties to normalize cortical excitability as the disease progresses. Although different neuron classes all exhibited increases in intrinsic excitability, transcriptional profiling indicated that the molecular mechanisms underlying these changes are cell type specific. The increases in excitability in both excitatory and inhibitory cortical neurons show that selective dysfunction of neuronal cell types cannot account for the specific vulnerability of corticospinal motor neurons in ALS. Furthermore, the stage-dependent alterations in neuronal function highlight the ability of cortical circuits to adapt as disease progresses. These findings show that both disease stage and cell type must be considered when developing therapeutic strategies for treating ALS. SIGNIFICANCE STATEMENT It is not known why certain classes of neurons preferentially die in different neurodegenerative diseases. It has been proposed that the enhanced excitability of affected neurons is a major contributor to their selective loss. We show using a mouse model of amyotrophic lateral sclerosis (ALS), a disease in which corticospinal neurons exhibit selective vulnerability, that changes in excitability are not restricted to this neuronal class and that excitability does not increase

  17. A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

    Science.gov (United States)

    Li, Chenyang; Verma, Prakash; Hannon, Kevin P.; Evangelista, Francesco A.

    2017-08-01

    We propose an economical state-specific approach to evaluate electronic excitation energies based on the driven similarity renormalization group truncated to second order (DSRG-PT2). Starting from a closed-shell Hartree-Fock wave function, a model space is constructed that includes all single or single and double excitations within a given set of active orbitals. The resulting VCIS-DSRG-PT2 and VCISD-DSRG-PT2 methods are introduced and benchmarked on a set of 28 organic molecules [M. Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. Taking CC3 results as reference values, mean absolute deviations of 0.32 and 0.22 eV are observed for VCIS-DSRG-PT2 and VCISD-DSRG-PT2 excitation energies, respectively. Overall, VCIS-DSRG-PT2 yields results with accuracy comparable to those from time-dependent density functional theory using the B3LYP functional, while VCISD-DSRG-PT2 gives excitation energies comparable to those from equation-of-motion coupled cluster with singles and doubles.

  18. Measurement and analysis of excitation functions in (α,np) reactions on 128,130Te

    International Nuclear Information System (INIS)

    Singh, B.P.; Sankaracharyulu, M.G.V.; Ansari, M.A.; Prasad, R.; Bhardwaj, H.D.

    1992-02-01

    Excitation functions for the reactions 128 Te(α,np) 130 I, 130 Te(α,np) 132 I and 130 Te(α,np) 132m I have been measured using stacked foil technique and have also been calculated using statistical model with and without the inclusion of pre-equilibrium emission. As expected, inclusion of pre-equilibrium emission in compound nucleus calculations agree well with the experimental excitation functions. The pre-equilibrium fraction has been found to be energy and target mass number dependent. (author). 37 refs, 7 figs, 3 tabs

  19. A study of excitation functions for the radio-active isotopes produced by α-induced reactions in gold

    International Nuclear Information System (INIS)

    Singh, B.P.; Prasad, R.; Bhardwaj, H.D.

    1992-04-01

    Excitation functions for the reactions 197 Au(α,xn) 201-x Tl(x=1-4) have been measured in the energy range approx. 30-60 MeV using stacked foil technique. Ge(Li) gamma ray spectroscopy has been used for the analysis of irradiated samples. Excitation functions have also been calculated theoretically using two different computer codes (ACT and ALICE) with and without the inclusion of pre-equilibrium emission. As expected inclusion of pre-equilibrium emission to the compound nucleon calculations agree well with the experimentally measured excitation functions. An interesting trend in pre-equilibrium fraction with energy has been observed. (author). 33 refs, 6 figs

  20. Study of the excited states of 28Si using the 27Al(p,γ)28Si radiative capture

    International Nuclear Information System (INIS)

    Dalmas, Jean.

    1974-01-01

    The gamma decay of 28 Si levels excited in the 27 Al(p,γ) 28 Si reaction has been investigated in the energy range Esub(p) 3 classification. A part from the K=0 + rotational band based on the ground state, the SU 3 previsions are not substantiated, but can not definitely rejected, and a few experiment are suggested. On the other band, many results are consistent with the shell model calculations [fr

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

    Science.gov (United States)

    Saichev, A. I.; Sornette, D.

    2011-09-01

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

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

    Science.gov (United States)

    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.

  3. Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals.

    Science.gov (United States)

    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.

  4. Impairments in Motor Neurons, Interneurons and Astrocytes Contribute to Hyperexcitability in ALS: Underlying Mechanisms and Paths to Therapy.

    Science.gov (United States)

    Do-Ha, Dzung; Buskila, Yossi; Ooi, Lezanne

    2018-02-01

    Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disease characterised by the loss of motor neurons leading to progressive paralysis and death. Using transcranial magnetic stimulation (TMS) and nerve excitability tests, several clinical studies have identified that cortical and peripheral hyperexcitability are among the earliest pathologies observed in ALS patients. The changes in the electrophysiological properties of motor neurons have been identified in both sporadic and familial ALS patients, despite the diverse etiology of the disease. The mechanisms behind the change in neuronal signalling are not well understood, though current findings implicate intrinsic changes in motor neurons and dysfunction of cells critical in regulating motor neuronal excitability, such as astrocytes and interneurons. Alterations in ion channel expression and/or function in motor neurons has been associated with changes in cortical and peripheral nerve excitability. In addition to these intrinsic changes in motor neurons, inhibitory signalling through GABAergic interneurons is also impaired in ALS, likely contributing to increased neuronal excitability. Astrocytes have also recently been implicated in increasing neuronal excitability in ALS by failing to adequately regulate glutamate levels and extracellular K + concentration at the synaptic cleft. As hyperexcitability is a common and early feature of ALS, it offers a therapeutic and diagnostic target. Thus, understanding the underlying pathways and mechanisms leading to hyperexcitability in ALS offers crucial insight for future development of ALS treatments.

  5. Excited-State N2 Dissociation Pathway on Fe-Functionalized Au.

    Science.gov (United States)

    Martirez, John Mark P; Carter, Emily A

    2017-03-29

    Localized surface plasmon resonances (LSPRs) offer the possibility of light-activated chemical catalysis on surfaces of strongly plasmonic metal nanoparticles. This technology relies on lower-barrier bond formation and/or dissociation routes made available through energy transfer following the eventual decay of LSPRs. The coupling between these decay processes and a chemical trajectory (nuclear motion, charge-transfer, intersystem crossing, etc.) dictates the availability of these alternative (possibly lower barrier) excited-state channels. The Haber-Bosch method of NH 3 synthesis from N 2 and H 2 is notoriously energy intensive. This is due to the difficulty of N 2 dissociation despite the overall reaction being thermodynamically favorable at ambient temperatures and pressures. LSPRs may provide means to improve the kinetics of N 2 dissociation via induced resonance electronic excitation. In this work, we calculate, via embedded n-electron valence second-order perturbation theory within the density functional embedding theory, the excited-state potential energy surfaces for dissociation of N 2 on an Fe-doped Au(111) surface. This metal alloy may take advantage simultaneously of the strong LSPR of Au and the catalytic activity of Fe toward N 2 dissociation. We find the ground-state dissociation activation energy to be 4.74 eV/N 2 , with Fe as the active site on the surface. Consecutive resonance energy transfers (RETs) may be accessed due to the availability of many electronically excited states with intermediate energies arising from the metal surface that may couple to states induced by the Fe-dopant and the adsorbate molecule, and crossing between excited states may effectively lower the dissociation barrier to 1.33 eV. Our work illustrates that large energetic barriers, prohibitive toward chemical reaction, may be overcome through multiple RETs facilitating an otherwise difficult chemical process.

  6. Study of the 27Al(n,2,)26Al reaction via accelerator mass spectrometry

    International Nuclear Information System (INIS)

    Wallner, A.

    2000-06-01

    The excitation function for the 27 Al(n,2n) 26 Al reaction is expected to show a strongly non-linear behavior in the neutron-energy region around 14 MeV, the neutron energy in D-T plasmas; thus the production rate of 26 Al (t 1/2 =7.2*10 5 a) in D-T fusion environments can in principle be used to measure the temperature of such plasmas. Existing measurements, however, are strongly discordant. Therefore, a new accurate measurement of the 27 Al(n,2n) 26 Al cross sections in the near threshold region (E n =13.5-14.8 MeV) was performed with the goal to achieve relative cross sections with the highest accuracy possible. In addition, the measurements were also designed to provide good absolute cross-section values, as absolute cross sections are important for radioactive waste predictions. Samples of Al metal were irradiated with neutrons in the energy range near threshold (E th =13.55 MeV) at the Radiuminstitutes of both Vienna and St. Petersburg, and in Tokai-mura, Japan. In Tuebingen irradiations with neutrons of higher energies (17 and 19 MeV) were performed. The amount of 26 Al produced during the irradiations was measured via accelerator mass spectrometry (AMS) at the Vienna Environmental Research Accelerator (VERA). This work represents the first 26 Al measurements for this new facility. With this system, a background as low as 3*10 -15 for 26 Al/ 27 Al isotope ratios was obtained, corresponding to a (n,2n) cross section of 0.04 mb. Utilizing AMS, cross sections with much higher precision and considerably closer to the threshold than in previous investigations could be measured. The prerequisite for its application as a temperature monitor, namely a very well known shape of the excitation function was met. A quantitative prediction of the sensitivity of this method for monitoring the temperature in a D-T fusion plasma was therefore possible. For thermal plasmas temperature changes in the order of 5 to 15 % should be detectable. An even higher sensitivity was found

  7. Assessment of time-dependent density functional theory with the restricted excitation space approximation for excited state calculations of large systems

    Science.gov (United States)

    Hanson-Heine, Magnus W. D.; George, Michael W.; Besley, Nicholas A.

    2018-06-01

    The restricted excitation subspace approximation is explored as a basis to reduce the memory storage required in linear response time-dependent density functional theory (TDDFT) calculations within the Tamm-Dancoff approximation. It is shown that excluding the core orbitals and up to 70% of the virtual orbitals in the construction of the excitation subspace does not result in significant changes in computed UV/vis spectra for large molecules. The reduced size of the excitation subspace greatly reduces the size of the subspace vectors that need to be stored when using the Davidson procedure to determine the eigenvalues of the TDDFT equations. Furthermore, additional screening of the two-electron integrals in combination with a reduction in the size of the numerical integration grid used in the TDDFT calculation leads to significant computational savings. The use of these approximations represents a simple approach to extend TDDFT to the study of large systems and make the calculations increasingly tractable using modest computing resources.

  8. Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search

    Science.gov (United States)

    Liang, Wenkel; Isborn, Christine M.; Li, Xiaosong

    2009-11-01

    The calculation of doubly excited states is one of the major problems plaguing the modern day excited state workhorse methodology of linear response time dependent Hartree-Fock (TDHF) and density function theory (TDDFT). We have previously shown that the use of a resonantly tuned field within real-time TDHF and TDDFT is able to simultaneously excite both the α and β electrons to achieve the two-electron excited states of minimal basis H2 and HeH+ [C. M. Isborn and X. Li, J. Chem. Phys. 129, 204107 (2008)]. We now extend this method to many electron systems with the use of our Car-Parrinello density matrix search (CP-DMS) with a first-principles fictitious mass method for wave function optimization [X. Li, C. L. Moss, W. Liang, and Y. Feng, J. Chem. Phys. 130, 234115 (2009)]. Real-time TDHF/TDDFT is used during the application of the laser field perturbation, driving the electron density toward the doubly excited state. The CP-DMS method then converges the density to the nearest stationary state. We present these stationary state doubly excited state energies and properties at the HF and DFT levels for H2, HeH+, lithium hydride, ethylene, and butadiene.

  9. Performance of Popular XC-Functionals for the Description of Excitation Energies in GFP-Like Chromophore Models

    DEFF Research Database (Denmark)

    List, Nanna Holmgaard; Olsen, Jógvan Magnus Haugaard; Rocha-Rinza, Tomás

    2012-01-01

    this task. We present an evaluation of the performance of commonly used XC-functionals for the prediction of excitation energies of GFP-like chromophores. In particular, we have considered the TD-DFT vertical excitation energies of chromophores displaying different charge states. We compare the quality...

  10. The 90deg excitation function for elastic 12C+12C scattering. The importance of Airy elephants

    International Nuclear Information System (INIS)

    McVoy, K.W.; Brandan, M.E.

    1992-01-01

    The 90deg excitation function for elastic 12 C+ 12 C scattering, at laboratory energies between the Coulomb barrier and 130 MeV, exhibits a complex structure of peaks and valleys whose nature has remained an unsolved mystery for more than 20 years. The problem has primarily been caused by the difficulty of choosing from a plethora of discretely ambiguous optical potentials. However, data accumulated above 150 MeV over the last decade have determined unique potentials at these higher energies, and the requirement of continuity downward in energy has recently permitted the determination of a unique set of potentials for angular distributions at energies below 130 MeV, where the excitation-function data exist. These new potentials are used to provide a mean-field (i.e., nonresonant) interpretation of the structure in the 12 C+ 12 C 90deg excitation function between 70 and 130 MeV. Its most prominent minima are found to be Airy minima from nuclear rainbows, with the remaining structure arising primarily from more elementary optical phenomena related to Fraunhofer diffraction. These same potentials are also successful in explaining the details of excitation functions measured very recently at other angles by Morsad. (orig.)

  11. Consistent evaluations of (n,2n) and (n,np) reaction excitation functions for some even-even isotopes using empirical systematics

    Energy Technology Data Exchange (ETDEWEB)

    Manokhin, Vassily N. [Russian Nuclear Data Center, Institute of Physics and Power Engineering, Obninsk (Russian Federation); Odano, Naoteru; Hasegawa, Akira [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2001-03-01

    An approach for consistent evaluation of (n,2n) and (n,np) reaction excitation functions for some even-even isotopes with the (n,np) reaction thresholds lower than (n,2n) reaction ones is described. For determination of cross sections in the maximum of the (n,2n) and (n,np) reaction excitation functions some empirical systematics developed by Manokhin were used together with trends in dependence of gaps between the (n,2n) and (n,np) thresholds on atomic mass number A. The shapes of the (n,2n) and (n,np) reaction excitation functions were calculated using the normalized functions from the Manokhin's systematics. Excitation functions of (n,2n) and (n,np) reactions were evaluated for several nuclei by using the systematics and it was found that the approach used for the present study gives reasonable results. (author)

  12. Output pressure and harmonic characteristics of a CMUT as function of bias and excitation voltage

    DEFF Research Database (Denmark)

    Lei, Anders; Diederichsen, Søren Elmin; Hansen, Sebastian Molbech

    2015-01-01

    of the transmitted signal. The generation of intrinsic harmonics by the CMUT can be minimized by decreasing the excitation signal. This, however, leads to lower fundamental pressure which limits the desired generation of harmonics in the medium. This work examines the output pressure and harmonic characteristics...... of a CMUT as function of bias and excitation voltage. The harmonic to fundamental ratio of the surface pressures declines for decreasing excitation voltage and increasing bias voltage. The ratio, however, becomes unchanged for bias levels close to the pull-in voltage. The harmonic limitations of the CMUT...

  13. Comparison of ALS functionality and plant growth in ALS-inhibitor susceptible and resistant Myosoton aquaticum L.

    Science.gov (United States)

    Liu, Weitang; Bai, Shuang; Jia, Sisi; Guo, Wenlei; Zhang, Lele; Li, Wei; Wang, Jinxin

    2017-10-01

    Herbicide target-site resistance mutations may cause pleiotropic effects on plant ecology and physiology. The effect of several known (Pro197Ser, Pro197Leu Pro197Ala, and Pro197Glu) target-site resistance mutations of the ALS gene on both ALS functionality and plant vegetative growth of weed Myosoton aquaticum L. (water chickweed) have been investigated here. The enzyme kinetics of ALS from four purified water chickweed populations that each homozygous for the specific target-site resistance-endowing mutations were characterized and the effect of these mutations on plant growth was assessed via relative growth rate (RGR) analysis. Plants homozygous for Pro197Ser and Pro197Leu exhibited higher extractable ALS activity than susceptible (S) plants, while all ALS mutations with no negative change in ALS kinetics. The Pro197Leu mutation increased ALS sensitivity to isoleucine and valine, and Pro197Glu mutation slightly increased ALS sensitivity to isoleucine. RGR results indicated that none of these ALS resistance mutations impose negative pleiotropic effects on relative growth rate. However, resistant (R) seeds had a lowed germination rate than S seeds. This study provides baseline information on ALS functionality and plant growth characteristics associated with ALS inhibitor resistance-endowing mutations in water chickweed. Copyright © 2017. Published by Elsevier Inc.

  14. Quantification of plasmon excitations in core-level photoemission

    International Nuclear Information System (INIS)

    Yubero, F.; Tougaard, S.

    2005-01-01

    Calculation of photoelectron spectra (PES) based on our previous dielectric response model [A. C. Simonsen et al. Phys. Rev. B 56, 1612 (1997)] for electronic excitations in PES are compared with recently reported experimental data. It is found that the dielectric description of electron energy losses in photoemission reproduces quantitatively the angular dependence of the surface and bulk electron losses observed experimentally for the Al2s photoemission spectra of Al(111), excited with MgKα radiation. The model also allows to calculate the separate intrinsic and extrinsic effects in photoemission. Thus, the extrinsic losses account for more than 95% of the total surface excitations. Regarding the bulk excitations, both extrinsic and intrinsic contributions vary significantly with emission angle. The intrinsic contribution represents ∼35% of the intensity at the bulk plasmon position at normal emission while only 18% at 80 deg. glancing emission. The calculations presented here can easily be used to interpret PES spectra of other materials in terms of intrinsic and extrinsic effects, if their dielectric properties are known

  15. Analysis of Real Ship Rolling Dynamics under Wave Excitement Force Composed of Sums of Cosine Functions

    International Nuclear Information System (INIS)

    Zhang, Y. S.; Cai, F.; Xu, W. M.

    2011-01-01

    The ship motion equation with a cosine wave excitement force describes the slip moments in regular waves. A new kind of wave excitement force model, with the form as sums of cosine functions was proposed to describe ship rolling in irregular waves. Ship rolling time series were obtained by solving the ship motion equation with the fourth-order-Runger-Kutta method. These rolling time series were synthetically analyzed with methods of phase-space track, power spectrum, primary component analysis, and the largest Lyapunove exponent. Simulation results show that ship rolling presents some chaotic characteristic when the wave excitement force was applied by sums of cosine functions. The result well explains the course of ship rolling's chaotic mechanism and is useful for ship hydrodynamic study.

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

    Science.gov (United States)

    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.

  17. Remeasurement and compilation of excitation function of proton induced reactions on iron for activation techniques

    International Nuclear Information System (INIS)

    Takacs, S.; Vasvary, L.; Tarkanyi, F.

    1994-01-01

    Excitation functions of proton induced reactions on nat Fe(p, xn) 56 Co have been remeasured in the energy region up to 18 MeV using stacked foil technique and standard high resolution gamma-ray spectrometry at the Debrecen MGC-20E cyclotron. Compilation of the available data measured between 1959 and 1993 has been made. The corresponding excitation functions have been reviewed, critical comparison of all the available data was done to obtain the most accurate data set. The feasibility of the evaluated data set was checked by reproducing experimental calibration curves for TLA by calculation. (orig.)

  18. Systematics of excitation functions for (n, charged particle) reactions

    International Nuclear Information System (INIS)

    Zhao Zhixiang; Zhou Delin

    1986-06-01

    On the bases of evaporation model considering the preequilibrium emission under some approximations, the analytical expressions including two adjustable parameters have been derived for excitation functions of (n, charged particle) reactions. Fitting these expressions to the available measured data, these parameters have been extracted and the systematic behaviour of the parameters have been studied. More accurate predictions than before could be obtained by using these expressions and systematic parameters. In the present work the neutron energy is considered up to about 20 MeV and the target mass region is 23< A<197

  19. Luminescence of highly excited nonpolar a-plane GaN and AlGaN/GaN multiple quantum wells

    International Nuclear Information System (INIS)

    Jursenas, S.; Kuokstis, E.; Miasojedovas, S.; Kurilcik, G.; Zukauskas, A.; Chen, C.Q.; Yang, J.W.; Adivarahan, V.; Asif Khan, M.

    2004-01-01

    Carrier recombination dynamics in polar and nonpolar GaN epilayers and GaN/AlGaN multiple quantum wells grown over sapphire substrates with a various crystallographic orientation were studied under high photoexcitation by 20 ps laser pulses. The transient luminescence featured a significant enhancement on nonradiative recombination of free carriers for nonpolar a-plane GaN epilayers compared to conventional c-plane samples. The epitaxial layer overgrowth technique was demonstrated to significantly improve the quality of nonpolar a-plane films. This was proved by more than 40-fold increase in luminescence decay time (430 ps compared to ≤ 10 ps in the ordinary a-plane epilayer). Under high-excitation regime, a complete screening of built-in electric field by free carriers in multiple quantum wells grown on c-plane and r-plane sapphire substrates was achieved. Under such high excitation, luminescence efficiency and carrier lifetime of multiple quantum wells were shown to be determined by the substrate quality. (author)

  20. Evaluation of cross-section data from threshold to 40-60 MeV for specific neutron reactions important for neutron dosimetry applications. Part 1: Evaluation of the excitation functions for the 27Al(n,α)24Na, 55Mn(n,2n)54Mn, 59Co(n,p)59Fe, 59Co(n,2n)58m+gCo and 90Zr(n,2n)89m+gZr reactions

    International Nuclear Information System (INIS)

    Zolotarev, K.I.

    2009-04-01

    Evaluations of cross sections and their associated covariance matrices have been carried out for five dosimetry reactions: - excitation functions were re-evaluated for the 27 Al(n,α) 24 Na, 55 Mn(n,2n) 54 Mn and 90 Zr(n,2n) 89m+g Zr reactions over the neutron energy range from threshold to 40 MeV; - excitation functions were re-evaluated for the 59 Co(n,p) 59 Fe and 59 Co(n,2n) 58m+g Co reactions over the neutron energy range from threshold to 60 MeV. Uncertainties in the cross sections for all of those reactions were also derived in the form of relative covariance matrices. Benchmark calculations performed for 235 U thermal fission and 252 Cf spontaneous fission neutron spectra show that the integral cross sections calculated from the newly evaluated excitation functions exhibit improved agreement with related experimental data when compared with the equivalent data from the IRDF-2002 library. (author)

  1. Excitation functions for some evaporation residues identified in the interaction of 20Ne and 93Nb at moderate excitation energies

    International Nuclear Information System (INIS)

    Agarwal, Avinash; Rizvi, I.A.; Gupta, Meenal; Ahamad, Tauseef; Ghugre, S.S.; Sinha, A.K.; Chaubey, A.K.

    2008-01-01

    With the motivation of studying the complete and incomplete fusion reactions, excitation functions for the reactions 93 Nb(Ne, p2n) 110 Sn, 93 Nb(Ne, 2pn) 110 In, 93 Nb(Ne, 2p2n) 109 In, 93 Nb(Ne, αn) 108 In, 93 Nb(Neα2n) 107 In and 93 Nb(Ne, α p n) 107 Cd have been measured at the incident energy ranging from 91.4 MeV - 145 MeV. The well established activation technique followed by off line high purity gamma- ray spectroscopy was employed. The measured excitation functions were compared with the statistical model calculations by using the codes ALICE-91 and Pace-4. The effect of variation of different parameters including level density parameter involved in these codes has also been studied. Excellent agreement was found between theoretical and experimental values in some of the fusion evaporation reaction channels. However, significant enhancement of cross-section observed in α-emission channels may be due to incomplete fusion process. (author)

  2. Portable vibration exciter

    Science.gov (United States)

    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.

  3. Excitation functions for deuterium-induced reactions on 194Pt near the coulomb barrier

    Czech Academy of Sciences Publication Activity Database

    Kulko, A. A.; Skobelev, N. K.; Kroha, Václav; Penionzhkevich, Y. E.; Mrázek, Jaromír; Burjan, Václav; Hons, Zdeněk; Šimečková, Eva; Piskoř, Štěpán; Kugler, Andrej; Demekhina, N. A.; Sobolev, Yu. G.; Chuvilskaya, T. V.; Shirokova, K.; Kuterbekov, K.

    2012-01-01

    Roč. 9, 6-7 (2012), s. 502-507 ISSN 1547-4771 R&D Projects: GA MŠk LA08002 Institutional support: RVO:61389005 Keywords : nucelar reactions * excitation functions * charged particle activation Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders

  4. Measurement and analysis of excitation functions and observation of mass-asymmetry effect on incomplete fusion dynamics

    Directory of Open Access Journals (Sweden)

    Rashid M.H.

    2011-10-01

    Full Text Available Excitation functions for sixteen evaporation residues produced in the interaction of 20Ne with 165Ho have been measured in the projectile energy range ≈88-164 MeV, using catcher foil activation technique followed by gamma-ray spectrometry. It has been found in general that the excitation functions of evaporation residues produced via xn/pxn channels satisfactorily reproduced with the statistical model code PACE-2 after subtraction of precursor decay contribution. The significant enhancement in the measured excitation functions for the residues produced in alpha emission channels over the PACE-2 predictions has been observed. These alpha emission channels are attributed to incomplete fusion reaction process. The results indicate the occurrence of incomplete fusion involving break-up of projectile 20Ne into 4He + 16O and /or 8Be + 12C followed by fusion of one of the fragments with target nucleus 165Ho. The analysis of the present data suggest that probability of incomplete fusion increases with projectile energy. The ICF fraction FICF also increases with increasing mass-asymmetry of the entrance channel.

  5. On isospin excitation energy

    International Nuclear Information System (INIS)

    Li Wenfei; Zhang Fengshou; Chen Liewen

    2001-01-01

    Within the framework of Hartree-Fock theory using the extended Skyrme effective interaction, the isospin excitation energy as a function of relative neutron excess δ was investigated at different temperatures and densities. It was found that the isospin excitation energy decreased with the increment of temperature and/or the decrement of density. The authors pointed out that the decrement of isospin excitation energy was resulted from the weakening of quantum effect with increment of temperature and/or decrement of density. Meanwhile, the relationship between the isospin excitation energy and the symmetry energy was discussed and found that the symmetry energy was just a part of the isospin excitation energy. With increasing temperature and decreasing density, the contribution of the symmetry energy to the isospin excitation energy becomes more and more important. The isospin excitation energy as a function of relative neutron excess was also investigated using different potential parameters. The results shows that the isospin excitation energy is almost independent of the incompressibility and the effective mass, but strongly depends on the symmetry energy strength coefficient, which indicates that it is possible to extract the symmetry energy of the nuclear equation of state by investigating the isospin excitation energy in experiments

  6. Electronic states of the θ' phase in Cu-Al alloys as compared to C16-CuAl2: Cu Lα emission excited directly by undulator radiation

    Science.gov (United States)

    Dallera, C.; de Michelis, B.; Puppin, E.; Braicovich, L.; Brookes, N. B.

    1996-01-01

    The electronic states of the θ' phase formed by thermal aging in the Al-Cu (0.5 at. %) alloy are compared with those in C16-CuAl2, which is the final phase separated at equilibrium. This is done by means of Cu Lα fluorescence spectroscopy. The high brilliance of undulator radiation used as an excitation source is exploited. The spectra are taken using the first harmonic of the undulator at 1.7 keV, with a full width half maximum of ~250 eV. A narrowing of around 0.5 eV of the Cu Lα spectra in the θ' phase is found. This is explained in terms of the differences in the Cu 3d-Cu 3d interaction in the two phases and of the hybridization between Cu 3d and the nearly free-electron-like electrons. The results demonstrate the future possibilities of fluorescence spectroscopy of minority species in inhomogeneous systems.

  7. From the HINDAS Project: Excitation Functions for Residual Nuclide Production by Proton-Induced Reactions

    International Nuclear Information System (INIS)

    Michel, R.; Gloris, M.; Protoschill, J.; Uosif, M.A.M.; Weug, M.; Herpers, U.; Kuhnhenn, J.; Kubik, P.-W.; Schumann, D.; Synal, H.-A.; Weinreich, R.; Leya, I.; David, J.C.; Leray, S.; Duijvestijn, M.; Koning, A.; Kelic, A.; Schmidt, K.H.; Cugnon, J.

    2005-01-01

    A survey is given about efforts undertaken during the HINDAS project to investigate the energy dependence of residual nuclide production by proton-induced reactions from thresholds up to 2.6 GeV. For proton-induced reactions, our experiments aimed to further develop and complete the cross-section database that was established by our collaboration in recent years. It was extended to the heavy-target elements Ta, W, Pb, and Bi for energies up to 2.6 GeV. In addition, new measurements for the target element iron were performed up to 2.6 GeV and for natural uranium for energies from 21 MeV to 69 MeV. For the target element lead, a comprehensive set of excitation functions published recently was completed by AMS-measurements of cross sections for the production of the long-lived radionuclides Be-10, Al-26, Cl-36, and I-129 and by mass spectrometric measurements for stable and radioactive rare gas isotopes of He, Ne, Ar, Kr, and Xe. Comprehensive tests of the nuclear-reaction codes TALYS and INCL4+ABLA, which were developed within the HINDAS project, were performed with the new experimental results over the entire energy range

  8. Excited hexagon Wilson loops for strongly coupled N=4 SYM

    Energy Technology Data Exchange (ETDEWEB)

    Bartels, J.; Kotanski, J. [Hamburg Univ. (Germany). II. Inst. fuer Theoretische Physik; Schomerus, V. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); British Columbia Univ., Vancouver, BC (Canada). Dept. of Physics and Astronomy

    2010-10-15

    This work is devoted to the six-gluon scattering amplitude in strongly coupled N=4 supersymmetric Yang-Mills theory. At weak coupling, an appropriate high energy limit of the so-called remainder function, i.e. of the deviation from the BDS formula, may be understood in terms of the lowest eigenvalue of the BFKL hamiltonian. According to Alday et al., amplitudes in the strongly coupled theory can be constructed through an auxiliary 1-dimensional quantum system. We argue that certain excitations of this quantum system determine the Regge limit of the remainder function at strong coupling and we compute its precise value. (orig.)

  9. Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description.

    Science.gov (United States)

    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.

  10. Excited-State Dynamics of Carotenoids Studied by Femtosecond Transient Absorption Spectroscopy

    International Nuclear Information System (INIS)

    Lee, Ingu; Pang, Yoonsoo; Lee, Sebok

    2014-01-01

    Carotenoids, natural antenna pigments in photosynthesis share a symmetric backbone of conjugated polyenes. Contrary to the symmetric and almost planar geometries of carotenoids, excited state structure and dynamics of carotenoids are exceedingly complex. In this paper, recent infrared and visible transient absorption measurements and excitation dependent dynamics of 8'-apo-β-caroten-8'-al and 7',7'-dicyano-7'-apo-β-carotene will be reviewed. The recent visible transient absorption measurements of 8'-apo-β-caroten-8'-al in polar and nonpolar solvents will also be introduced to emphasize the complex excited-state dynamics and unsolved problems in the S 2 and S 1 excited states

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

    Directory of Open Access Journals (Sweden)

    Peng Xu

    2018-04-01

    Full Text Available 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.

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

    Science.gov (United States)

    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.

  13. Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states

    DEFF Research Database (Denmark)

    Senjean, Bruno; Knecht, Stefan; Jensen, Hans Jørgen Aa

    2015-01-01

    Gross-Oliveira-Kohn density-functional theory (GOK-DFT) for ensembles is, in principle, very attractive but has been hard to use in practice. A practical model based on GOK-DFT for the calculation of electronic excitation energies is discussed. The model relies on two modifications of GOK-DFT: use...... promising results have been obtained for both single (including charge transfer) and double excitations with spin-independent short-range local and semilocal functionals. Even at the Kohn-Sham ensemble DFT level, which is recovered when the range-separation parameter is set to 0, LIM performs better than...

  14. Study of atomic excitations in sputtering with targets partially covered with oxygen

    International Nuclear Information System (INIS)

    Weng, J.; Veje, E.

    1984-01-01

    We have bombarded pure, elemental targets of Be, B, Mg, Al, Si, Ti, and Au with 80 keV Ar + ions and studied excitation of sputtered atoms or ions under UHV conditions as well as with oxygen present at the target surface. The measurements on Mg, Al, Si, and Ti have been done at projectile incidence angles from 0 0 to 85 0 . Excitation probabilities for gold were found to be only very little influenced by oxygen, but for Be, B, Mg, Al, Si, and Ti, the excitation probabilities were in many, but not all, cases found to depend strongly on the oxygen pressure as well as on the beam current density. This indicates that the excitation mechanism is strongly dependent on the initial electronic conditions of the solid. (orig.)

  15. Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states

    Science.gov (United States)

    Alam, Md. Mehboob; Deur, Killian; Knecht, Stefan; Fromager, Emmanuel

    2017-11-01

    The extrapolation technique of Savin [J. Chem. Phys. 140, 18A509 (2014)], which was initially applied to range-separated ground-state-density-functional Hamiltonians, is adapted in this work to ghost-interaction-corrected (GIC) range-separated ensemble density-functional theory (eDFT) for excited states. While standard extrapolations rely on energies that decay as μ-2 in the large range-separation-parameter μ limit, we show analytically that (approximate) range-separated GIC ensemble energies converge more rapidly (as μ-3) towards their pure wavefunction theory values (μ → +∞ limit), thus requiring a different extrapolation correction. The purpose of such a correction is to further improve on the convergence and, consequently, to obtain more accurate excitation energies for a finite (and, in practice, relatively small) μ value. As a proof of concept, we apply the extrapolation method to He and small molecular systems (viz., H2, HeH+, and LiH), thus considering different types of excitations such as Rydberg, charge transfer, and double excitations. Potential energy profiles of the first three and four singlet Σ+ excitation energies in HeH+ and H2, respectively, are studied with a particular focus on avoided crossings for the latter. Finally, the extraction of individual state energies from the ensemble energy is discussed in the context of range-separated eDFT, as a perspective.

  16. Fourier analysis of nonself-averaging quasiperiodic oscillations in the excitation functions of dissipative heavy-ion collisions: quantum chaos in dissipative heavy-ion collisions?

    International Nuclear Information System (INIS)

    Kun, S.Yu.; Australian Nat. Univ., Canberra; Australian National Univ., Canberra, ACT

    1997-01-01

    We employ stochastic modelling of statistical reactions with memory to study quasiperiodic oscillations in the excitation functions of dissipative heavy-ion collisions. The Fourier analysis of excitation function oscillations is presented. It suggests that S-matrix spin and parity decoherence, damping of the coherent nuclear rotation and quantum chaos are sufficient conditions to explain the nonself-averaging of quasiperiodic oscillations in the excitation functions of dissipative heavy-ion collisions. (orig.)

  17. Excitation function of elastic $pp$ scattering from a unitarily extended Bialas-Bzdak model

    CERN Document Server

    Nemes, F.; Csanád, M.

    2015-01-01

    The Bialas-Bzdak model of elastic proton-proton scattering assumes a purely imaginary forward scattering amplitude, which consequently vanishes at the diffractive minima. We extended the model to arbitrarily large real parts in a way that constraints from unitarity are satisfied. The resulting model is able to describe elastic $pp$ scattering not only at the lower ISR energies but also at $\\sqrt{s}=$7~TeV in a statistically acceptable manner, both in the diffractive cone and in the region of the first diffractive minimum. The total cross-section as well as the differential cross-section of elastic proton-proton scattering is predicted for the future LHC energies of $\\sqrt{s}=$13, 14, 15~TeV and also to 28~TeV. A non-trivial, significantly non-exponential feature of the differential cross-section of elastic proton-proton scattering is analyzed and the excitation function of the non-exponential behavior is predicted. The excitation function of the shadow profiles is discussed and related to saturation at small ...

  18. Synthesis of novel Dy3+ activated phosphate phosphors for NUV excited LED

    International Nuclear Information System (INIS)

    Shinde, K.N.; Dhoble, S.J.; Kumar, Animesh

    2011-01-01

    The new trivalent dysprosium activated X 6 AlP 5 O 20 (where X=Sr, Ba, Ca and Mg) phosphors were prepared by the combustion method. The prepared phosphors are characterized by XRD, photoluminescence and SEM techniques. Excited by 350 nm near-ultraviolet (NUV) light, the phosphors show an efficient blue and yellow band emissions, which originates from the 4 F 9/2 → 6 H 15/2 and 4 F 9/2 → 6 H 13/2 transitions of Dy 3+ ion, respectively. The excitation spectra of the phosphors are broadband extending from 340 to 400 nm, which are characteristics of NUV excited LED. The effect of the Dy 3+ concentration on the luminescence properties of X 6 AlP 5 O 20 :Dy 3+ (where X=Sr, Ba, Ca and Mg) phosphors is studied. Ca 6 AlP 5 O 20 phosphors show strong PL emission intensity around 25 times more as compared to Ba 6 AlP 5 O 20 , Sr 6 AlP 5 O 20 and Mg 6 AlP 5 O 20 phosphors. The investigated prepared phosphors are suitable for a NUV excited LED. - Research highlights: → Novel Dy 3+ activated X 6 AlP 5 O 20 (where X=Sr,Ba,Ca and Mg) phosphors were prepared by combustion method which is very low cost and time saving synthesis method. → The excitation spectra of the phosphors are broad band extending from 340 nm to 400 nm, which is characteristics of NUV excited LED. → PL emission spectra show two emissions (485 and 573 nm) and X 6 AlP 5 O 20 :Dy 3+ 0.5 mol% (where X=Sr,Ba,Ca and Mg) phosphors shows strongest PL emission intensity. → SEM analysis indicates that phosphor particles have irregular shape, porous morphology and less than 3-4 μm in size, which is suitable for the solid state lighting (coating purpose).

  19. Excited-State Dynamics of Carotenoids Studied by Femtosecond Transient Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ingu; Pang, Yoonsoo [Department of Physics and Photon Science, Gwangju (Korea, Republic of); Lee, Sebok [Gwangju Institute of Science and Technology, Gwangju (Korea, Republic of)

    2014-03-15

    Carotenoids, natural antenna pigments in photosynthesis share a symmetric backbone of conjugated polyenes. Contrary to the symmetric and almost planar geometries of carotenoids, excited state structure and dynamics of carotenoids are exceedingly complex. In this paper, recent infrared and visible transient absorption measurements and excitation dependent dynamics of 8'-apo-β-caroten-8'-al and 7',7'-dicyano-7'-apo-β-carotene will be reviewed. The recent visible transient absorption measurements of 8'-apo-β-caroten-8'-al in polar and nonpolar solvents will also be introduced to emphasize the complex excited-state dynamics and unsolved problems in the S{sub 2} and S{sub 1} excited states.

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

    Science.gov (United States)

    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.

  1. Evaluation of isomeric excitation functions in neutron induced reactions

    International Nuclear Information System (INIS)

    Grudzevich, O.; Ignatyuk, A.; Zolotarev, K.

    1992-01-01

    The possibilities of isomer levels experimental excitation functions description with theoretical models are discussed. It is shown that the experimental data in many cases can be described by theoretical models quite well without parameter fitting. However, large discrepancies are observed for some reactions. In our opinion, these discrepancies are due to uncertainties of discrete level schemes, schemes of gamma-transitions between levels and spin dependence of level density. Small values of isomeric ratios (< 0.1) have been described with the largest errors. The simple formulae for energy dependence of isomeric ratio for (n,g) reaction has been proposed. (author). 53 refs, 10 figs, 8 tabs

  2. Delta function excitation of waves in the earth's ionosphere

    Science.gov (United States)

    Vidmar, R. J.; Crawford, F. W.; Harker, K. J.

    1983-01-01

    Excitation of the earth's ionosphere by delta function current sheets is considered, and the temporal and spatial evolution of wave packets is analyzed for a two-component collisional F2 layer. Approximations of an inverse Fourier-Laplace transform via saddle point methods provide plots of typical wave packets. These illustrate cold plasma wave theory and may be used as a diagnostic tool since it is possible to relate specific features, e.g., the frequency of a modulation envelope, to plasma parameters such as the electron cyclotron frequency. It is also possible to deduce the propagation path length and orientation of a remote radio beacon.

  3. Geophysical excitation of the chandler wobble revisited

    OpenAIRE

    A. Brzezinski; Henryk Dobslaw; Robert Dill; Maik Thomas

    2012-01-01

    The 14-month Chandler wobble is a free motion of the pole excited by geophysical processes. Several recent studies demonstrated that the combination of atmospheric and oceanic excitations contains enough power at the Chandler frequency and is significantly coherent with the observed free wobble. This paper is an extension of earlier studies by Brzeziński and Nastula (Adv Space Res 30:195–200, 2002), Brzeziński et al. (Oceanic excitation of the Chandler wobble using a 50-year time series of oc...

  4. Testing an excited-state energy density functional and the associated potential with the ionization potential theorem

    International Nuclear Information System (INIS)

    Hemanadhan, M; Shamim, Md; Harbola, Manoj K

    2014-01-01

    The modified local spin density (MLSD) functional and the related local potential for excited states is tested by employing the ionization potential theorem. The exchange functional for an excited state is constructed by splitting k-space. Since its functional derivative cannot be obtained easily, the corresponding exchange potential is given by an analogy to its ground-state counterpart. Further, to calculate the highest occupied orbital energy ϵ max accurately, the potential is corrected for its asymptotic behaviour by employing the van Leeuwen and Baerends (LB) correction to it. ϵ max so obtained is then compared with the ΔSCF ionization energy calculated using the MLSD functional with self-interaction correction for the orbitals involved in the transition. It is shown that the two match quite accurately. The match becomes even better by tuning the LB correction with respect to a parameter in it. (paper)

  5. A search for parameters of universal sub-barrier fusion excitation function

    Energy Technology Data Exchange (ETDEWEB)

    Qu, W.W. [Medical College of Soochow University, School of Radiation Medicine and Protection, Soochow (China); Zhang, G.L. [Beihang University, School of Physics and Nuclear Energy Engineering, Beijing (China); Wolski, R. [Henryk Niewodniczanski Institute of Nuclear Physics PAS, Cracow (Poland)

    2016-11-15

    Many fusion experimental data have been analyzed in terms of a simple universal function which could be used for predictions of fusion cross section below the barrier for arbitrary systems. Sub-barrier fusions based on the concept of Q -fusion value dependence were studied. It is attempted to parameterize the energy-reduced fusion excitation functions around the Coulomb barriers by an analytical phenomenological function. It was found that the speed of driving nuclei towards fusion is faster with the increase of mass asymmetry of colliding systems and those systems with a large difference of the ratio of neutrons to protons. However, a general trend with respect to total mass has not been observed. An exposition of more qualitative conclusions is hindered by apparent inconsistencies of measured fusion cross sections. (orig.)

  6. Excitation functions of proton induced reactions on {sup nat}Fe in the energy region up to 45 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kwangsoo [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Khandaker, Mayeen Uddin [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Department of Physics, University of Malaya, 50603 Kuala Lumpur (Malaysia); Naik, Haladhara [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Radiochemistry Division, Bhabha Atomic Research Center, Trombay, Mumbai 400085 (India); Kim, Guinyun, E-mail: gnkim@knu.ac.kr [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of)

    2014-03-01

    The excitation functions of various reaction products such as {sup 55,56,57}Co, {sup 52}Fe, {sup 52,54}Mn, and {sup 51}Cr in the {sup nat}Fe(p, x) reactions were measured by the stacked-foil activation technique in the energy range between their respective reaction threshold and 45 MeV at the MC-50 cyclotron of the Korean Institute of Radiological and Medical Sciences, Korea. The present experimental data were compared with the existing literature data. It was found that excitation function of {sup 56,57}Co and {sup 51}Cr from the {sup nat}Fe(p, x) reaction are in agreement with the literature data. However, the cross-sections for {sup nat}Fe(p, x){sup 52}Fe reactions are lower and those for {sup nat}Fe(p, x){sup 52}Mn and {sup nat}Fe(p, x){sup 54}Mn reactions are higher than the literature data. The reaction cross-sections of the above mentioned reaction products were also compared with those from the TENDL-2012 library based on the TALYS-1.4 program as a function of proton energy, which was reproduced the trend of the excitation functions of the experimental {sup nat}Fe(p, x) reaction cross-section. The integral yields for thick target of the investigated radionuclides were calculated from the excitation function.

  7. Nuclear excitation in muonic gold

    CERN Document Server

    Robert Tissot, B; Debrunner, P; Engfer, R; Link, R; Schellenberg, L; Schneuwly, H; Walter, H K

    1973-01-01

    Energies and intensities of muonic X-rays in gold were measured at the CERN muon channel with an experimental set-up as described by Backe et al. (1972). The 2p-1s and 3d-2p transitions could only be analysed taking into account beside the static quadrupole interaction a dynamical hyperfine interaction of the 2p states, which leads to an excitation of the first four nuclear levels. The dynamical hyperfine interaction was calculated using the core excitation model (de Shalit, (1961)). (0 refs).

  8. No evidence of reduced collectivity in Coulomb-excited Sn isotopes

    Science.gov (United States)

    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 .

  9. Analysis of the excitation functions for 3He- and α-induced reactions on 107Ag and 109Ag

    International Nuclear Information System (INIS)

    Misaelides, P.

    1976-06-01

    Excitation functions of 32 3 He- and α-induced nuclear reactions on 107 Ag and 109 Ag have been measured. The incident projectile energies ranged from 10 to 40 MeV for the 3 He-ions and 10 to 100 MeV for the α-particles. The recoil range of some 3 He-induced reaction products and the isomeric ratio values indicate the predominance of a precompound-compound nucleous mechanism. The experimental cross sections were compared with the excitation functions calculated on the basis of the compound nucleus and hybrid models. Using the values n 0 ( 3 He) = 5 and n 0 (α) = 4 for the initial exciton number and a = A/12.5 for the level density parameter a satisfactory reproduction of the experimental results for the α-induced reactions was achieved, whereas the calculated excitation functions for the 3 He-induced reactions are about a factor of two higher. (orig.) [de

  10. Integral excitation functions for proton and alpha induced reactions on target elements 22 <= Z <= 28

    International Nuclear Information System (INIS)

    Brinkmann, G.

    1979-01-01

    In the framework of a systematic study which is also important for certain cosmological questions a series of integral excitation functions of p- and α-induced nuclear reactions on target elements 22 [de

  11. Calculation of excitation functions of the 54, 56, 57, 58 Fe (p, n ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 83; Issue 4. Calculation of excitation functions of the 54,56,57 ... Proton-induced reaction cross-sections provide clues to understand the nuclear structure and offers a good testing ground for ideas about nuclear forces. In addition, complete information in this field is ...

  12. Excitation functions for 121,123Sb(α,xn), (x=1-4) reactions in approx. 10-40 MeV range

    International Nuclear Information System (INIS)

    Prasad, R.; Bhardwaj, H.D.

    1986-04-01

    Excitation functions for 121 Sb(α,n), 121 Sb(α,2n), 123 Sb(α,n) and 123 Sb(α,3n) reactions in the energy range approx. 10 to 40 MeV have been measured using stacked-foil technique and are calculated theoretically using statistical model with and without the inclusion of pre-equilibrium emission. Inclusion of pre-equilibrium emission is found to give good agreement between the experimental and measured excitation functions. (author)

  13. Excitation functions for quasielastic transfer reactions induced with heavy ions in bismuth

    International Nuclear Information System (INIS)

    Gardes, D.; Bimbot, R.; Maison, J.; de Reilhac, L.; Rivet, M.F.; Fleury, A.; Hubert, F.; Llabador, Y.

    1978-01-01

    The excitation functions for the production of 210 Bi, 210 Po, /sup 207-211/At, and 211 Rn through quasielastic transfer reactions induced with heavy ions in 209 Bi have been measured. The corresponding reactions involved the transfer of one neutron, one proton, two charges, and three charges from projectile to target. The projectiles used were 12 C, 14 N, 16 O, 19 F, 20 Ne, 40 Ar, 40 Ca, 56 Fe, and 63 Cu. The experimental techniques involved target irradiations and off-line α and γ activity measurements. Chemical separations were used to solve specific problems. Careful measuremnts of incident energies and cross sections were performed close to the reaction thresholds. All excitation functions exhibit the typical features of quasielastic transfer reactions: a sharp increase at low energy, and a constant value at high incident energy. The position of the thresholds are strongly influenced by the energetics of the reaction: High cross sections are observed under the strong interaction barrier if the energy balance at the minimum distance of approach is positive. This balance is equal to the difference between the interaction potentials in the entrance and exit channels, corrected for the mass balance. The constant cross sections observed for the high energy part of a given excitation function are consistent with the assumption that the curve P (R) which represents the transfer probability versus the distance between the nucleus centers does not vary with incident energy. This assumption implies the constancy of the optimum distance of approach R/sub opt/, of the R window ΔR for which P (R) is significant, and of the magnitude of P (R). Moreover the data show that the high energy cross sections for one-proton transfer are independent of the projectile, while odd-even effects of the projectile atomic number Z on the two-charge transfer cross sections are observed for the lightest incident ions 14 N to 20 Ne

  14. Spectrographic determination of impurities in ammonium bifluoride. III. Study of the processes of vaporization, transport and excitation of the elements Al, B, Cu and Cr

    International Nuclear Information System (INIS)

    Alduan, F. A.; Roca, M.; Capdevila, C.

    1979-01-01

    The influences of the processes of vaporization, transport and excitation on the shape of the volatilization-excitation curves and on the values of the spectral-line intensities have been investigated in a method for the spectrographic determination of Al, B, Cu and Cr In ammonium bifluoride samples by direct current are excitation in Scribner type electrodes, with addition of different matrices (graphite, 63203, GeO 2 , MgO and Zn0). The reaction products in the electrode cavity have been identified by X-ray powder diffraction analysis and the percentages of vaporized and diffused element evaluated through analysis by total-burning spectrographic methods. In addition, the values of both the number of particles entering the discharge column and the transport efficiencies have been calculated. Thus, the origin of most observed differences has been explained. (Author) 11 refs

  15. Separation of reaction mechanisms at low energy. Study of the reactions: 27Al(d,p) 28Al, 24Mg(d,p) 25Mg, and 24Mg(d, α) 22Na

    International Nuclear Information System (INIS)

    Mermaz, M.

    1966-06-01

    The two sets of angular distributions of (d,p) reactions on Al and Mg, measured between 2 and 6 MeV, have given the possibility to test, in analysing the statistical fluctuations of cross-section, the validity of the separation of their mean values in two parts, one 'direct', another given by the statistical mechanism. With the same method of analysis we have studied excitation functions for several alpha groups of the reaction 24 Mg(d, α) 22 Na and given an evidence for an intermediate structure for the alpha channel leading to the 3. excited state of 22 Na. The angular distribution of the wide resonance at 15.9 MeV in 26 Al has been obtained. (author) [fr

  16. Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States.

    Science.gov (United States)

    Chen, Zehua; Zhang, Du; Jin, Ye; Yang, Yang; Su, Neil Qiang; Yang, Weitao

    2017-09-21

    To describe static correlation, we develop a new approach to density functional theory (DFT), which uses a generalized auxiliary system that is of a different symmetry, such as particle number or spin, from that of the physical system. The total energy of the physical system consists of two parts: the energy of the auxiliary system, which is determined with a chosen density functional approximation (DFA), and the excitation energy from an approximate linear response theory that restores the symmetry to that of the physical system, thus rigorously leading to a multideterminant description of the physical system. The electron density of the physical system is different from that of the auxiliary system and is uniquely determined from the functional derivative of the total energy with respect to the external potential. Our energy functional is thus an implicit functional of the physical system density, but an explicit functional of the auxiliary system density. We show that the total energy minimum and stationary states, describing the ground and excited states of the physical system, can be obtained by a self-consistent optimization with respect to the explicit variable, the generalized Kohn-Sham noninteracting density matrix. We have developed the generalized optimized effective potential method for the self-consistent optimization. Among options of the auxiliary system and the associated linear response theory, reformulated versions of the particle-particle random phase approximation (pp-RPA) and the spin-flip time-dependent density functional theory (SF-TDDFT) are selected for illustration of principle. Numerical results show that our multireference DFT successfully describes static correlation in bond dissociation and double bond rotation.

  17. Excitation function and isomeric ratio of Tc-isotopes from the 93Nb(α, xn) reaction

    International Nuclear Information System (INIS)

    Kim, K.; Kim, G.N.; Naik, H.; Zaman, M.; Yang, S.-C.; Song, T.-Y.; Guin, R.; Das, S.K.

    2015-01-01

    The excitation functions of 94–96 Tc isotopes and independent isomeric ratios of 93m, g Tc, 94m, g Tc, and 95m, g Tc from the 93 Nb(α, xn) reaction within the energy range below 40 MeV have been determined by using a stacked-foil activation and an off-line γ-ray spectrometric technique at the Variable Energy Cyclotron Center, Kolkota, India. The excitation function of 94–96 Tc in the 93 Nb(α, xn) reaction was also calculated by using the computer code TALYS 1.6. The present data are found to be in general agreement with the literature data but have similar trend with some deviation from calculated data of the TALYS 1.6 code. The isomeric ratios of 93m, g Tc, 94m, g Tc, and 95m, g Tc in the 93 Nb(α, xn) reactions from the present work and literature data were compared with similar data in the 93 Nb( 3 He, xn) and 96 Mo(p, xn) reactions. In all the three reactions, the isomeric ratios increase with the increasing excitation energy. However, at all excitation energies, the isomeric ratios of 93m, g Tc, 94m, g Tc, and 95m, g Tc in the 93 Nb(α, xn) and 93 Nb( 3 He, xn) reactions are higher than those in the 96 Mo(p, xn) reactions, which indicate the role of input angular momentum besides excitation energy. Above the excitation energy of 35–55 MeV, the isomeric ratios of 95m, g Tc, 94m, g Tc, and 93m, g Tc decrease in all the 93 Nb(α, xn), 93 Nb( 3 He, xn) and 96 Mo(p, xn) reactions. This decreasing trend at higher excitation energy indicates the starting of pre-equilibrium reaction, which depends on the target, projectile, and type of reaction products

  18. BAD and KATP channels regulate neuron excitability and epileptiform activity.

    Science.gov (United States)

    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.

  19. 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.

    Science.gov (United States)

    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.

  20. Electron-impact excitation of the potassium atom

    International Nuclear Information System (INIS)

    Phelps, J.O.; Solomon, J.E.; Korff, D.F.; Lin, C.C.; Lee, E.T.P.

    1979-01-01

    Absolute optical electron-impact excitation functions for 24 transitions of the sharp, principal, diffuse, and fundamental spectral series of potassium have been measured. The determination of the density of the potassium vapor in the collision chamber was made by measuring the degree of transmission, by the vapor, of potassium resonance radiation generated externally in a fluorescence cell. Direct excitation functions were determined for 14 states (5S, 6S, 7S, 8S, 4P, 5P, 6P, 7P, 3D, 5D, 6D, 5F, 6F, and 7F) with the aid of known radiative-transition probabilities. Theoretical calculations of these same 14 excitation functions, as well as 4D and 4F, were carried out by means of the Born approximation. The 4P, 5P, 5S, 3D, and 4D direct excitation functions at intermediate energies (10--25 eV) were also calculated by the method of multistate close coupling, neglecting projectile--target-electron exchange. The high-energy (above 100 eV) Born-approximation cross sections agree with the experimental results for 4P and for all S states, but are lower than experimental results, by 30--40%, for the D and F states. At intermediate energies the close-coupling excitation calculations agree well with the experimental excitation functions for 4P and 5P, but are significantly higher than experimental values for 5S and 3D. The discrepancies between the experimental and theoretical results are probably due to a combination of systematic experimental errors, errors in the available transition-probability values, and errors in the theoretical excitation functions introduced by the use of approximate excited-state wave functions (Hartree-Fock-Slater), by the neglect of projectile--target-electron exchange. The polarization of the 4P-4S and 3D-4P radiation produced by electron impact was measured, and the results were used to determine the direct excitation functions of the separate magnetic sublevels of the 4P state

  1. Highly excited strings I: Generating function

    Directory of Open Access Journals (Sweden)

    Dimitri P. Skliros

    2017-03-01

    Full Text Available This is the first of a series of detailed papers on string amplitudes with highly excited strings (HES. In the present paper we construct a generating function for string amplitudes with generic HES vertex operators using a fixed-loop momentum formalism. We generalise the proof of the chiral splitting theorem of D'Hoker and Phong to string amplitudes with arbitrary HES vertex operators (with generic KK and winding charges, polarisation tensors and oscillators in general toroidal compactifications E=RD−1,1×TDcr−D (with generic constant Kähler and complex structure target space moduli, background Kaluza–Klein (KK gauge fields and torsion. We adopt a novel approach that does not rely on a “reverse engineering” method to make explicit the loop momenta, thus avoiding a certain ambiguity pointed out in a recent paper by Sen, while also keeping the genus of the worldsheet generic. This approach will also be useful in discussions of quantum gravity and in particular in relation to black holes in string theory, non-locality and breakdown of local effective field theory, as well as in discussions of cosmic superstrings and their phenomenological relevance. We also discuss the manifestation of wave/particle (or rather wave/string duality in string theory.

  2. Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study

    Science.gov (United States)

    Xu, Wenhua; Ma, Jianyi; Peng, Daoling; Zou, Wenli; Liu, Wenjian; Staemmler, Volker

    2009-02-01

    The perrhenate anion, ReO4-, is taken as a showcase of heavy transition metal complexes, to examine the performance of time-dependent relativistic density functional linear response theory for electronic excitations, which is based on a newly proposed exact two-component Hamiltonian resulting from the symmetrized elimination of the small component. In total 30 scalar and 63 spinor excited states are investigated and the results are grossly in good agreement with those by the singles and doubles coupled-cluster linear response theory. It is found that only a few scalar states of 3T1 and 3T2 symmetries are split significantly by the spin-orbit coupling, whereas only those excited states involving the Rydberg-type virtual orbital are affected by the solvent effects. The nature of the optical absorption spectra is also highlighted.

  3. Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study

    International Nuclear Information System (INIS)

    Xu Wenhua; Ma Jianyi; Peng Daoling; Zou Wenli; Liu Wenjian; Staemmler, Volker

    2009-01-01

    The perrhenate anion, ReO 4 - , is taken as a showcase of heavy transition metal complexes, to examine the performance of time-dependent relativistic density functional linear response theory for electronic excitations, which is based on a newly proposed exact two-component Hamiltonian resulting from the symmetrized elimination of the small component. In total 30 scalar and 63 spinor excited states are investigated and the results are grossly in good agreement with those by the singles and doubles coupled-cluster linear response theory. It is found that only a few scalar states of 3 T 1 and 3 T 2 symmetries are split significantly by the spin-orbit coupling, whereas only those excited states involving the Rydberg-type virtual orbital are affected by the solvent effects. The nature of the optical absorption spectra is also highlighted

  4. Assessment of the Global and Regional Land Hydrosphere and Its Impact on the Balance of the Geophysical Excitation Function of Polar Motion

    Science.gov (United States)

    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.

  5. Two-photon excitation of porphyrin-functionalized porous silicon nanoparticles for photodynamic therapy.

    Science.gov (United States)

    Secret, Emilie; Maynadier, Marie; Gallud, Audrey; Chaix, Arnaud; Bouffard, Elise; Gary-Bobo, Magali; Marcotte, Nathalie; Mongin, Olivier; El Cheikh, Khaled; Hugues, Vincent; Auffan, Mélanie; Frochot, Céline; Morère, Alain; Maillard, Philippe; Blanchard-Desce, Mireille; Sailor, Michael J; Garcia, Marcel; Durand, Jean-Olivier; Cunin, Frédérique

    2014-12-03

    Porous silicon nanoparticles (pSiNPs) act as a sensitizer for the 2-photon excitation of a pendant porphyrin using NIR laser light, for imaging and photodynamic therapy. Mannose-functionalized pSiNPs can be vectorized to MCF-7 human breast cancer cells through a mannose receptor-mediated endocytosis mechanism to provide a 3-fold enhancement of the 2-photon PDT effect. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Constraining nuclear photon strength functions by the decay properties of photo-excited states

    Science.gov (United States)

    Isaak, J.; Savran, D.; Krtička, M.; Ahmed, M. W.; Beller, J.; Fiori, E.; Glorius, J.; Kelley, J. H.; Löher, B.; Pietralla, N.; Romig, C.; Rusev, G.; Scheck, M.; Schnorrenberger, L.; Silva, J.; Sonnabend, K.; Tonchev, A. P.; Tornow, W.; Weller, H. R.; Zweidinger, M.

    2013-12-01

    A new approach for constraining the low-energy part of the electric dipole Photon Strength Function (E1-PSF) is presented. Experiments at the Darmstadt High-Intensity Photon Setup and the High Intensity γ→-Ray Source have been performed to investigate the decay properties of 130Te between 5.50 and 8.15 MeV excitation energy. In particular, the average γ-ray branching ratio to the ground state and the population intensity of low-lying excited states have been studied. A comparison to the statistical model shows that the latter is sensitive to the low-energy behavior of the E1-PSF, while the average ground state branching ratio cannot be described by the statistical model in the energy range between 5.5 and 6.5 MeV.

  7. Voiced Excitations

    National Research Council Canada - National Science Library

    Holzricher, John

    2004-01-01

    To more easily obtain a voiced excitation function for speech characterization, measurements of skin motion, tracheal tube, and vocal fold, motions were made and compared to EM sensor-glottal derived...

  8. Density functional theory study of Al-doped hematite

    International Nuclear Information System (INIS)

    Rivera, Richard; Stashans, Arvids; Piedra, Lorena; Pinto, Henry P

    2012-01-01

    Using first-principles density functional theory calculations within the generalized gradient approximation (GGA) as well as the GGA+U approach, we study Al-doped α-Fe 2 O 3 crystals. Structural, electronic, magnetic and optical properties due to impurity incorporation have been investigated and discussed in detail. Atomic displacements and Bader charges on atoms have been computed, showing that Al dopant converts the chemical bonding in its neighbourhood into a more ionic one. This work enhances our knowledge about how a crystalline lattice reacts in the presence of an Al impurity. It was found that Al incorporation produces some local changes in the band structure of the material without the creation of local energy levels within the band gap. The results provide evidence for changes in the magnetic moments in the vicinity of a defect, which means that α-Fe 2 O 3 doped with aluminum might not act as an antiferromagnetic substance.

  9. High excitation of the species in nitrogen–aluminum plasma generated by electron cyclotron resonance microwave discharge of N2 gas and pulsed laser ablation of Al target

    International Nuclear Information System (INIS)

    Liang, Peipei; Li, Yanli; Cai, Hua; You, Qinghu; Yang, Xu; Huang, Feiling; Sun, Jian; Xu, Ning; Wu, Jiada

    2014-01-01

    A reactive nitrogen–aluminum plasma generated by electron cyclotron resonance (ECR) microwave discharge of N 2 gas and pulsed laser ablation of an Al target is characterized spectroscopically by time-integrated and time-resolved optical emission spectroscopy (OES). The vibrational and rotational temperatures of N 2 species are determined by spectral simulation. The generated plasma strongly emits radiation from a variety of excited species including ambient nitrogen and ablated aluminum and exhibits unique features in optical emission and temperature evolution compared with the plasmas generated by a pure ECR discharge or by the expansion of the ablation plume. The working N 2 gas is first excited by ECR discharge and the excitation of nitrogen is further enhanced due to the fast expansion of the aluminum plume induced by target ablation, while the excitation of the ablated aluminum is prolonged during the plume expansion in the ECR nitrogen plasma, resulting in the formation of strongly reactive nitrogen–aluminum plasma which contains highly excited species with high vibrational and rotational temperatures. The enhanced intensities and the prolonged duration of the optical emissions of the combined plasma would provide an improved analytical capability for spectrochemical analysis. - Highlights: • ECR discharge and pulsed laser ablation generate highly excited ECR–PLA plasma. • The expansion of PLA plasma results in excitation enhancement of ECR plasma species. • The ECR plasma leads to excitation prolongation of PLA plasma species. • The ECR–PLA plasma emits strong emissions from a variety of excited species. • The ECR–PLA plasma maintains high vibrational–rotational temperatures for a long time

  10. Using Constraints from Satellite Gravimetry to Study Meteorological Excitations of the Chandler Wobble for an Earth Model with Frequency-dependent Responses

    Science.gov (United States)

    Chen, W.; Li, J.; Ray, J.; Cheng, M.; Chen, J.; Wilson, C. R.

    2015-12-01

    What maintain(s) the damping Chandler wobble (CW) is still under debate though meteorological excitations are now more preferred. However, controversial results have been obtained: Gross [2000] and Gross et al. [2003] suggested oceanic processes are more efficient to excite the CW than atmospheric ones during 1980 - 2000. Brzezinski and Nastula [2002] concluded that their contributions are almost the same, and they can only provide ~80% of the power needed to maintain the CW observed during 1985 - 1996. Polar motion excitations involve not only the perturbations within the Earth system (namely, mass redistributions and motions of relative to the mantle), but also the Earth's responses to those perturbations (namely, the rheology of the Earth). Chen et al. [2013a] developed an improved theory for polar motion excitation taking into account the Earth's frequency-dependent responses, of which the polar motion transfer functions are ~10% higher than those of previous theories around the CW band. Chen et al. [2013b] compared the geophysical excitations derived from various global atmospheric, oceanic and hydrological models (NCEP, ECCO, ERA40, ERAinterim and ECMWF operational products), and found significant and broad-band discrepancies for models released by different institutes. In addition, the atmosphere, ocean and hydrology models are usually developed in a somewhat independent manner and thus the global (atmospheric, oceanic and hydrological) mass is not conserved [e.g., Yan and Chao, 2012]. Therefore, the matter-term excitations estimated from those models are problematic. In one word, it is unlikely to obtain reliable conclusions on meteorological excitations of CW on the basis of the original meteorological models. Satellite gravimetry can measure mass transportations caused by atmospheric, oceanic and hydrological processes much more accurately than those provided by the original meteorological models, and can force the global (atmospheric, oceanic and

  11. New evolution equations for the joint response-excitation probability density function of stochastic solutions to first-order nonlinear PDEs

    Science.gov (United States)

    Venturi, D.; Karniadakis, G. E.

    2012-08-01

    By using functional integral methods we determine new evolution equations satisfied by the joint response-excitation probability density function (PDF) associated with the stochastic solution to first-order nonlinear partial differential equations (PDEs). The theory is presented for both fully nonlinear and for quasilinear scalar PDEs subject to random boundary conditions, random initial conditions or random forcing terms. Particular applications are discussed for the classical linear and nonlinear advection equations and for the advection-reaction equation. By using a Fourier-Galerkin spectral method we obtain numerical solutions of the proposed response-excitation PDF equations. These numerical solutions are compared against those obtained by using more conventional statistical approaches such as probabilistic collocation and multi-element probabilistic collocation methods. It is found that the response-excitation approach yields accurate predictions of the statistical properties of the system. In addition, it allows to directly ascertain the tails of probabilistic distributions, thus facilitating the assessment of rare events and associated risks. The computational cost of the response-excitation method is order magnitudes smaller than the one of more conventional statistical approaches if the PDE is subject to high-dimensional random boundary or initial conditions. The question of high-dimensionality for evolution equations involving multidimensional joint response-excitation PDFs is also addressed.

  12. Excited State Contributions to the Heavy Baryon Fragmentation Functions in a Quark-Diquark Model

    CERN Document Server

    Adamov, A D; Goldstein, Gary R.

    2001-01-01

    Spin dependent fragmentation functions for heavy flavor quarks to fragment into heavy baryons are calculated in a quark-diquark model. The production of intermediate spin 1/2 and 3/2 excited states is explicity included. The resulting $\\Lambda_b$ production rate and polarization at LEP energies are in agreement with experiment. The $\\Lambda_c$ and $\\Xi_c$ functions are also obtained. The spin independent $f_1(z)$ is compared to data. The integrated values for production rates agree with the data.

  13. VUV spectroscopy of pure LiCaAlF6 crystals

    International Nuclear Information System (INIS)

    Kirm, M.; True, M.; Vielhauer, S.; Zimmerer, G.; Shiran, N.V.; Shpinkov, I.; Spassky, D.; Shimamura, K.; Ichinose, N.

    2005-01-01

    Reflection, excitation and luminescence spectra of as-grown and X-ray irradiated high-purity LiCaAlF 6 crystals were studied in the temperature range of 10-300 K using synchrotron radiation in VUV. The intrinsic luminescence of samples at 10 K consists of a non-elementary broad band with maximum at 4.4 eV under excitation at 11.45 eV. It is ascribed to the radiative decay of self-trapped excitons. The energy gap is estimated to be 12.65 eV in LiCaAlF 6 . Under interband excitation a red shift of luminescence was observed. The electron-hole recombination leads to the emission peaking at 3.7 eV. The excitation processes and origin of overlapping emissions of LiCaAlF 6 are discussed

  14. Excitation system testing in HPP 'Uvac'

    Directory of Open Access Journals (Sweden)

    Milojčić Nemanja

    2011-01-01

    Full Text Available The excitation system of hydro unit in HPP 'Uvac' and results of testings of excitation system performed for achieving of unit's mathematical model are presented in this paper. Description of excitation system equipment, parameters of regulators and results obtained after testings are presented. The presented results showed that the regulators are properly adjusted and that the excitation system is completely functional and reliable.

  15. Electron energy distribution functions and thermalization times in methane and in argon--methane mixtures: An effect of vibrational excitation processes

    International Nuclear Information System (INIS)

    Krajcar-Bronic, I.; Kimura, M.

    1995-01-01

    Electron thermalization in methane and argon--methane mixtures is studied by using the Boltzmann equation. The presence of low-lying vibrational excited states in methane significantly changes electron energy distribution functions and relaxation times. We found that (i) the mean electron energy just below the first vibrational excited state is reached faster by 1000 times when the vibrational states are taken into account, and (ii) electron energy distribution functions have distinct peaks at energy intervals equal to the vibrational threshold energies. Both these effects are due to large vibrational stopping cross section. The thermalization time in mixtures of argon--methane (without vibrational states) smoothly changes as the mixture composition varies, and no significant difference in the electron energy distribution function is observed. When the vibrational excited states are taken into account, thermalization is almost completely defined by CH 4 , even at very low fractional concentrations of CH 4 . The sensitivity of the electron energy distribution functions on the momentum transfer cross sections used in calculation on the thermalization is discussed. copyright 1995 American Institute of Physics

  16. Separation of reaction mechanisms at low energy. Study of the reactions: {sup 27}Al(d,p) {sup 28}Al, {sup 24}Mg(d,p) {sup 25}Mg, and {sup 24}Mg(d, {alpha}) {sup 22}Na; Sur la separation des mecanismes de reaction a basse energie. Etude des reactions: {sup 27}Al(d,p) {sup 28}Al, {sup 24}Mg(d,p) {sup 25}Mg, et {sup 24}Mg(d, {alpha}) {sup 22}Na

    Energy Technology Data Exchange (ETDEWEB)

    Mermaz, M. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1966-06-01

    The two sets of angular distributions of (d,p) reactions on Al and Mg, measured between 2 and 6 MeV, have given the possibility to test, in analysing the statistical fluctuations of cross-section, the validity of the separation of their mean values in two parts, one 'direct', another given by the statistical mechanism. With the same method of analysis we have studied excitation functions for several alpha groups of the reaction {sup 24}Mg(d, {alpha}) {sup 22}Na and given an evidence for an intermediate structure for the alpha channel leading to the 3. excited state of {sup 22}Na. The angular distribution of the wide resonance at 15.9 MeV in {sup 26}Al has been obtained. (author) [French] Les deux ensembles de distributions angulaires des reactions (d,p) sur Al et Mg, mesures entre 2 et 6 MeV, nous ont permis, en analysant les fluctuations statistiques de sections efficaces, de verifier la possibilite de la separation de leurs valeurs moyennes en deux composantes: l'une 'directe', l'autre due au mecanisme statistique. Avec la meme methode d'analyse nous avons etudie les fonctions d'excitation des premiers groupes alpha de la reaction {sup 24}Mg(d,{alpha}) {sup 22}Na et mis en evidence une structure intermediaire pour la voie de reaction aboutissant au 3eme niveau de {sup 22}Na. Nous avons obtenu la distribution angulaire de la resonance large situee a une energie d'excitation de 15,9 MeV dans {sup 26}Al. (auteur)

  17. Separation of reaction mechanisms at low energy. Study of the reactions: {sup 27}Al(d,p) {sup 28}Al, {sup 24}Mg(d,p) {sup 25}Mg, and {sup 24}Mg(d, {alpha}) {sup 22}Na; Sur la separation des mecanismes de reaction a basse energie. Etude des reactions: {sup 27}Al(d,p) {sup 28}Al, {sup 24}Mg(d,p) {sup 25}Mg, et {sup 24}Mg(d, {alpha}) {sup 22}Na

    Energy Technology Data Exchange (ETDEWEB)

    Mermaz, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1966-06-01

    The two sets of angular distributions of (d,p) reactions on Al and Mg, measured between 2 and 6 MeV, have given the possibility to test, in analysing the statistical fluctuations of cross-section, the validity of the separation of their mean values in two parts, one 'direct', another given by the statistical mechanism. With the same method of analysis we have studied excitation functions for several alpha groups of the reaction {sup 24}Mg(d, {alpha}) {sup 22}Na and given an evidence for an intermediate structure for the alpha channel leading to the 3. excited state of {sup 22}Na. The angular distribution of the wide resonance at 15.9 MeV in {sup 26}Al has been obtained. (author) [French] Les deux ensembles de distributions angulaires des reactions (d,p) sur Al et Mg, mesures entre 2 et 6 MeV, nous ont permis, en analysant les fluctuations statistiques de sections efficaces, de verifier la possibilite de la separation de leurs valeurs moyennes en deux composantes: l'une 'directe', l'autre due au mecanisme statistique. Avec la meme methode d'analyse nous avons etudie les fonctions d'excitation des premiers groupes alpha de la reaction {sup 24}Mg(d,{alpha}) {sup 22}Na et mis en evidence une structure intermediaire pour la voie de reaction aboutissant au 3eme niveau de {sup 22}Na. Nous avons obtenu la distribution angulaire de la resonance large situee a une energie d'excitation de 15,9 MeV dans {sup 26}Al. (auteur)

  18. A work function study of ultra-thin alumina formation on NiAl(1 1 0) surface

    International Nuclear Information System (INIS)

    Song, Weijie; Yoshitake, Michiko

    2005-01-01

    We have investigated the oxidation of NiAl(1 1 0) surface at 1020 and 670 K using ultra-violet photoelectron spectroscopy, Kelvin probe, X-ray photoelectron spectroscopy and low-energy electron diffraction. The work function change during oxidation was monitored in situ as a function of oxygen exposure. It was observed that the work function decreased by 0.6 eV after 7.9 A of well-ordered Al 2 O 3 formation on NiAl(1 1 0) at 1020 K. The formation of the interfacial dipole layer was the main factor that determined the work function and XPS binding energy shifts of Al 2 O 3 energy levels. The work function decreased by 0.8 eV after 5.1 A of amorphous Al 2 O 3 formation at 670 K. The oxide layer structure was one of Key factors that determined the work function of the Al 2 O 3 /NiAl(1 1 0) system

  19. Quasi-particle excitations and dynamical structure function of trapped Bose-condensates in the WKB approximation

    OpenAIRE

    Csordás, András; Graham, Robert; Szépfalusy, Péter

    1997-01-01

    The Bogoliubov equations of the quasi-particle excitations in a weakly interacting trapped Bose-condensate are solved in the WKB approximation in an isotropic harmonic trap, determining the discrete quasi-particle energies and wave functions by torus (Bohr-Sommerfeld) quantization of the integrable classical quasi-particle dynamics. The results are used to calculate the position and strengths of the peaks in the dynamic structure function which can be observed by off-resonance inelastic light...

  20. A note on calm excited states of inflation

    International Nuclear Information System (INIS)

    Ashoorioon, Amjad; Shiu, Gary

    2011-01-01

    We identify a two-parameter family of excited states within slow-roll inflation for which either the corrections to the two-point function or the characteristic signatures of excited states in the three-point function — i.e. the enhancement for the flattened momenta configurations– are absent. These excited states may nonetheless violate the adiabaticity condition maximally. We dub these initial states of inflation calm excited states. We show that these two sets do not intersect, i.e., those that leave the power-spectrum invariant can be distinguished from their bispectra, and vice versa. The same set of calm excited states that leave the two-point function invariant for slow-roll inflation, do the same task for DBI inflation. However, at the level of three-point function, the calm excited states whose flattened configuration signature is absent for slow-roll inflation, will lead to an enhancement for DBI inflation generally, although the signature is smaller than what suggested by earlier analysis. This example also illustrates that imposing the Wronskian condition is important for obtaining a correct estimate of the non-Gaussian signatures

  1. Production and stability of radiation-induced defects in MgAl2O4 under electronic excitation

    International Nuclear Information System (INIS)

    Yasuda, K.; Yamamoto, T.; Seki, S.; Shiiyama, K.; Matsumura, S.

    2008-01-01

    This paper investigates the formation process of radiation-induced defects in magnesium aluminate spinel and their stability using transmission electron microscopy, with emphasis on the effects of electronic excitation. Small interstitial-type dislocation loops disappeared under electron-induced electronic excitation. The elimination rate of the loops was found to be one order higher than for α-alumina. The disappearance of dislocation loops by a dissociation mechanism into isolated interstitials is discussed through analysis of the growth-and-shrink process of the loops. HARECXS analysis on cross section specimens irradiated with 350 MeV Au ions has shown the progress of cation disordering along ion tracks to be a function of electronic stopping power, (dE/dx) e . Cations were found to exchange their sites toward a random configuration. Such disordering appears from (dE/dx) e = 10 keV/nm, and increases in size with increasing (dE/dx) e to reach nearly 10 nm in diameter at 30 keV/nm, under an assumption of a fully disordered configuration

  2. Tight-binding approximations to time-dependent density functional theory — A fast approach for the calculation of electronically excited states

    Energy Technology Data Exchange (ETDEWEB)

    Rüger, Robert, E-mail: rueger@scm.com [Scientific Computing & Modelling NV, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Department of Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Linnéstr. 2, 04103 Leipzig (Germany); Lenthe, Erik van [Scientific Computing & Modelling NV, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Heine, Thomas [Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Linnéstr. 2, 04103 Leipzig (Germany); Visscher, Lucas [Department of Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands)

    2016-05-14

    We propose a new method of calculating electronically excited states that combines a density functional theory based ground state calculation with a linear response treatment that employs approximations used in the time-dependent density functional based tight binding (TD-DFTB) approach. The new method termed time-dependent density functional theory TD-DFT+TB does not rely on the DFTB parametrization and is therefore applicable to systems involving all combinations of elements. We show that the new method yields UV/Vis absorption spectra that are in excellent agreement with computationally much more expensive TD-DFT calculations. Errors in vertical excitation energies are reduced by a factor of two compared to TD-DFTB.

  3. Investigating the contribution of VAPB/ALS8 loss of function in amyotrophic lateral sclerosis.

    Science.gov (United States)

    Kabashi, Edor; El Oussini, Hajer; Bercier, Valérie; Gros-Louis, François; Valdmanis, Paul N; McDearmid, Jonathan; Mejier, Inge A; Dion, Patrick A; Dupre, Nicolas; Hollinger, David; Sinniger, Jérome; Dirrig-Grosch, Sylvie; Camu, William; Meininger, Vincent; Loeffler, Jean-Philippe; René, Frédérique; Drapeau, Pierre; Rouleau, Guy A; Dupuis, Luc

    2013-06-15

    The mutations P56S and T46I in the gene encoding vesicle-associated membrane protein-associated protein B/C (VAPB) cause ALS8, a familial form of amyotrophic lateral sclerosis (ALS). Overexpression of mutant forms of VAPB leads to cytosolic aggregates, suggesting a gain of function of the mutant protein. However, recent work suggested that the loss of VAPB function could be the major mechanism leading to ALS8. Here, we used multiple genetic and experimental approaches to study whether VAPB loss of function might be sufficient to trigger motor neuron degeneration. In order to identify additional ALS-associated VAPB mutations, we screened the entire VAPB gene in a cohort of ALS patients and detected two mutations (A145V and S160Δ). To directly address the contribution of VAPB loss of function in ALS, we generated zebrafish and mouse models with either a decreased or a complete loss of Vapb expression. Vapb knockdown in zebrafish led to swimming deficits. Mice knocked-out for Vapb showed mild motor deficits after 18 months of age yet had innervated neuromuscular junctions (NMJs). Importantly, overexpression of VAPB mutations were unable to rescue the motor deficit caused by Vapb knockdown in zebrafish and failed to cause a toxic gain-of-function defect on their own. Thus, Vapb loss of function weakens the motor system of vertebrate animal models but is on its own unable to lead to a complete ALS phenotype. Our findings are consistent with the notion that VAPB mutations constitute a risk factor for motor neuron disease through a loss of VAPB function.

  4. Localized excitations and the geometry of the 1nπ* excited states of pyrazine

    International Nuclear Information System (INIS)

    Kleier, D.A.; Martin, R.L.; Wadt, W.R.; Moomaw, W.R.

    1982-01-01

    Previous theoretical work has shown that the lowest excited singlet state of pyrazine, the π* 1 B 3 u state, is best described in terms of interacting excitations localized on each nitrogen. The present work refines the localized excitation model and considers its implications for the geometry of the 1 B 3 u state. Hartree-Fock calculations show that the best single configuration description of the nπ* state has broken ( 1 B 1 ) symmetry with the excitation strongly localized at one end of the molcule. If the symmetry-restricted hf result is used for reference, this localization describes an important correlation effect. The excited-state geometry was probed using configuration interaction wave functions based on the symmetry-restricted orbitals, as well as properly symmetrized ''valance-bond'' wave functions based on the broken symmetry solutions. Both descriptions lead to a very flat potential for a b/sub 1u/ vibrational mode. This mode reduces the molecular geometry from D/sub 2h/ to C/sub 2v/. We present spectroscopic evidence of our own and of other workers which is consistent with such a flat potential

  5. Photoionization of excited atoms and ions: recent progress and future prospects

    International Nuclear Information System (INIS)

    Wuilleumier, F.J.

    2004-01-01

    Full text: Photoionization of atoms in the ground state using synchrotron radiation (SR) has contributed extensively to a better knowledge of atomic structure and of its dynamical response to photon interaction. Since the st use in 1963 of an SR facility in the ultraviolet to investigate autoionizing states in helium, each improvement in the performance of available SR beams has allowed to go deeper and deeper into the understanding of isolated atomic systems. The study of very dilute targets such as atoms prepared in selected excited states or multiply-charged ions is more challenging. Using dye lasers, the excited state can be prepared with a well defined set of quantum numbers and SR photoionization of this prepared state can be studied as a function of photon energy and emission-angle. For ions, the equivalent ionic densities achievable in a merged-beam experiment do not exceed, usually, 10 6 cm -3 , i.e. they are lower by 5 orders of magnitude than for atoms in the ground state. This explains why the response of ionized matter to photoionizing radiation has been largely unexplored until recently. Theoretical methods, still to be tested by experimental measurements, have been developed to model stellar atmospheres as well as laboratory plasmas. After the pioneering experiments using plasma discharge technology and laser-produced plasmas to measure photoionization in excited states and ions, the use of SR has allowed to dramatically improve experiments for excited- and ionic-species, starting with the first measurements of electron spectra from photoionization of laser-excited sodium atoms, and with the first determination of doubly-charged ion rate resulting from photoionization of singly-charged ions in merged beam experiments. Over the past 5 years, photoionization of singly- and multiply-charged ions using the merged beam technique has been intensively performed at four SR facilities (ASTRID, Spring-8, the Advanced Light Source (ALS), and Super-ACO), all of

  6. ALS-associated mutant FUS induces selective motor neuron degeneration through toxic gain of function.

    Science.gov (United States)

    Sharma, Aarti; Lyashchenko, Alexander K; Lu, Lei; Nasrabady, Sara Ebrahimi; Elmaleh, Margot; Mendelsohn, Monica; Nemes, Adriana; Tapia, Juan Carlos; Mentis, George Z; Shneider, Neil A

    2016-02-04

    Mutations in FUS cause amyotrophic lateral sclerosis (ALS), including some of the most aggressive, juvenile-onset forms of the disease. FUS loss-of-function and toxic gain-of-function mechanisms have been proposed to explain how mutant FUS leads to motor neuron degeneration, but neither has been firmly established in the pathogenesis of ALS. Here we characterize a series of transgenic FUS mouse lines that manifest progressive, mutant-dependent motor neuron degeneration preceded by early, structural and functional abnormalities at the neuromuscular junction. A novel, conditional FUS knockout mutant reveals that postnatal elimination of FUS has no effect on motor neuron survival or function. Moreover, endogenous FUS does not contribute to the onset of the ALS phenotype induced by mutant FUS. These findings demonstrate that FUS-dependent motor degeneration is not due to loss of FUS function, but to the gain of toxic properties conferred by ALS mutations.

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

    Science.gov (United States)

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

    2012-12-01

    .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

  8. Dynamic polarization by coulomb excitation in the closed formalism for heavy ion scattering

    International Nuclear Information System (INIS)

    Frahn, W.E.; Hill, T.F.

    1978-01-01

    We present a closed-form treatment of the effects of dynamic polarization by Coulomb excitation on the elastic scattering of deformed heavy ions. We assume that this interaction can be represented by an absorptive polarization potential. The relatively long range of this potential entails a relatively slow variation of the associated reflection function in l-space. This feature leads to a simple generalization of the closed formula derived previously for the elastic scattering amplitude of spherical heavy nuclei. We use both the polarization potential of Love et al. and the recent improved potential of Baltz et al. to derive explicit expressions for the associated reflection functions in a Coulomb-distorted eikonal approximation. As an example we analyze the elastic scattering of 90-MeV 18 O ions by 184 W and show that both results give a quantitative description of the data. (orig.) [de

  9. Understanding the effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers

    Science.gov (United States)

    Cocchi, Caterina; Draxl, Claudia

    2017-10-01

    In a first-principles study based on many-body perturbation theory, we analyze the optical excitations of azobenzene-functionalized self-assembled monolayers (SAMs) with increasing packing density and different terminations, considering for comparison the corresponding gas-phase molecules and dimers. Intermolecular coupling increases with the density of the chromophores independently of the functional groups. The intense π → π* resonance that triggers photo-isomerization is present in the spectra of isolated dimers and diluted SAMs, but it is almost completely washed out in tightly packed architectures. Intermolecular coupling is partially inhibited by mixing differently functionalized azobenzene derivatives, in particular when large groups are involved. In this way, the excitation band inducing the photo-isomerization process is partially preserved and the effects of dense packing partly counterbalanced. Our results suggest that a tailored design of azobenzene-functionalized SAMs which optimizes the interplay between the packing density of the chromophores and their termination can lead to significant improvements in the photo-switching efficiency of these systems.

  10. Multi-functional smart aggregate-based structural health monitoring of circular reinforced concrete columns subjected to seismic excitations

    International Nuclear Information System (INIS)

    Gu, Haichang; Song, Gangbing; Moslehy, Yashar; Mo, Y L; Sanders, David

    2010-01-01

    In this paper, a recently developed multi-functional piezoceramic-based device, named the smart aggregate, is used for the health monitoring of concrete columns subjected to shake table excitations. Two circular reinforced concrete columns instrumented with smart aggregates were fabricated and tested with a recorded seismic excitation at the structural laboratory at the University of Nevada—Reno. In the tests, the smart aggregates were used to perform multiple monitoring functions that included dynamic seismic response detection, structural health monitoring and white noise response detection. In the proposed health monitoring approach, a damage index was developed on the basis of the comparison of the transfer function with the baseline function obtained in the healthy state. A sensor-history damage index matrix is developed to monitor the damage evolution process. Experimental results showed that the acceleration level can be evaluated from the amplitude of the dynamic seismic response; the damage statuses at different locations were evaluated using a damage index matrix; the first modal frequency obtained from the white noise response decreased with increase of the damage severity. The proposed multi-functional smart aggregates have great potential for use in the structural health monitoring of large-scale concrete structures

  11. Near UV-Blue Excitable Green-Emitting Nanocrystalline Oxide

    Directory of Open Access Journals (Sweden)

    C. E. Rodríguez-García

    2011-01-01

    Full Text Available Green-emitting Eu-activated powders were produced by a two-stage method consisting of pressure-assisted combustion synthesis and postannealing in ammonia. The as-synthesized powders exhibited a red photoluminescence (PL peak located at =616 nm when excited with =395 nm UV. This emission peak corresponds to the 5D0→7F2 transition in Eu3+. After annealing in ammonia, the PL emission changed to an intense broad-band peak centered at =500 nm, most likely produced by 4f65d1→4f7 electronic transitions in Eu2+. This green-emitting phosphor has excitation band in the near UV-blue region (=300–450 nm. X-ray diffraction analysis reveals mainly the orthorhombic EuAlO3 and Al2O3 phases. Transmission electron microscopy observations showed that the grains are formed by faceted nanocrystals (~4 nm of polygonal shape. The excellent excitation and emission properties make these powders very promising to be used as phosphors in UV solid-state diodes coupled to activate white-emitting lamps.

  12. Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions.

    Science.gov (United States)

    Li, Zhendong; Liu, Wenjian

    2016-06-14

    Compared with closed-shell systems, open-shell systems place three additional challenges to time-dependent density functional theory (TD-DFT) for electronically excited states: (a) the spin-contamination problem is a serious issue; (b) the exchange-correlation (XC) kernel may be numerically instable; and (c) the single-determinant description of open-shell ground states readily becomes energetically instable. Confined to flip-up single excitations, the spin-contamination problem can largely be avoided by using the spin-flip TD-DFT (SF-TD-DFT) formalism, provided that a noncollinear XC kernel is employed. As for the numerical instabilities associated with such a kernel, only an ad hoc scheme has been proposed so far, viz., the ALDA0 kernel, which amounts to setting the divergent components (arising from density gradients and kinetic energy density) simply to zero. The ground-state instability problem can effectively be avoided by introducing the Tamm-Dancoff approximation (TDA) to TD-DFT. Therefore, on a general basis, the SF-TDA/ALDA0 Ansatz is so far the only promising means within the TD-DFT framework for flip-up single excitations of open-shell systems. To assess systematically the performance of SF-TDA/ALDA0, in total 61 low-lying quartet excited states of the benchmark set of 11 small radicals [J. Chem. Theory Comput. 2016, 12, 238] are investigated with various XC functionals. Taking the MRCISD+Q (multireference configuration interaction with singles and doubles plus the Davidson correction) results as benchmark, it is found that the mean absolute errors of SF-TDA/ALDA0 with the SAOP (statistical averaging of model orbital potentials), global hybrid, and range-separated hybrid functionals are in the range of 0.2-0.4 eV. This is in line not only with the typical accuracy of TD-DFT for singlet and triplet excited states of closed-shell systems but also with the gross accuracy of spin-adapted TD-DFT for spin-conserving excited states of open-shell systems.

  13. Dysregulation of chemokine receptor expression and function in leukocytes from ALS patients.

    Science.gov (United States)

    Perner, Caroline; Perner, Florian; Stubendorff, Beatrice; Förster, Martin; Witte, Otto W; Heidel, Florian H; Prell, Tino; Grosskreutz, Julian

    2018-03-28

    Amyotrophic lateral sclerosis (ALS) is rapidly progressive adult-onset motor neuron disease characterized by the neurodegeneration of both upper and lower motor neurons in the cortex and the spinal cord; the majority of patients succumb to respiratory failure. Although the etiology is not yet fully understood, there is compelling evidence that ALS is a multi-systemic disorder, with peripheral inflammation critically contributing to the disease process. However, the full extent and nature of this immunological dysregulation remains to be established, particularly within circulating blood cells. Therefore, the aim of the present study was to identify dysregulated inflammatory molecules in peripheral blood cells of ALS patients and analyze for functional consequences of the observed findings. To this end, we employed flow cytometry-based screening to quantify the surface expression of major chemokine receptors and integrins. A significantly increased expression of CXCR3, CXCR4, CCL2, and CCL5 was observed on T cells in ALS patients compared to healthy controls. Intriguingly, the expression was even more pronounced in patients with a slow progressive phenotype. To further investigate the functional consequences of this altered surface expression, we used a modified Boyden chamber assay to measure chemotaxis in ALS patient-derived lymphocytes. Interestingly, chemoattraction with the CXCR3-Ligand IP10 led to upregulated migratory behavior of ALS lymphocytes compared to healthy controls. Taken together, our data provides evidence for a functional dysregulation of IP10-directed chemotaxis in peripheral blood cells in ALS patients. However, whether the chemokine itself or its receptor CXCR3, or both, could serve as potential therapeutic targets in ALS requires further investigations.

  14. Hole trapping at Al impurities in silica: A challenge for density functional theories

    DEFF Research Database (Denmark)

    Lægsgaard, Jesper; Stokbro, Kurt

    2001-01-01

    The atomic geometry and electronic structure around a neutral substitutional Al impurity in silica is investigated using either the unrestricted Hartree-Fock (UHF) approximation, or Beckes three-parameter hybrid functional (B3LYP). It is found that the B3LYP functional fails to describe...... the structural distortions around the Al impurity, while the UHF results are consistent with experimental information. We argue that the failure of the B3LYP functional is caused by the incomplete self-interaction cancellation usually present in density functional theories....

  15. Frenkel and Charge-Transfer Excitations in Donor-acceptor Complexes from Many-Body Green's Functions Theory.

    Science.gov (United States)

    Baumeier, Björn; Andrienko, Denis; Rohlfing, Michael

    2012-08-14

    Excited states of donor-acceptor dimers are studied using many-body Green's functions theory within the GW approximation and the Bethe-Salpeter equation. For a series of prototypical small-molecule based pairs, this method predicts energies of local Frenkel and intermolecular charge-transfer excitations with the accuracy of tens of meV. Application to larger systems is possible and allowed us to analyze energy levels and binding energies of excitons in representative dimers of dicyanovinyl-substituted quarterthiophene and fullerene, a donor-acceptor pair used in state of the art organic solar cells. In these dimers, the transition from Frenkel to charge transfer excitons is endothermic and the binding energy of charge transfer excitons is still of the order of 1.5-2 eV. Hence, even such an accurate dimer-based description does not yield internal energetics favorable for the generation of free charges either by thermal energy or an external electric field. These results confirm that, for qualitative predictions of solar cell functionality, accounting for the explicit molecular environment is as important as the accurate knowledge of internal dimer energies.

  16. Energy dependence of the ionization of highly excited atoms by collisions with excited atoms

    International Nuclear Information System (INIS)

    Shirai, T.; Nakai, Y.; Nakamura, H.

    1979-01-01

    Approximate analytical expressions are derived for the ionization cross sections in the high- and low-collision-energy limits using the improved impulse approximation based on the assumption that the electron-atom inelastic-scattering amplitude is a function only of the momentum transfer. Both cases of simultaneous excitation and de-excitation of one of the atoms are discussed. The formulas are applied to the collisions between two excited hydrogen atoms and are found very useful for estimating the cross sections in the wide range of collisions energies

  17. Fluorescence and afterglow of Ca2Sn2Al2O9:Mn2+

    Science.gov (United States)

    Takemoto, Minoru; Iseki, Takahiro

    2018-03-01

    By using a polymerized complex method, we synthesized manganese (Mn)-doped Ca2Sn2Al2O9, which exhibits yellow fluorescence and afterglow at room temperature when excited by UV radiation. The material emits a broad, featureless fluorescence band centered at 564 nm, which we attribute to the presence of Mn2+ ions. The afterglow decay is well fit by a power-law function, rather than an exponential function. In addition, thermoluminescence analyses demonstrate that two different types of electron traps form in this material. Based on experimental results, we conclude that the fluorescence and afterglow both result from thermally assisted tunneling, in which trapped electrons are thermally excited to higher-level traps and subsequently tunnel to recombination centers.

  18. Extension of the excitation functions of deuteron induced reactions on {sup nat}Sn up to 50 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Hermanne, A., E-mail: aherman@vub.ac.be [Cyclotron Laboratory, Vrije Universiteit Brussel, B1050 Brussels (Belgium); Tárkányi, F.; Ditrói, F.; Takács, S. [Institute of Nuclear Research of the Hungarian Academy of Sciences, H4026 Debrecen (Hungary)

    2017-01-15

    Using the stacked-foil activation technique, cross-sections of deuteron induced reactions on natural Sn targets were determined up to 50 MeV. Excitation functions are reported for the product nuclides {sup 116m}Sb, {sup 117}Sb, {sup 118m}Sb, {sup 120m}Sb {sup 122m+g}Sb, {sup 124m+g}Sb, {sup 110}Sn(cum), {sup 113m+g}Sn(cum), {sup 117m}Sn, {sup 110m}In(cum), {sup 110g}In, {sup 111m+g}In(cum), {sup 113m}In, {sup 114m}In {sup 115m}In. Comparison with earlier published data at lower energy is discussed. For all excitation functions a theoretical calculation using the TALYS 1.6 (on-line TENDL-2015 library) code is shown.

  19. A scalable piezoelectric impulse-excited energy harvester for human body excitation

    International Nuclear Information System (INIS)

    Pillatsch, P; Yeatman, E M; Holmes, A S

    2012-01-01

    Harvesting energy from low-frequency and non-harmonic excitations typical of human motion presents specific challenges. While resonant devices do have an advantage in environments where the excitation frequency is constant, and while they can make use of the entire proof mass travel range in the case of excitation amplitudes that are smaller than the internal displacement limit, they are not suitable for body applications since the frequencies are random and the amplitudes tend to be larger than the device size. In this paper a piezoelectric, impulse-excited approach is presented. A cylindrical proof mass actuates an array of piezoelectric bi-morph beams through magnetic attraction. After the initial excitation these transducers are left to vibrate at their natural frequency. This increases the operational frequency range as well as the electromechanical coupling. The principle of impulse excitation is discussed and a centimetre-scale functional model is introduced as a proof of concept. The obtained data show the influence of varying the frequency, acceleration and proof mass. Finally, a commercially available integrated circuit for voltage regulation is tested. At a frequency of 2 Hz and an acceleration of 2.7 m s −2 a maximal power output of 2.1 mW was achieved. (paper)

  20. Natural excitation orbitals from linear response theories : Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory

    NARCIS (Netherlands)

    Van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

    2017-01-01

    Straightforward interpretation of excitations is possible if they can be described as simple single orbital-to-orbital (or double, etc.) transitions. In linear response time-dependent density functional theory (LR-TDDFT), the (ground state) Kohn-Sham orbitals prove to be such an orbital basis. In

  1. Single-phased CaAl2Si2O8:Tm3+, Dy3+ white-light phosphors under ultraviolet excitation

    International Nuclear Information System (INIS)

    Yang, Penghui; Yu, Xue; Xu, Xuhui; Jiang, Tingming; Yu, Hongling; Zhou, Dacheng; Yang, Zhengwen; Song, Zhiguo; Qiu, Jianbei

    2013-01-01

    A novel white-light-emitting phosphor CaAl 2 Si 2 O 8 :Tm, Dy was synthesized in ambient atmosphere by solid-state reaction. The energy transfer from Tm 3+ to Dy 3+ ions via a dipole–quadrupole reaction was observed and investigated. Upon UV excitation, white light emission was achieved by integrating a blue emission band located at 455 nm and an orange one located at 574 nm attributed to Tm 3+ and Dy 3+ ions, respectively. In addition, the energy-transfer efficiency and critical distance were calculated. Results suggested that the phosphor might be promising as a single-phased white-light-emitting phosphor for UV white-light LED. - Graphical abstract: The results indicate the existence of energy transfer from Tm 3+ to Dy 3+ . By tuning the concentration of Dy 3+ , single-phased white light can be realized. - Highlights: ► Energy transfer from Tm 3+ to Dy 3+ was investigated. ► Color tunable from blue to white can be achieved. ► White light can be realized in CaAl 2 Si 2 O 8 :Tm 3+ , Dy 3+ phosphor

  2. Surface modification of ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} aiming to obtaining ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} hybrid for use as a biosensor; Modificacao da superficie do ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} visando a obtencao do hibrido ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} para aplicacao como biossensor

    Energy Technology Data Exchange (ETDEWEB)

    Araujo, P.M.A.G.; Santos, P.T.A.; Costa, A.C.F.M., E-mail: pascally.guerra@gmail.com, E-mail: polyanaquimica@yahoo.com.br, E-mail: ana.costa@ufcg.edu.br [Universidade Federal de Campina Grande (UFCG), PB (Brazil); Junior, S.A.; Viana, R. S., E-mail: salvesjr@ufpe.br, E-mail: rodrigosilva.viana@yahoo.com.br [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil)

    2017-01-15

    This study aimed to investigate the influence of surface modification of ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} nanoparticles for obtaining hybrid ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} for application as a biosensor. Initially ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4} nanoparticles were synthesized by combustion reaction and, subsequently, their surfaces were modified with silane agent. The samples were characterized by X-ray diffraction, scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy, and excitation and emission spectroscopy. The results showed formation of ZnAl{sub 2}O{sub 4} as the major phase. By SEM, hard agglomerates, irregularly shaped in the form of plaques, with the presence of few irregular and variables pores were observed. The surface modification was confirmed by FTIR through the silanol and siloxane groups. The excitation and emission spectra revealed the presence of a broadband of ZnAl{sub 2} O{sub 4} matrix, and fine and intense transitions from europium ion arising from doping of non-stoichiometric ZnAl{sub 2}O{sub 4} with the europium. From the results of emission and excitation, it was observed that the luminescence of ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} hybrid presented a small decrease in relation to the ZnAl{sub 1.9}Eu0.0{sub 5}O{sub 4} nanoparticles. This decrease was almost insignificant in relation to the benefits of silanization caused by the introduction of functional groups that promote combination of hybrid ZnAl{sub 1.9}Eu{sub 0.05}O{sub 4}/SiO{sub 2} with biomolecules, being this promising for application as a biosensor used in the biomedical field for the diagnosis and treatment of diseases. (author)

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

    Science.gov (United States)

    Peter, Simon; Leine, Remco I.

    2017-11-01

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

  4. Excitation functions and production of arsenic radioisotopes for environmental toxicology and biomedical purposes

    International Nuclear Information System (INIS)

    Basile, D.; Birattari, C.; Bonard, M.; Salomone, A.; Goetz, L.; Sabbioni, E.

    1981-01-01

    Many arsenic radionuclides have come to be used as tracers in biology and in the study of environmental pollution of both water and soil. In nuclear medicine, radioactive 74 As has been employed as a positron emitter for the localization of brain tumors, cerebral occlusive vascular lesions, arterious-venous malformations, etc. The aim of the work described was to study the excitation functions for the production of the arsenic radioisotopes from targets of natural germanium via nuclear reactions (p, xn). (author)

  5. Ground and excited state absorption of Ni{sup 2+} ions in MgAl{sub 2}O{sub 4}: Crystal field analysis

    Energy Technology Data Exchange (ETDEWEB)

    Brik, M.G. [Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Sakyo-ku, Kyoto 606-8103 (Japan) and Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337 (Japan)]. E-mail: brik@fukui.kyoto-u.ac.jp; Avram, N.M. [Department of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Avram, C.N. [Department of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Rudowicz, C. [Institute of Physics, Szczecin University of Technology, Al. Piastow 17, 70-310 Szczecin (Poland); Yeung, Y.Y. [Department of Mathematics, Science, Social Sciences and Technology, The Hong Kong Institute of Education, 10 Lo Ping Road, Tai Po, New Territories (Hong Kong); Gnutek, P. [Institute of Physics, Szczecin University of Technology, Al. Piastow 17, 70-310 Szczecin (Poland)

    2007-04-25

    The exchange charge model (ECM) of crystal field is utilized to provide the theoretical explanation of the ground state absorption and the excited state absorption observed for the octahedrally coordinated Ni{sup 2+} ions in the spinel MgAl{sub 2}O{sub 4}. The ECM enables modeling of the crystal field parameters (CFPs) for the impurity ions based on the crystal structure data of the host lattice. To ensure the reliability of the CFPs, the convergence of the CFP values with the increasing number of the coordination spheres taken into account in the ECM calculations is considered. The trigonal CFPs B{sub 2}{sup 0},B{sub 4}{sup 0}andB{sub 4}{sup -3} determined by the ECM, together with the appropriate Racah parameters B and C, serve as input to two crystal field analysis computer packages, which compute the energy level schemes within the whole 3d{sup 8} configuration. The cubic approximation utilizing only one CFP Dq is also discussed. Basic features of the ground and excited state absorption spectra observed for MgAl{sub 2}O{sub 4}:Ni{sup 2+} are satisfactorily explained by our crystal field analysis. In order to model the pressure dependence of the CFPs (and thus of the absorption spectra when relevant experimental data become available), the variation of the CFPs induced by possible distortions of the lattice due to, e.g. overall relaxation of the ions or accommodation of the impurity ions in the lattice, is studied. Analysis of the experimental absorption spectra enables us to evaluate also the Huang-Rhys parameter, the effective phonon energy, and the zero-phonon line position.

  6. The role of the excited electronic states in the C++H2O reaction

    International Nuclear Information System (INIS)

    Flores, Jesus R.; Gonzalez, Adan B.

    2008-01-01

    The electronic excited states of the [COH 2 ] + system have been studied in order to establish their role in the dynamics of the C + +H 2 O→[COH] + +H reaction, which is a prototypical ion-molecule reaction. The most relevant minima and saddle points of the lowest excited state have been determined and energy profiles for the lowest excited doublet and quartet electronic states have been computed along the fragmentation and isomerization coordinates. Also, nonadiabatic coupling strengths between the ground and the first excited state have been computed where they can be large. Our analysis suggests that the first excited state could play an important role in the generation of the formyl isomer, which has been detected in crossed beam experiments [D. M. Sonnenfroh et al., J. Chem. Phys. 83, 3985 (1985)], but could not be explained in quasiclassical trajectory computations [Y. Ishikawa et al., Chem. Phys. Lett. 370, 490 (2003); J. R. Flores, J. Chem. Phys. 125, 164309 (2006)

  7. Two-photon excitation of argon

    International Nuclear Information System (INIS)

    Pindzola, P.S.; Payne, M.C.

    1982-01-01

    The authors calculate two photon excitation parameters for various excited states of argon assuming the absorption of near resonance broad-bandwidth laser radiation. Results are given for the case of two photons absorbed for the same laser beam as well as the case of absorbing photons of different frequency from each of two laser beams. The authors use multiconfiguration Hartree-Fock wave functions to evaluate the second-order sums over matrix elements. Various experimental laser schemes are suggested for the efficient excitation and subsequent ionization of argon

  8. Structure of 26Al studied by one - nucleon transfer reaction 27Al(d,t

    Directory of Open Access Journals (Sweden)

    Srivastava Vishal

    2015-01-01

    Full Text Available The excited states of 26Al have been produced and studied using 27Al(d,t reaction with 25 MeV deuteron as projectile. Optical model potential parameters were extracted from the measured elastic scattering angular distribution. Zero range distorted wave Born approximation analysis for the ground and 0.223 MeV states of 26Al have been done. The spectroscopic factors calculated for these states are found to be in good agreement with the previously reported values.

  9. 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

    Science.gov (United States)

    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.

  10. Photoluminescence of the Mg2Al4Si5O18-Al2O3-MgAl2O4-SiO2 ceramic system containing Fe3+ and Cr3+ as impurity ions

    Science.gov (United States)

    Sosman, L. P.; López, A.; Pedro, S. S.; Papa, A. R. R.

    2018-02-01

    This work presents the results of photoluminescence, excitation and radiative decay time for a ceramic system containing Mg2Al4Si5O18-Al2O3-MgAl2O4-SiO2 with Fe3+ and Cr3+ as impurity ions. Emission data were obtained using several excitation wavelengths and the excitation data were acquired for the most intense emission bands. The optical results were analyzed according to the Tanabe-Sugano (TS) theory from which the crystalline field parameter Dq and Racah parameters B and C were obtained for the Fe3+ and Cr3+ sites. The results indicate that the Fe3+ and Cr3+ ions occupy tetrahedral and octahedral sites, respectively. The emission from Fe3+ and Cr3+ ions causes an intense and broad band ranging between 350 nm and 850 nm, showing that this material is a potential tunable radiation source at room temperature.

  11. Photoluminescence of a single InAs/AlAs quantum dot

    International Nuclear Information System (INIS)

    Shamirzaev, T.S.; Zhuravlev, K.S.; Larsson, M.; Holtz, P.O.

    2008-01-01

    Micro-photoluminescence (μ-PL) of a simple InAs/AlAs quantum dot (QD) has been studied. It has been found that the μ-PL emission related to the recombination in a single QD is strongly broadened probably due to spectral diffusion. Emissions related to the recombination of biexcitons and excitons occupying excited levels of the QD are observed in μ-PL spectra at high excitation power densities. A red shift of the μ-PL emissions related to recombination of excitons in the ground and excited levels of the QD with increasing excitation power gives clear evidence for type I alignment of the InAs/AlAs QD. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. Emission Depth Distribution Function of Al 2s Photoelectrons in Al2O3

    Science.gov (United States)

    Hucek, S.; Zemek, J.; Jablonski, A.; Tilinin, I. S.

    The escape probability of Al 2s photoelectrons leaving an aluminum oxide sample (Al2O3) has been studied as a function of depth of origin. It has been found that the escape probability (the so-called emission depth distribution function - DDF) depends strongly on the photoelectron emission direction with respect to that of the incident X-ray beam. In particular, in the emission direction close to that of photon propagation, the DDF differs substantially from the simple Beer-Lambert law and exhibits a nonmonotonic behavior with a maximum in the near-surface region at a depth of about 10 Å. Experimental results are in good agreement with theoretical predictions based on Monte Carlo simulations of the electron transport and with analytical solution of the linearized Boltzmann kinetic equation with appropriate boundary conditions. Both theoretical approaches take into account multiple elastic scattering of photoelectrons on their way out of the sample. It is shown that the commonly used straight line approximation (SLA), which neglects elastic scattering effects, fails to describe adequately experimental data at emission directions close to minima of the differential photoelectric cross section.

  13. Excited states in biological systems

    International Nuclear Information System (INIS)

    Cilento, G.; Zinner, K.; Bechara, E.J.H.; Duran, N.; Baptista, R.C. de; Shimizu, Y.; Augusto, O.; Faljoni-Alario, A.; Vidigal, C.C.C.; Oliveira, O.M.M.F.; Haun, M.

    1979-01-01

    Some aspects of bioluminescence related to bioenergetics are discussed: 1. chemical generation of excited species, by means of two general processes: electron transference and cyclic - and linear peroxide cleavage; 2. biological systems capable of generating excited states and 3. biological functions of these states, specially the non-emissive ones (tripletes). The production and the role of non-emissive excited states in biological systems are analysed, the main purpose of the study being the search for non-emissive states. Experiences carried out in biological systems are described; results and conclusions are given. (M.A.) [pt

  14. Influence of Resistance Training on Neuromuscular Function and Physical Capacity in ALS Patients

    DEFF Research Database (Denmark)

    Jensen, Line; Djurtoft, J.B.; Bech, Rune Dueholm

    2017-01-01

    Objectives. The present study aimed to explore the effect of resistance training in patients with amyotrophic lateral sclerosis (ALS), a disease characterized by progressive motor neuron loss and muscle weakness. Materials and Methods. Following a 12-week “lead-in” control period, a population...... of ALS patients from Funen, Denmark, completed a 12-week resistance training program consisting of 2-3 sessions/week. Neuromuscular function (strength and power) and voluntary muscle activation (superimposed twitch technique) were evaluated before and after both control and training periods. Physical...... capacity tests (chair rise and timed up and go), the revised ALS functional rating scale (ALSFRS-R) scores, and muscle cross sectional area (histology) were also assessed. Results. Of twelve ALS patients assessed for eligibility, six were included and five completed the study. Training did...

  15. Textile Electrodes Embedded in Clothing: A Practical Alternative to Traditional Surface Electromyography when Assessing Muscle Excitation during Functional Movements

    Directory of Open Access Journals (Sweden)

    Steffi L. Colyer, Polly M. McGuigan

    2018-03-01

    Full Text Available Textile electromyography (EMG electrodes embedded in clothing allow muscle excitation to be recorded in previously inaccessible settings; however, their ability to accurately and reliably measure EMG during dynamic tasks remains largely unexplored. To quantify the validity and reliability of textile electrodes, 16 recreationally active males completed two identical testing sessions, within which three functional movements (run, cycle and squat were performed twice: once wearing EMG shorts (measuring quadriceps, hamstrings and gluteals myoelectric activity and once with surface EMG electrodes attached to the vastus lateralis, biceps femoris and gluteus maximus. EMG signals were identically processed to provide average rectified EMG (normalized to walking and excitation length. Results were compared across measurement systems and demonstrated good agreement between the magnitude of muscle excitation when EMG activity was lower, but agreement was poorer when excitation was higher. The length of excitation bursts was consistently longer when measured using textile vs. surface EMG electrodes. Comparable between-session (day-to-day repeatability was found for average rectified EMG (mean coefficient of variation, CV: 42.6 and 41.2% and excitation length (CV: 12.9 and 9.8% when using textile and surface EMG, respectively. Additionally, similar within-session repeatability (CV was recorded for average rectified EMG (13.8 and 14.1% and excitation length (13.0 and 12.7% for textile and surface electrodes, respectively. Generally, textile EMG electrodes appear to be capable of providing comparable muscle excitation information and reproducibility to surface EMG during dynamic tasks. Textile EMG shorts could therefore be a practical alternative to traditional laboratory-based methods allowing muscle excitation information to be collected in more externally-valid training environments.

  16. Electron-impact excitation autoionization of Ga II

    International Nuclear Information System (INIS)

    Pindzola, M.S.; Griffin, D.C.; Bottcher, C.

    1982-01-01

    The general-reaction theory of Feshbach is applied, within the framework of the distorted-wave approximation, to the calculation of excitation-autoionization resonances in the electron-impact ionization of Ga + . Although the spectrum of autoionizing levels for Ga + is quite complex, we focus our attention on the important 3d 10 4s 2 → 3d 9 4s 2 4p inner-shell excitations. For excitation of the 3d 9 4s 2 4p 1 P 1 autoionizing level we make a general-reaction-theory calculation for the dominant partial-wave cross section and compute a typical resonance profile in the ejected-electron differential cross section. We find that the quantum-mechanical interference between the direct and indirect processes has a small effect on the total ionization cross section. Employing an independent-processes approximation we calculate excitation-autoionization contributions to all twelve levels of the 3d 9 4s 2 4p configuration. Using the results of our calculations and their comparison with a recent crossed-beam experiment by Rogers et al., we discuss the accuracy of the distorted-wave method and the effects of configuration interaction on energy levels and excitation cross sections

  17. Computing correct truncated excited state wavefunctions

    Science.gov (United States)

    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.

  18. Excitation energy partition in 74Ge + 165Ho collision at energy 8.5 MeV/A

    International Nuclear Information System (INIS)

    Blocki, J.; Grotowski, K.; Planeta, R.

    1990-01-01

    The distribution of the excitation energy between both fragments in Heavy Ion Collision has been measured recently for the reaction 74 Ge + 165 Ho at 8.5 MeV/A. One can see from the experimental data a gradual transition from moreless equal partition of the heat for the peripheral collisions (small energy loss) toward equal temperatures in more central collisions (high energy loss). The similar dependence of the heat partition as a function of the energy loss was observed earlier by Vandenbosch et al for the reaction 56 Fe + 238 U at 8.5 MeV/A and by Benton et al for the 56 Fe + 165 Ho for a broad range of energy dissipation. Theoretical calculations leading to the excitation energy division between both fragments have been carried out by Randrup and by Feldmeier. In both calculations the same excitation mechanism was assumed which is the exchange of particles between colliding nuclei. Differences between results are mainly due to the different shape parametrization and calculation of the potential energy. Randrup's results are moving much faster towards equal temperatures limit if one goes to more central collisions. Both models however do not predict the direction of the experimental mass flow for the 56 Fe + 165 Ho system. In the present paper classical dynamical calculations following Feldmeir's approach with some modifications are presented for 74 Ge + 165 Ho system

  19. Coulomb excitation of $^{110}$Sn using REX-ISOLDE

    CERN Document Server

    Ekström, A; Hurst, A; Fahlander, C; Banu, A; Butler, P; Eberth, J; Górska, M; Habs, D; Huyse, M; Kester, O; Niedermayer, O; Nilsson, T; Pantea, M; Scheit, H; Schwalm, D; Sletten, G; Ushasi, D P; Van Duppen, P; Warr, N; Weisshaar, D

    2006-01-01

    In this paper, we report the preliminary result from the first Coulomb excitation experiment at REX-ISOLDE (Habs et al 1998 Nucl. Instrum. Methods B 139 128) using neutron-deficient Sn-beams. The motivation of the experiment is to deduce the reduced transition probability, B(E2 ; 2$^+\\rightarrow$ 0$^+$) , for the sequence of neutron deficient, unstable, even-even Sn-isotopes from using a radioactive beam opens up a new path to study the lifetime of the first excited 2$^+$ state in these isotopes. The de-excitation path following fusion-evaporation reactions will for the even-even Sn isotopes pass via an isomeric 6$^+$ state, located at higher energy, which thus hampers measurements of the lifetime of the first excited state using, e.g., recoil-distance methods. For this reason the reduced transition probability of the first excited 2$^+$ state has remained unknown in this chain of isotopes although the B(E2) value of the stable isotope $^{112}$Sn was measured approximately 30 years ago (see, e.g., Stelson et...

  20. Measurement and analysis of excitation functions in 16O + 103Rh system in the excitation energy range ≅ 2-4 MeV/A

    International Nuclear Information System (INIS)

    Singh, Devendra P.; Unnati; Sharma, Manoj Kumar; Singh, Pushpendra P.; Singh, B.P.; Prasad, R.; Gupta, Sunita; Rakesh Kumar; Bhardwaj, H.D.

    2006-01-01

    In the present work, excitation functions for seven evaporation residues (ERs) produced via complete fusion and incomplete fusion processes in 16 O + 103 Rh system have been measured in the energy range ≅ 47-85 MeV, using recoil catcher technique followed by off-line gamma-ray spectrometry. Comparison of the experimental data with statistical model based computer code PACE 2 revealed dominance of incomplete fusion in reactions involving alpha-emission channels. To the best of our knowledge these reactions are being reported for the first time

  1. Electron-phonon interaction on an Al(001) surface

    International Nuclear Information System (INIS)

    Sklyadneva, I Yu; Chulkov, E V; Echenique, P M

    2008-01-01

    We report an ab initio study of the electron-phonon (e-ph) interaction and its contribution to the lifetime broadening of excited hole (electron) surface states on Al(001). The calculations based on density-functional theory were carried out using a linear response approach in the plane-wave pseudopotential representation. The obtained results show that both the electron-phonon coupling and the linewidth experience a weak variation with the energy and momentum position of a hole (electron) surface state in the energy band. An analysis of different contributions to the e-ph coupling reveals that bulk phonon modes turn out to be more involved in the scattering processes of excited electrons and holes than surface phonon modes. It is also shown that the role of the e-ph coupling in the broadening of the Rayleigh surface phonon mode is insignificant compared to anharmonic effects

  2. p-p analyzing power excitation function between 510 and 725 MeV

    International Nuclear Information System (INIS)

    Beurtey, R.; Arvieux, J.; Boivin, M.; Boyard, J.L.; Durand, J.M.; Combes-Comets, M.P.; Courtat, P.; Gacougnolle, R.; Le Bornec, Y.; Garcon, M.

    1993-01-01

    In an earlier experiment some evidence was observed for narrow dibaryons in the analyzing power excitation function of p-p elastic scattering at √s=2160 MeV and 2192 MeV, with width Γ≅13-14 MeV. A different procedure has been carried out at the SATURNE synchrotron, in order to obtain a very high accuracy of the analyzing power for a large number of energies between 510 and 725 MeV. The results show no evidence for any structure with width ∼5 to 20 MeV. The reasons at the difference between the two experiments are discussed. (K.A.) 2 refs., 3 figs

  3. Density functional theory and evolution algorithm calculations of elastic properties of AlON

    Energy Technology Data Exchange (ETDEWEB)

    Batyrev, I. G.; Taylor, D. E.; Gazonas, G. A.; McCauley, J. W. [U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States)

    2014-01-14

    Different models for aluminum oxynitride (AlON) were calculated using density functional theory and optimized using an evolutionary algorithm. Evolutionary algorithm and density functional theory (DFT) calculations starting from several models of AlON with different Al or O vacancy locations and different positions for the N atoms relative to the vacancy were carried out. The results show that the constant anion model [McCauley et al., J. Eur. Ceram. Soc. 29(2), 223 (2009)] with a random distribution of N atoms not adjacent to the Al vacancy has the lowest energy configuration. The lowest energy structure is in a reasonable agreement with experimental X-ray diffraction spectra. The optimized structure of a 55 atom unit cell was used to construct 220 and 440 atom models for simulation cells using DFT with a Gaussian basis set. Cubic elastic constant predictions were found to approach the experimentally determined AlON single crystal elastic constants as the model size increased from 55 to 440 atoms. The pressure dependence of the elastic constants found from simulated stress-strain relations were in overall agreement with experimental measurements of polycrystalline and single crystal AlON. Calculated IR intensity and Raman spectra are compared with available experimental data.

  4. Nonlinear stability of spin-flip excitations

    International Nuclear Information System (INIS)

    Arunasalam, V.

    1975-01-01

    A rather complete discussion of the nonlinear electrodynamic behavior of a negative-temperature spin system is presented. The method presented here is based on a coupled set of master equations, one describing the time evolution of the photon (i.e., the spin-flip excitation) distribution function and the other describing the time evolution of the particle distribution function. It is found that the initially unstable (i.e., growing) spin-flip excitations grow to such a large amplitude that their nonlinear reaction on the particle distribution function becomes important. It is then shown that the initially totally inverted two-level spin system evolves rapidly (through this nonlinear photon-particle coupling) towards a quasilinear steady state where the populations of the spin-up and the spin-down states are equal to each other. Explicit expressions for the time taken to reach this quasilinear steady state and the energy in the spin-flip excitations at this state are also presented

  5. Functional Performances of CuZnAl Shape Memory Alloy Open-Cell Foams

    Science.gov (United States)

    Biffi, C. A.; Casati, R.; Bassani, P.; Tuissi, A.

    2018-01-01

    Shape memory alloys (SMAs) with cellular structure offer a unique mixture of thermo-physical-mechanical properties. These characteristics can be tuned by changing the pore size and make the shape memory metallic foams very attractive for developing new devices for structural and functional applications. In this work, CuZnAl SMA foams were produced through the liquid infiltration of space holder method. In comparison, a conventional CuZn brass alloy was foamed trough the same method. Functional performances were studied on both bulk and foamed SMA specimens. Calorimetric response shows similar martensitic transformation (MT) below 0 °C. Compressive response of CuZnAl revealed that mechanical behavior is strongly affected by sample morphology and that damping capacity of metallic foam is increased above the MT temperatures. The shape memory effect was detected in the CuZnAl foams. The conventional brass shows a compressive response similar to that of the martensitic CuZnAl, in which plastic deformation accumulation occurs up to the cellular structure densification after few thermal cycles.

  6. Collective Behavior of Interwell Excitons in GaAs/AlGaAs Double Quantum Wells

    DEFF Research Database (Denmark)

    Larionov, A. V.; Timofeev, V. B.; Hvam, Jørn Märcher

    2000-01-01

    Photoluminescence spectra of interwell excitons in double GaAs/AlGaAs quantum wells (n-i-n structures) have been investigated (an interwell excition in these systems is an electron-hole pair spatially separated by a narrow AlAs barrier). Under resonance excitation by circular polarized light...

  7. Hypermetabolism in ALS is associated with greater functional decline and shorter survival.

    Science.gov (United States)

    Steyn, Frederik J; Ioannides, Zara A; van Eijk, Ruben P A; Heggie, Susan; Thorpe, Kathryn A; Ceslis, Amelia; Heshmat, Saman; Henders, Anjali K; Wray, Naomi R; van den Berg, Leonard H; Henderson, Robert D; McCombe, Pamela A; Ngo, Shyuan T

    2018-04-29

    To determine the prevalence of hypermetabolism, relative to body composition, in amyotrophic lateral sclerosis (ALS) and its relationship with clinical features of disease and survival. Fifty-eight patients with clinically definite or probable ALS as defined by El Escorial criteria, and 58 age and sex-matched control participants underwent assessment of energy expenditure. Our primary outcome was the prevalence of hypermetabolism in cases and controls. Longitudinal changes in clinical parameters between hypermetabolic and normometabolic patients with ALS were determined for up to 12 months following metabolic assessment. Survival was monitored over a 30-month period following metabolic assessment. Hypermetabolism was more prevalent in patients with ALS than controls (41% vs 12%, adjusted OR=5.4; pALS. Mean lower motor neuron score (SD) was greater in hypermetabolic patients when compared with normometabolic patients (4 (0.3) vs 3 (0.7); p=0.04). In the 12 months following metabolic assessment, there was a greater change in Revised ALS Functional Rating Scale score in hypermetabolic patients when compared with normometabolic patients (-0.68 points/month vs -0.39 points/month; p=0.01). Hypermetabolism was inversely associated with survival. Overall, hypermetabolism increased the risk of death during follow-up to 220% (HR 3.2, 95% CI 1.1 to 9.4, p=0.03). Hypermetabolic patients with ALS have a greater level of lower motor neuron involvement, faster rate of functional decline and shorter survival. The metabolic index could be important for informing prognosis in ALS. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

  8. A ballistic transport model for electronic excitation following particle impact

    Science.gov (United States)

    Hanke, S.; Heuser, C.; Weidtmann, B.; Wucher, A.

    2018-01-01

    We present a ballistic model for the transport of electronic excitation energy induced by keV particle bombardment onto a solid surface. Starting from a free electron gas model, the Boltzmann transport equation (BTE) is employed to follow the evolution of the temporal and spatial distribution function f (r → , k → , t) describing the occupation probability of an electronic state k → at position r → and time t. Three different initializations of the distribution function are considered: i) a thermal distribution function with a locally and temporally elevated electron temperature, ii) a peak excitation at a specific energy above the Fermi level with a quasi-isotropic distribution in k-space and iii) an anisotropic peak excitation with k-vectors oriented in a specific transport direction. While the first initialization resembles a distribution function which may, for instance, result from electronic friction of moving atoms within an ion induced collision cascade, the peak excitation can in principle result from an autoionization process after excitation in close binary collisions. By numerically solving the BTE, we study the electronic energy exchange along a one dimensional transport direction to obtain a time and space resolved excitation energy distribution function, which is then analyzed in view of general transport characteristics of the chosen model system.

  9. Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme

    International Nuclear Information System (INIS)

    Theophilou, Iris; Tassi, M.; Thanos, S.

    2014-01-01

    Photoinduced charge-transfer processes play a key role for novel photovoltaic phenomena and devices. Thus, the development of ab initio methods that allow for an accurate and computationally inexpensive treatment of charge-transfer excitations is a topic that nowadays attracts a lot of scientific attention. In this paper we extend an approach recently introduced for the description of single and double excitations [M. Tassi, I. Theophilou, and S. Thanos, Int. J. Quantum Chem. 113, 690 (2013); M. Tassi, I. Theophilou, and S. Thanos, J. Chem. Phys. 138, 124107 (2013)] to allow for the description of intermolecular charge-transfer excitations. We describe an excitation where an electron is transferred from a donor system to an acceptor one, keeping the excited state orthogonal to the ground state and avoiding variational collapse. These conditions are achieved by decomposing the space spanned by the Hartree-Fock (HF) ground state orbitals into four subspaces: The subspace spanned by the occupied orbitals that are localized in the region of the donor molecule, the corresponding for the acceptor ones and two more subspaces containing the virtual orbitals that are localized in the neighborhood of the donor and the acceptor, respectively. Next, we create a Slater determinant with a hole in the subspace of occupied orbitals of the donor and a particle in the virtual subspace of the acceptor. Subsequently we optimize both the hole and the particle by minimizing the HF energy functional in the corresponding subspaces. Finally, we test our approach by calculating the lowest charge-transfer excitation energies for a set of tetracyanoethylene-hydrocarbon complexes that have been used earlier as a test set for such kind of excitations

  10. The DSS-14 C-band exciter

    Science.gov (United States)

    Rowan, D. R.

    1989-01-01

    The development and implementation of a C-band exciter for use with the Block IV Receiver-Exciter Subsystem at Deep Space Station 14 (DSS-14) has been completed. The exciter supplements the standard capabilities of the Block IV system by providing a drive signal for the C-band transmitter while generating coherent translation frequencies for C-band (5-GHz) to S-band (2.2- to 2.3-GHz) Doppler extraction, C-band to L-band (1.6-GHz) zero delay measurements, and a level calibrated L-band test signal. Exciter functions are described, and a general explanation and description of the C-band uplink controller is presented.

  11. 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.

    Science.gov (United States)

    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

  12. MCSCF wave functions for excited states of polar molecules - Application to BeO. [Multi-Configuration Self-Consistent Field

    Science.gov (United States)

    Bauschlicher, C. W., Jr.; Yarkony, D. R.

    1980-01-01

    A previously reported multi-configuration self-consistent field (MCSCF) algorithm based on the generalized Brillouin theorem is extended in order to treat the excited states of polar molecules. In particular, the algorithm takes into account the proper treatment of nonorthogonality in the space of single excitations and invokes, when necessary, a constrained optimization procedure to prevent the variational collapse of excited states. In addition, a configuration selection scheme (suitable for use in conjunction with extended configuration interaction methods) is proposed for the MCSCF procedure. The algorithm is used to study the low-lying singlet states of BeO, a system which has not previously been studied using an MCSCF procedure. MCSCF wave functions are obtained for three 1 Sigma + and two 1 Pi states. The 1 Sigma + results are juxtaposed with comparable results for MgO in order to assess the generality of the description presented here.

  13. Pr-magnetism in the quasi-skutterudite compound PrFe2Al8.

    Science.gov (United States)

    Nair, Harikrishnan S; Ogunbunmi, Michael O; Kumar, C M N; Adroja, D T; Manuel, P; Fortes, D; Taylor, J; Strydom, A M

    2017-08-31

    The intermetallic compound PrFe 2 Al 8 that possesses a three-dimensional network structure of Al polyhedra centered at the transition metal element Fe and the rare earth Pr is investigated through neutron powder diffraction and inelastic neutron scattering in order to elucidate the magnetic ground state of Pr and Fe and the crystal field effects of Pr. Our neutron diffraction study confirms long-range magnetic order of Pr below [Formula: see text] K in this compound. Subsequent magnetic structure estimation reveals a magnetic propagation vector [Formula: see text] with a magnetic moment value of [Formula: see text]/Pr along the orthorhombic c-axis and evidence the lack of ordering in the Fe sublattice. The inelastic neutron scattering study reveals one crystalline electric field excitation near 19 meV at 5 K in PrFe 2 Al 8 . The energy-integrated intensity of the 19 meV excitation as a function of [Formula: see text] follows the square of the magnetic form factor of [Formula: see text] thereby confirming that the inelastic excitation belongs to the Pr sublattice. The second sum rule applied to the dynamic structure factor indicates only 1.6(2) [Formula: see text] evolving at the 19 meV peak compared to the 3.58 [Formula: see text] for free [Formula: see text], indicating that the crystal field ground state is magnetic and the missing moment is associated with the resolution limited quasi-elastic line. The magnetic order occurring in Pr in PrFe 2 Al 8 is counter-intuitive to the symmetry-allowed crystal field level scheme, hence, is suggestive of exchange-mediated mechanisms of ordering stemming from the magnetic ground state of the crystal field levels.

  14. Excitation of the 5p57p levels of xenon by electron impact

    International Nuclear Information System (INIS)

    Sharma, L.; Sharma, L.; Srivastava, R.; Stauffer, A.D.

    2011-01-01

    We have used our relativistic distorted-wave method to calculate cross sections for the electron-impact excitation of the ground state of xenon to all the 5p 5 7p fine-structure levels. The results are compared with the recent experimental measurements of Jung et al. [Phys. Rev. A 80, 062708 (2009)]. We show that the measured cross sections of Jung et al. for excitation of the levels with angular momentum J odd are dominated by cascading from higher-lying levels. Analytic fits to our cross sections are also provided for use in plasma modeling studies

  15. A Preliminary Transcranial Magnetic Stimulation Study of Cortical Inhibition and Excitability in High-Functioning Autism and Asperger Disorder

    Science.gov (United States)

    Enticott, Peter G.; Rinehart, Nicole J.; Tonge, Bruce J.; Bradshaw, John L.; Fitzgerald, Paul B.

    2010-01-01

    Aim: Controversy surrounds the distinction between high-functioning autism (HFA) and Asperger disorder, but motor abnormalities are associated features of both conditions. This study examined motor cortical inhibition and excitability in HFA and Asperger disorder using transcranial magnetic stimulation (TMS). Method: Participants were diagnosed by…

  16. Dispersion Relations for Magnetic Excitons in NdAl2

    DEFF Research Database (Denmark)

    Houmann, Jens Christian Gylden; Bak, P.; Purwins, H. -G.

    1974-01-01

    The magnetic excitation spectrum in NdAl2 has been measured by means of inelastic neutron scattering at 5.3K for momentum transfer in the (110) direction. Several excitation branches are observed and discussed in terms of a hamiltonian including an isotropic Heisenberg exchange interaction...

  17. Lowest excited states and optical absorption spectra of donor–acceptor copolymers for organic photovoltaics: a new picture emerging from tuned long-range corrected density functionals

    KAUST Repository

    Pandey, Laxman; Doiron, Curtis; Sears, John S.; Bré das, Jean-Luc

    2012-01-01

    Polymers with low optical gaps are of importance to the organic photovoltaics community due to their potential for harnessing a large portion of the solar energy spectrum. The combination along their backbones of electron-rich and electron-deficient fragments contributes to the presence of low-lying excited states that are expected to display significant charge-transfer character. While conventional hybrid functionals are known to provide unsatisfactory results for charge-transfer excitations at the time-dependent DFT level, long-range corrected (LRC) functionals have been reported to give improved descriptions in a number of systems. Here, we use such LRC functionals, considering both tuned and default range-separation parameters, to characterize the absorption spectra of low-optical-gap systems of interest. Our results indicate that tuned LRC functionals lead to simulated optical-absorption properties in good agreement with experimental data. Importantly, the lowest-lying excited states (excitons) are shown to present a much more localized nature than initially anticipated. © 2012 the Owner Societies.

  18. The Measurement of the Evaporation Residues Excitation Functions in the Fusion Reactions 144Sm (40Ar,xn) and 166Er(40Ar,xn)

    Science.gov (United States)

    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.

  19. Electron-impact excitation and ionization cross sections for ground state and excited helium atoms

    International Nuclear Information System (INIS)

    Ralchenko, Yu.; Janev, R.K.; Kato, T.; Fursa, D.V.; Bray, I.; Heer, F.J. de

    2008-01-01

    Comprehensive and critically assessed cross sections for the electron-impact excitation and ionization of ground state and excited helium atoms are presented. All states (atomic terms) with n≤4 are treated individually, while the states with n≥5 are considered degenerate. For the processes involving transitions to and from n≥5 levels, suitable cross section scaling relations are presented. For a large number of transitions, from both ground and excited states, convergent close coupling calculations were performed to achieve a high accuracy of the data. The evaluated/recommended cross section data are presented by analytic fit functions, which preserve the correct asymptotic behavior of the cross sections. The cross sections are also displayed in graphical form

  20. The formation and decay of triply excited He- states in e-He scattering

    International Nuclear Information System (INIS)

    Heideman, H.G.M.

    1988-01-01

    A description is given of doubly and triply excited negative-ion states and their effects on the electron impact excitation of atomic states. Mechanisms for indirect excitation of singly excited states are discussed with respect to:- negative-ion resonance, autoionisation and post-collision interaction, and excitation of an autoionising state via a negative ion resonance. A classification of doubly excited states is considered. Experimental results on the excitation of the n'S states of helium as a function of the incident electron energy are presented, along with theoretical PCI (post collision interaction) profiles in excitation functions, and an interpretation of the results. (UK)

  1. Electron impact excitation of the lowest doublet and quartet core-excited autoionizing states in Rb atoms

    International Nuclear Information System (INIS)

    Borovik, A; Roman, V; Zatsarinny, O; Bartschat, K

    2013-01-01

    Electron impact excitation of the (4p 5 5s 2 ) 2 P 3/2,1/2 and (4p 5 4d5s) 4 P 1/2,3/2,5/2 autoionizing states in rubidium atoms was studied experimentally by measuring the ejected-electron excitation functions and theoretically by employing a fully relativistic Dirac B-spline R-matrix (close-coupling) model. The experimental data were collected in an impact energy range from the respective excitation thresholds up to 50 eV with an incident electron energy resolution of 0.2 eV and an observation angle of 54.7°. Absolute values of the excitation cross sections were obtained by normalizing to the theoretical predictions. The observed near-threshold resonance structures were also analysed by comparison with theory. For the 2 P 3/2,1/2 doublet states, a detailed analysis of the R-matrix results reveals that the most intense resonances are related to odd-parity negative-ion states with dominant configurations 4p 5 5s5p 2 and 4p 5 4d5s6s. The measured excitation functions for the 2 P 1/2 and 4 P J states indicate a noticeable cascade population due to the radiative decay from high-lying autoionizing states. A comparative analysis with similar data for other alkali atoms is also presented.

  2. Measurement and analysis of the excitation function and isomeric cross section ratios for α-induced reaction on Ir, Au, Re and Ta nuclei

    International Nuclear Information System (INIS)

    Ismail, M.

    1998-01-01

    Excitation functions and a few isomeric cross section ratios for production of (1) 192 Au, 193 Au, 194 Au, 195 Au and 192 Ir nuclides in α-induced reactions on 191,193 Ir, (2) 197 Tl, 197m Hg, 198m.g Tl, 199 Tl and 200 Tl nuclides in α-induced reaction in 197 Au and (3) 183 Re and 184m.g Re nuclides in α-induced reaction in 181 Ta and 185 Re are obtained from the measurements of the residual activities by the conventional stacked-foils technique from threshold to 50 MeV. The excitation function and isomeric cross section ratios for nuclear reaction 181 Ta (α,n) 184m.g Re are compared with the theoretical calculation using the code Stapre which is based on exciton model for pre-equilibrium phase and Hauser-Feshbach formalism taking angular momentum and parity into account for the equilibrium phase of the nuclear reaction. All other experimental excitation functions are compared with the calculations considering equilibrium as well as pre-equilibrium reaction mechanism according to the geometry dependent hybrid (GDH) model and hybrid model of Blann using the code Alice/91. The high energy part of the excitation functions are dominated by pre-equilibrium reaction mechanism whereas the low energy parts are dominated by equilibrium evaporation with its characteristic peak. The GDH model provides a potentially better description of the physical process (i.e. a higher probability for peripheral collisions to undergo precompound decay than for central collisions) compared to hybrid model. However in the energy range of present measurement most of the excitation functions are fitted reasonably well by both GDH model and hybrid model with initial exciton number N 0 =4 (N n =2, N p =2, N h =0). Barring a few reactions we have found the overall agreement between theory and experiment is reasonably good taking the limitations of the theory into account. (author)

  3. Evaluation of excitation functions for isomeric levels in neutron reactions

    International Nuclear Information System (INIS)

    Grudzevich, O.T.; Zelenetskij, A.V.; Zolotarev, K.I.; Kornilov, N.V.; Pashchenko, A.B.

    1993-07-01

    The authors consider the use of theoretical models to describe experimental excitation functions for isomeric levels in neutron reactions and to predict the cross-sections when no experimental data are available. It is shown that, in many cases, experimental data can be described quite satisfactorily by calculations without adjustment of parameters. For threshold reactions at a neutron energy of ∼ 14 MeV the agreement between calculated and experimental isomeric ratios is ∼ 20%, and is determined mainly by errors in the experimental ratios. However, for some reactions there are considerable differences between experimental and calculated data, which are due, in the authors' opinion, to uncertainties in the schemes of the low-lying levels and of gamma transitions between levels and to the spin dependence of level density. The small isomeric ratio values R<0.1 are described with the lowest accuracy. A formula is suggested for the energy dependence of the isomeric ratio in the (n,γ) reaction. (author)

  4. Optical properties of Al nanostructures from time dependent density functional theory

    KAUST Repository

    Mokkath, Junais Habeeb; Schwingenschlö gl, Udo

    2016-01-01

    The optical properties of Al nanostructures are investigated by means of time dependent density functional theory, considering chains of varying length and ladders/stripes of varying aspect ratio. The absorption spectra show redshifting

  5. Dielectric function of semiconductor superlattice

    International Nuclear Information System (INIS)

    Qin Guoyi.

    1990-08-01

    We present a calculation of the dielectric function for semiconductor GaAs/Ga 1-x Al x As superlattice taking account of the extension of the electron envelope function and the difference of both the dielectric constant and width between GaAs and Ga 1-x Al x As layers. In the appropriate limits, our results exactly reduce to the well-known results of the quasi two-dimensional electron gas obtained by Lee and Spector and of the period array of two-dimensional electron layers obtained by Das Sarma and Quinn. By means of the dielectric function of the superlattice, the dispersion relation of the collective excitation and the screening property of semiconductor superlattice are discussed and compared with the results of the quasi two-dimensional system and with the results of the periodic array of the two-dimensional electron layers. (author). 4 refs, 3 figs

  6. Prognostic factors for the course of functional status of patients with ALS: a systematic review

    NARCIS (Netherlands)

    Creemers, Huub; Grupstra, Hepke; Nollet, Frans; van den Berg, Leonard H.; Beelen, Anita

    2015-01-01

    The progressive course of amyotrophic lateral sclerosis (ALS) results in an ever-changing spectrum of the care needs of patients with ALS. Knowledge of prognostic factors for the functional course of ALS may enhance clinical prediction and improve the timing of appropriate interventions. Our

  7. Functionally graded Ti6Al4V and Inconel 625 by Laser Metal Deposition

    Science.gov (United States)

    Pulugurtha, Syamala R.

    The objective of the current work was to fabricate a crack-free functionally graded Ti6Al4V and Inconel 625 thin wall structure by Laser Metal Deposition (LMD). One potential application for the current material system is the ability to fabricate a functionally graded alloy that can be used in a space heat exchanger. The two alloys, Inconel 625 and Ti6Al4V are currently used for aerospace applications. They were chosen as candidates for grading because functionally grading those combines the properties of high strength/weight ratio of Ti6Al4V and high temperature oxidation resistance of Inconel 625 into one multifunctional material for the end application. However, there were challenges associated with the presence of Ni-Ti intermetallic phases (IMPs). The study focused on several critical areas such as (1) understanding microstructural evolution, (2) reducing macroscopic cracking, and (3) reducing mixing between graded layers. Finite element analysis (FEA) was performed to understand the effect of process conditions on multilayer claddings for simplified material systems such as SS316L and Inconel 625 where complex microstructures did not form. The thermo-mechanical models were developed using Abaqus(TM) (and some of them experimentally verified) to predict temperature-gradients; remelt layer depths and residual stresses. Microstructure evolution along the functionally graded Ti6Al4V and Inconel 625 was studied under different processing and grading conditions. Thermodynamic modeling using Factsage (v 6.1) was used to construct phase diagrams and predict the possible equilibrium major/minor phases (verified experimentally by XRD) that may be present along the functionally graded Ti6Al4V and Inconel 625 thin wall structures.

  8. Organic electronic materials: Recent advances in the dft description of the ground and excited states using tuned range-separated hybrid functionals

    KAUST Repository

    Körzdörfer, Thomas

    2014-11-18

    Density functional theory (DFT) and its time-dependent extension (TD-DFT) are powerful tools enabling the theoretical prediction of the ground- and excited-state properties of organic electronic materials with reasonable accuracy at affordable computational costs. Due to their excellent accuracy-to-numerical-costs ratio, semilocal and global hybrid functionals such as B3LYP have become the workhorse for geometry optimizations and the prediction of vibrational spectra in modern theoretical organic chemistry. Despite the overwhelming success of these out-of-the-box functionals for such applications, the computational treatment of electronic and structural properties that are of particular interest in organic electronic materials sometimes reveals severe and qualitative failures of such functionals. Important examples include the overestimation of conjugation, torsional barriers, and electronic coupling as well as the underestimation of bond-length alternations or excited-state energies in low-band-gap polymers.In this Account, we highlight how these failures can be traced back to the delocalization error inherent to semilocal and global hybrid functionals, which leads to the spurious delocalization of electron densities and an overestimation of conjugation. The delocalization error for systems and functionals of interest can be quantified by allowing for fractional occupation of the highest occupied molecular orbital. It can be minimized by using long-range corrected hybrid functionals and a nonempirical tuning procedure for the range-separation parameter.We then review the benefits and drawbacks of using tuned long-range corrected hybrid functionals for the description of the ground and excited states of π-conjugated systems. In particular, we show that this approach provides for robust and efficient means of characterizing the electronic couplings in organic mixed-valence systems, for the calculation of accurate torsional barriers at the polymer limit, and for the

  9. Use of the Halbach perturbation theory for the multipole design of the ALS storage ring sextupole

    Energy Technology Data Exchange (ETDEWEB)

    Marks, S. [Lawrence Berkeley Lab., CA (United States)

    1995-02-01

    The Advanced Light Source (ALS) storage ring sextupole is a unique multi-purpose magnet. It is designed to operate in the primary or sextupole mode and in three auxiliary trim modes: horizontal steering, vertical steering, and skew quadrupole. Klaus Halbach developed a perturbation theory for iron-dominated magnets which provides the basis for this design. Many magnet designers, certainly those who have been exposed to Klaus, are familiar with this theory and have used it for such things as evaluating the effect of assembly alignment errors. The ALS sextupole design process was somewhat novel in its use of the perturbation theory to design essential features of the magnet. In particular, the steering and skew quadrupole functions are produced by violating sextupole symmetry and are thus perturbations of the normal sextupole excitation. The magnet was designed such that all four modes are decoupled and can be excited independently. This paper discusses the use of Halbach`s perturbation theory to design the trim functions and to evaluate the primary asymmetry in the sextupole mode, namely, a gap in the return yoke to accommodate the vacuum chamber. Prototype testing verified all operating modes of the magnet and confirmed the expected performance from calculations based upon the Halbach perturbation theory. A total of 48 sextupole magnets of this design are now installed and operating successfully in the ALS storage ring.

  10. Fission lifetime measured by the blocking technique as a function of excitation energy in the 24 A.MeV 238U+28Si reaction

    International Nuclear Information System (INIS)

    Morjean, M.; Galin, J.; Goldenbaum, F.; Lienard, E.; Chevallier, M.; Dauvergne, D.; Kirsch, R.; Jacquet, D.; and others.

    1997-01-01

    The blocking technique was used to infer fission lifetimes as a function of excitation energy for uranium-like nuclei formed in the U+Si reactions at 24 MeV/nucleon. The fission lifetimes are found larger than 10 -19 s for excitation energies up to about 250 MeV. (K.A.)

  11. Important role of projectile excitation in 16O+60Ni and 16O+27Al scattering at intermediate energies

    Science.gov (United States)

    Zagatto, V. A. B.; Cappuzzello, F.; Lubian, J.; Cavallaro, M.; Linares, R.; Carbone, D.; Agodi, C.; Foti, A.; Tudisco, S.; Wang, J. S.; Oliveira, J. R. B.; Hussein, M. S.

    2018-05-01

    The elastic scattering angular distribution of the 16O+60Ni system at 260 MeV was measured in the range of the Rutherford cross section down to seven orders of magnitude. The cross sections of the lowest 2+ and 3- inelastic states of the target were also measured over several orders of magnitude. Coupled-channel (CC) calculations were performed and are shown to be compatible with the whole set of data only when including the excitation of the projectile and when the deformations of the imaginary part of the nuclear optical potential are taken into account. Similar results were obtained when the procedure is applied to the existing data on 16O+27Al elastic and inelastic scattering at 100 and 280 MeV. An analysis in terms of dynamical polarization potentials (DPP) indicates the major role of coupled-channel effects in the overlapping surface region of the colliding nuclei.

  12. Studying the excitation function of the full cross section of a reaction using a modified transmission technique: Initial results

    Czech Academy of Sciences Publication Activity Database

    Sobolev, Yuri, G.; Penionyhkevich, Y. E.; Borcha, K.; Ivanov, M. P.; Kugler, Andrej; Kulko, A. A.; Kroha, Václav; Maslov, V. A.; Mrázek, Jaromír; Negret, A.; Rvenko, R. V.; Savrov, Ya. Yu.; Skobelev, N. K.; Trzaska, V. G.

    2012-01-01

    Roč. 76, č. 8 (2012), s. 952-957 ISSN 1062-8738 R&D Projects: GA MŠk LA08002 Institutional support: RVO:61389005 Keywords : cross sections * excitation functions * radioactive beams Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders

  13. Excitation functions for some Ne induced reactions with Holmium: incomplete fusion vs complete fusion

    International Nuclear Information System (INIS)

    Agarwal, Avinash; Kumar, Munish; Sharma, Anjali; Rizvi, I.A.; Ahamad, Tauseef; Ghugre, S.S.; Sinha, A.K.; Chaubey, A.K.

    2010-01-01

    Reactions induced by 20 Ne are expected to be considerably more complex than those of 12 C, and 16 O. As a part of the ongoing program to understand CF and ICF reaction mechanisms, it is of great interest to see whether the same experimental technique yield similarly valuable information for 20 Ne induced reactions. In this present work an attempt has been made to measure the excitation functions for fifteen evaporation residues (ERs) identified in the interaction of 20 Ne + 165 Ho system in the energy range 4 -7 MeV/A

  14. Resonant Raman characterization of InAlGaN/GaN heterostructures

    International Nuclear Information System (INIS)

    Cros, A.; Cantarero, A.; Pelekanos, N.T.; Georgakilas, A.; Pomeroy, J.; Kuball, M.

    2006-01-01

    InAlGaN/GaN heterostructures and thin films with In composition ranging from 0.03 to 0.1 are characterized by means of Raman scattering excited at various energies in the ultra violet range, tuning the laser excitation energy through the band gap of In x Al y Ga 1-x-y N. It is shown that the addition of In to the Al y Ga 1-y N alloy diminishes considerably the vibration energy of the A 1 (LO) phonon mode. The phonon line is asymmetric on the low energy side, and the asymmetry increases with In content, while the main peak shifts to lower energies. A shift of the phonon energy has also been observed when the excitation energy is close to the absorption edge of the In x Al y Ga 1-x-y N layer. The nature of this shift is discussed in relation with intrinsic and extrinsic inhomogeneities in the quaternary alloy. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Resonant Raman characterization of InAlGaN/GaN heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Cros, A.; Cantarero, A. [Institut de Ciencia dels Materials, Universitat de Valencia, 46071 Valencia (Spain); Pelekanos, N.T.; Georgakilas, A. [Microelectronics Research Group, FORTH/IESL and University of Crete, P.O. Box 1527, 71110 Heraklion, Crete (Greece); Pomeroy, J.; Kuball, M. [H. H. Wills Physics Laboratory, University of Bristol, Bristol BS8 1TL (United Kingdom)

    2006-06-15

    InAlGaN/GaN heterostructures and thin films with In composition ranging from 0.03 to 0.1 are characterized by means of Raman scattering excited at various energies in the ultra violet range, tuning the laser excitation energy through the band gap of In{sub x}Al{sub y}Ga{sub 1-x-y}N. It is shown that the addition of In to the Al{sub y}Ga{sub 1-y}N alloy diminishes considerably the vibration energy of the A{sub 1}(LO) phonon mode. The phonon line is asymmetric on the low energy side, and the asymmetry increases with In content, while the main peak shifts to lower energies. A shift of the phonon energy has also been observed when the excitation energy is close to the absorption edge of the In{sub x}Al{sub y}Ga{sub 1-x-y}N layer. The nature of this shift is discussed in relation with intrinsic and extrinsic inhomogeneities in the quaternary alloy. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Evidence for fluctuations in statistical model cross sections from the study of {sup 27}Al(d,{alpha}) {sup 25}Mg reaction; Mise en evidence des fluctuations de sections efficaces du modele statistique par l'etude de la reaction {sup 27}Al(d,{alpha}) {sup 25}Mg

    Energy Technology Data Exchange (ETDEWEB)

    Papineau born Heller, L [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1965-06-01

    A complete set of experimental data has been obtained for the reaction {sup 27}Al(d, {alpha}){sup 25}Mg for excitation energies in the compound nucleus {sup 29}Si between 19.7 and 27.4 MeV, in order to compare with the theoretical predictions of the statistical model of nuclear reactions including fluctuations. Numerical calculations of the theoretical cross sections were made and contributions to methods of analysis of fluctuating excitation functions are given. The results confirm strong evidence for statistical fluctuations in nuclear cross sections. (author) [French] On a obtenu un ensemble complet de donnees experimentales de la reaction {sup 27}Al(d, {alpha}){sup 25}Mg pour des energies d'excitation du noyau compose {sup 29}Si comprises entre 19,7 et 27,4 MeV, permettant la comparaison avec les previsions theoriques du modele statistique des reactions nucleaires dans sa version complete comprenant les fluctuations. Des calculs numeriques de sections efficaces theoriques ont ete effectues et des contributions ont ete apportees aux methodes d'analyse de fonctions d'excitation presentant des fluctuations. Les resultats ont clairement confirme l'existence de fluctuations statistiques de sections efficaces. (auteur)

  17. Photochemistry of the α-Al2O3-PETN Interface

    Directory of Open Access Journals (Sweden)

    Roman V. Tsyshevsky

    2016-02-01

    Full Text Available Optical absorption measurements are combined with electronic structure calculations to explore photochemistry of an α-Al2O3-PETN interface formed by a nitroester (pentaerythritol tetranitrate, PETN, C5H8N4O12 and a wide band gap aluminum oxide (α-Al2O3 substrate. The first principles modeling is used to deconstruct and interpret the α-Al2O3-PETN absorption spectrum that has distinct peaks attributed to surface F0-centers and surface—PETN transitions. We predict the low energy α-Al2O3 F0-center—PETN transition, producing the excited triplet state, and α-Al2O3 F0-center—PETN charge transfer, generating the PETN anion radical. This implies that irradiation by commonly used lasers can easily initiate photodecomposition of both excited and charged PETN at the interface. The feasible mechanism of the photodecomposition is proposed.

  18. Raman study of strain in GaN/AlN quantum dot multilayered structures

    Energy Technology Data Exchange (ETDEWEB)

    Cros, A.; Garro, N.; Llorens, J.M.; Garcia-Cristobal, A.; Cantarero, A. [Institut de Ciencia dels Materials, Universitat de Valencia, 46071 Valencia (Spain); Gogneau, N.; Monroy, E.; Daudin, B. [CEA-CNRS Group, ' ' Nanophysique et Semiconducteurs' ' , Departement de la Recherche Fondamentale sur la Matiere Condensee, CEA-Grenoble, 17 rue des Martyrs, 38054-Grenoble Cedex 9 (France)

    2005-05-01

    Raman spectroscopy has been used to investigate self-assembled stacks of GaN/AlN quantum dots with increasing number of periods. The E{sub 2H} phonon modes associated to GaN and AlN are clearly resolved with visible excitation, and their energies allow the simultaneous monitoring of the dot and barrier strain states. The compression of the quantum dots is evidenced by a shift of the E{sub 2H} phonon mode of circa 29 cm{sup -1} to higher energies with respect to its relaxed value. The strain of the AlN spacer is found to be correlated to that of the dot, with an increase in its tensile component for the samples with fewer periods and a partial relaxation for samples over 50 periods. Additionally, resonant effects of the A{sub 1}(LO) phonon mode have been investigated by tuning the excitation over a wide range in the ultra-violet region. A discussion of the strain distribution in quantum dots and spacers as a function of the number of periods is performed by means of a theoretical calculation based on the method of inclusions. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. The thermotidal exciting function for water vapour absorption of solar radiation

    Directory of Open Access Journals (Sweden)

    M. BONAFEDE

    1976-06-01

    Full Text Available The thermotidal exciting function J is considered, for
    the absorption of solar radiation by water vapour, according to the model
    derived by Siebert. The Mugge-Moller formula for water vapour absorption
    is integrated numerically, using experimental data for the water vapour
    concentration in the troposphere and the stratosphere. It appears that
    Siebort's formula is a reasonable approximation at low tropospheric levels
    but it dramatically overestimates the water vapour thermotidal heating
    in the upper troposphere and in the stratosphere. It seems thus possible
    that, if the correct vertical profile is employed for J , the amplitudes and
    phases of the diurnal temperature oscillations and of the tidal wind speeds
    may suffer significant changes from those previously calculated and possibly explain the three hours delay of the observed phases from the computed values.

  20. Spectrographic determination of impurities in ammonium bifluoride. III. Study of the processes of vaporization, transport and excitation of the elements Al, B, Cu and Cr; Determinacion espectrografico de impurezas en bifluoruro amonico. III. Estudio de los procesos de volatilizacion, transporte y excitacion de los elementos Al, B, Cu, Cr

    Energy Technology Data Exchange (ETDEWEB)

    Alduan, F A; Roca, M; Capdevila, C

    1979-07-01

    The influences of the processes of vaporization, transport and excitation on the shape of the volatilization-excitation curves and on the values of the spectral-line intensities have been investigated in a method for the spectrographic determination of Al, B, Cu and Cr In ammonium bifluoride samples by direct current are excitation in Scribner type electrodes, with addition of different matrices (graphite, 63203, GeO{sub 2}, MgO and Zn0). The reaction products in the electrode cavity have been identified by X-ray powder diffraction analysis and the percentages of vaporized and diffused element evaluated through analysis by total-burning spectrographic methods. In addition, the values of both the number of particles entering the discharge column and the transport efficiencies have been calculated. Thus, the origin of most observed differences has been explained. (Author) 11 refs.

  1. Excitation functions for quasi-elastic transfer reactions induced with heavy ions in bismuth

    International Nuclear Information System (INIS)

    Gardes, D.; Bimbot, R.; Maison, J.; Reilhac, L. de; Rivet, M.F.; Fleury, A.; Hubert, F.; Llabador, Y.

    1977-01-01

    The excitation functions for the production of 210 Bi, 210 Po, sup(207-211)At and 211 Rn through quasi-elastic transfer reactions induced with heavy ions in 209 Bi have been measured. The corresponding reactions involved the transfer of one neutron, one proton, two and three charges from projectile to target. The projectiles used were 12 C, 14 N, 16 O, 19 F, 20 Ne, 40 Ca, 56 Fe and 63 Cu. The experimental techniques involved target irradiations and off-line α and γ activity measurements. Chemical separations were used to solve specific problems. Careful measurements of incident energies and cross sections were performed close to the reaction thresholds

  2. 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

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Li-Na; Liu, Fu-Hu [Shanxi University, Institute of Theoretical Physics, Taiyuan, Shanxi (China); Sun, Yan; Sun, Zhu [Shanxi Datong University, Department of Physics, Datong, Shanxi (China); Lacey, Roy A. [Stony Brook University, Departments of Chemistry and Physics, Stony Brook, NY (United States)

    2017-03-15

    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 σ{sub C} and fraction k{sub C} of the central rapidity region, and the distribution width σ{sub F} and rapidity shift Δy of the forward/backward rapidity regions, are then obtained. The excitation function of σ{sub C} increases generally with increase of the center-of-mass energy per nucleon pair √(s{sub NN}). The excitation function of σ{sub F} shows a saturation at √(s{sub NN}) = 8.8 GeV. The excitation function of k{sub C} shows a minimum at √(s{sub NN}) = 8.8 GeV and a saturation at √(s{sub NN}) ∼ 17 GeV. The excitation function of Δy increases linearly with ln(√(s{sub NN})) in the considered energy range. (orig.)

  3. Brillouin Light Scattering from Magnetic Excitations in Superparamagnetic and Ferromagnetic Co-Al-O Granular Films

    Science.gov (United States)

    Yoshihara, Akira; Maeda, Toshiteru; Kawamura, Satoshi; Nakamura, Shintaro; Nojima, Tsutomu; Takeda, Yoshihiko; Ohnuma, Shigehiro

    2018-04-01

    A systematic study of Brillouin light scattering (BLS) from superparamagnetic (SPM) and ferromagnetic (FM) Co-Al-O granular films was performed under magnetic fields of up to 4.6 kOe in the standard backscattering geometry at room temperature. The SPM and FM boundary, defined as the Co composition at which the exchange field vanishes, was found to be located at xC(Co) = 59.3 ± 1.3 at. %. From FM films we observed a pair of bulk spin-wave peaks on both the positive- and negative-frequency sides and a surface localized Damon-Eshbach peak only on the positive-frequency side under the present scattering conditions. From SPM films, a pair of broader but propagative excitation peaks with asymmetric intensity were observed on both frequency sides in a spectrum. We performed a numerical analysis of the BLS spectrum by employing the theory developed by Camley and Mills (CM) while retaining dipole and exchange couplings for FM films and only dipole coupling for SPM films. The CM theory successfully reproduced the observed spectrum for both SPM and FM films. The SPM spectrum exhibits a singlet-doublet peak structure similarly to an FM SW spectrum. The SPM peak stems from the dipole-coupled larger-amplitude precession motion of the granule magnetic moment around the external-field-induced magnetization.

  4. Excitation equilibria in plasmas: a classification

    International Nuclear Information System (INIS)

    Mullen, J.-J.A.M. van der.

    1986-01-01

    In this thesis the author presents a classification of plasmas based on the atomic state distribution function. The study is based on the relation between the distribution function and the underlying processes and starts with the proper understanding of thermodynamic equilibrium (TE). Four types of proper balances are relevant: The 'Maxwell balance' of kinetic energy transfer, the 'Boltzmann balance' of excitation/deexcitation, the 'Saha balance' of ionization/recombination and the 'Planck balance' for interaction of atoms with radiation. Special attention is paid to the distribution function of the ionizing excitation saturation balance. The classification theory of the distribution functions in relation with underlying balances is supported by experimental evidence in an ionizing argon plasma. The AR I system provides a pertinent support of the theory. Experimental facts found in the AR II system can be interpreted in global terms. (Auth.)

  5. Experimental and evaluated data on the discrete level excitation function of the 238U(n,n') reaction

    International Nuclear Information System (INIS)

    Simakov, S.P.

    1991-01-01

    Experimental data on the 238 U excitation function are compiled and analyzed. The experimental data are compared with the evaluated data from the BNAB, ENDF/B-IV and ENDL-78 evaluated data libraries. It is shown that the BNAB evaluated data are in good agreement with the existing experimental data, including new results from recent experiments. (author). 26 refs, 2 figs, 2 tabs

  6. Electronic properties of B and Al doped graphane: A hybrid density functional study

    Science.gov (United States)

    Mapasha, R. E.; Igumbor, E.; Andriambelaza, N. F.; Chetty, N.

    2018-04-01

    Using a hybrid density functional theory approach parametrized by Heyd, Scuseria and Ernzerhof (HSE06 hybrid functional), we study the energetics, structural and electronic properties of a graphane monolayer substitutionally doped with the B (BCH) and Al (AlCH) atoms. The BCH defect can be integrated within a graphane monolayer at a relative low formation energy, without major structural distortions and symmetry breaking. The AlCH defect relaxes outward of the monolayer and breaks the symmetry. The density of states plots indicate that BCH doped graphane monolayer is a wide band gap semiconductor, whereas the AlCH defect introduces the spin dependent mid gap states at the vicinity of the Fermi level, revealing a metallic character with the pronounced magnetic features. We further examine the response of the Al dependent spin states on the multiple charge states doping. We find that the defect formation energy, structural and electronic properties can be altered via charge state modulation. The +1 charge doping opens an energy band gap of 1.75 eV. This value corresponds to the wavelength in the visible spectrum, suggesting an ideal material for solar cell absorbers. Our study fine tunes the graphane band gap through the foreign atom doping as well as via defect charge state modulation.

  7. Self-excitation of space charge waves

    DEFF Research Database (Denmark)

    Lyuksyutov, Sergei; Buchhave, Preben; Vasnetsov, Mikhail

    1997-01-01

    We report a direct observation of space charge waves in photorefractive crystals with point group 23 (sillenites) based on their penetration into an area with uniform light illumination. It is shown experimentally that the quality factor of the waves increases substantially with respect to what c...... current theory predicts [B. Sturman el al., Appl. Phys. A 55, 235 (1992)]. This results in the appearance of strong spontaneous beams caused by space charge wave self-excitation....

  8. Excited state nuclear forces from the Tamm-Dancoff approximation to time-dependent density functional theory within the plane wave basis set framework

    Science.gov (United States)

    Hutter, Jürg

    2003-03-01

    An efficient formulation of time-dependent linear response density functional theory for the use within the plane wave basis set framework is presented. The method avoids the transformation of the Kohn-Sham matrix into the canonical basis and references virtual orbitals only through a projection operator. Using a Lagrangian formulation nuclear derivatives of excited state energies within the Tamm-Dancoff approximation are derived. The algorithms were implemented into a pseudo potential/plane wave code and applied to the calculation of adiabatic excitation energies, optimized geometries and vibrational frequencies of three low lying states of formaldehyde. An overall good agreement with other time-dependent density functional calculations, multireference configuration interaction calculations and experimental data was found.

  9. Stokes and anti-Stokes photoluminescence towards five different In-x(Al0.17Ga0.83)(1-x)As/Al0.17Ga0.83As quantum wells

    DEFF Research Database (Denmark)

    Machida, S.; Tadakuma, T.; Satake, A.

    2005-01-01

    Stokes and anti-Stokes photoluminescence (AS-PL) has been investigated in a step-graded Inx(Al0.17Ga0.83)1–xAs/Al0.17Ga0.83As quantum-well (QW) heterostructure consisting of five QWs with different x values. Stokes PL spectra of this sample show a significant difference in PL intensity between...... the wells under indirect excitation conditions due to the existence of competitive resonant and nonresonant capture processes, while they exhibit a rather uniform PL intensity distribution under direct excitation. When the excitation wavelength is tuned to 810 nm for AS-PL detection, it is transparent...... is basically determined by the competitive capture of photoexcited carriers through the thick barriers, generated far from the five wells due to the nonlinear excitation processes in GaAs. ©2005 American Institute of Physics...

  10. Dielectric function and electro-optical properties of (Al,Ga)N/GaN-heterostructures; Dielektrische Funktion und elektrooptische Eigenschaften von (Al,Ga)N/GaN-Heterostrukturen

    Energy Technology Data Exchange (ETDEWEB)

    Buchheim, Carsten

    2010-04-23

    In this work extensive investigations on nitride semiconductors by optical spectroscopy are presented. The ordinary and the extraordinary component of the dielectric function of GaN in the spectral range from 1.2 to 9.8 eV is shown for the first time. It is demonstrated, that the transparent spectral range is clearly influenced by higher energetic critical points of the band structure. The optical selection rules for GaN and AlN are verified considering the actual strain state. The change of the valence band ordering of AlN in comparison to GaN is proven and the crystal field splitting is estimated for AlN. The ordinary dielectric function of AlGaN is determined for different Al contents. The data are used for developing an analytical model, which includes excitonic effects and bowings. It allows the calculation of the dielectric function for arbitrary alloy compositions. (GaN/)AlGaN/GaN heterostructures are investigated by spectroscopic ellipsometry as well as by photoreflectance and electroreflectance. The optical data yields the electric field strengths of the individual layers to determine the density of the two-dimensional carrier gases at the heterointerfaces with high accuracy. The surface potential is calculated from the combination of experiments and Schroedinger-Poisson calculations. Its dependency on the Al content is quantified. For the special case of thick cap layers the coexistence of electron and hole gases in one sample is experimentally proven for the first time. Several interband transitions between quantized states in AlN/GaN superlattices are observed by electroreflectance. The comparison to quantum mechanical calculations demonstrates the influence of strain and electrical fields (quantum confined Stark effect). For both the ratio of the thicknesses of quantum wells and barriers is crucial. From the dielectric function of the superlattices it becomes obvious, that quantum size effects are not only important for the vicinity of the bandgap, but

  11. New excitation equipment for 220 MW generators in Kozloduy NPP

    International Nuclear Information System (INIS)

    Tomerlin, D.

    2001-01-01

    Rehabilitation on the excitation equipment for Generator 5, Reactor Unit 3, in Kozloduy NPP was completed in November 2000. ABB's Static Excitation System based on UNITROL 5000 technology has been chosen by the Bulgarian National Utility and Kozloduy NPP to substitute the original Russian excitation system equipment with electro-magnetic voltage regulators. The substitution is in a rehabilitation package of four excitation system equipment for Generator 5 and 6 of Reactor Unit 3 and Generator 7 and 8 of Reactor Unit 4 after a short overview of the original excitation system this paper describes the new Static Excitation System UNITROL 5000 including configuration with block diagram, its main features and merits such as modes of operation, limiter, special control functions and diagnostic facilities. Furthermore, new facilities, which are implemented in UNITROL 5000, such as dynamic current distribution among the thyristors working in parallel as well as the start-up from the residual magnetism are mentioned. Special functions including a so-called free-running mode of operation and automatic change over sequence from new excitation system to the stand-by excitation system, which is DC exciter machine, are described. Some records of the transient responses performed during the commissioning and a photograph of a manufactured system are provided. (author)

  12. Statistical model calculation of fission isomer excitation functions in (n,n') and (n,γ) reactions

    International Nuclear Information System (INIS)

    Chatterjee, A.; Athougies, A.L.; Mehta, M.K.

    1977-01-01

    A statistical model developed by Britt and others (1971, 1973) to analyze isomer excitation functions in spallation type reactions like (α,2n) has been adopted in fission isomer calculations for (n,n') and (n,γ) reactions. Calculations done for 235 U(n,n')sup(238m)U and 235 U(n,γ)sup(236m)U reactions have been compared with experimental measurements. A listing of the computer program ISOMER using FORTRAN IV to calculate the isomer to prompt ratios is given. (M.G.B.)

  13. Density-functional calculations of the surface tension of liquid Al and Na

    Science.gov (United States)

    Stroud, D.; Grimson, M. J.

    1984-01-01

    Calculations of the surface tensions of liquid Al and Na are described using the full ionic density functional formalism of Wood and Stroud (1983). Surface tensions are in good agreement with experiment in both cases, with results substantially better for Al than those found previously in the gradient approximation. Preliminary minimization with respect to surface profile leads to an oscillatory profile superimposed on a nearly steplike ionic density disribution; the oscillations have a wavellength of about a hardsphere diameter.

  14. Excited states above the proton threshold in {sup 26}Si

    Energy Technology Data Exchange (ETDEWEB)

    Komatsubara, T. [Institute for Basic Science (IBS), Rare Isotope Science Project, Yuseong-gu Daejeon (Korea, Republic of); Kubono, S.; Ito, Y. [RIKEN, Saitama (Japan); Hayakawa, T.; Shizuma, T. [Japan Atomic Energy Agency, Tokai, Ibaraki (Japan); Ozawa, A.; Ishibashi, Y. [University of Tsukuba, Institute of Physics, Tsukuba, Ibaraki (Japan); Moriguchi, T. [National Cerebral and Cardiovascular Center Research Institute, Suita, Osaka (Japan); Yamaguchi, H.; Kahl, D. [University of Tokyo, Wako Branch, Center for Nuclear Study (CNS), Wako, Saitama (Japan); Hayakawa, S. [Laboratori Nazionali del Sud-INFN, Catania (Italy); Nguyen Binh, Dam [Vietnamese Academy for Science and Technology, Institute of Physics, Hanoi (Viet Nam); Chen, A.A.; Chen, J. [McMaster University, Hamilton, Ontario (Canada); Setoodehnia, K. [University of Notre Dame, Department of Physics, Notre Dame, Indiana (United States); Kajino, T. [National Astronomical Observatory, Tokyo (Japan); University of Tokyo, Department of Astronomy, Graduate School of Science, Tokyo (Japan)

    2014-09-15

    The level scheme above the proton threshold in {sup 26}Si is crucial for evaluating the {sup 25}Al(p, γ){sup 26}Si stellar reaction, which is important for understanding the astrophysical origin of the long-lived cosmic radioactivity {sup 26}Al(T{sub 1/2} = 7.17 x 10{sup 5} y) in the Galaxy. The excited states in {sup 26}Si have been studied using an in-beam γ-ray spectroscopy technique with the {sup 24}Mg({sup 3}He, nγ){sup 26}Si reaction. γ-rays with energies up to 4.6 MeV emitted from excited states in {sup 26}Si have been measured using large volume HPGe detectors. The spin-parity of one of the most important states reported recently at 5890.0keV has been assigned as 0{sup +} by γ-γ angular correlation measurements in this work. (orig.)

  15. Time-separated oscillatory fields for high-precision mass measurements on short-lived Al and Ca nuclides

    CERN Document Server

    George, Simon; Blank, B.; Blaum, K.; Breitenfeldt, M.; Hager, U.; Herfurth, F.; Herlert, A.; Kellerbauer, A.; Kluge, H.J.; Kretzschmar, M.; Lunney, D.; Savreux, R.; Schwarz, Andreas S.; Schweikhard, L.; Yazidjian, C.

    2008-01-01

    High-precision Penning trap mass measurements on the stable nuclide $^{27}$Al as well as on the short-lived radionuclides $^{26}$Al and $^{38,39}$Ca have been performed by use of radio-frequency excitation with time-separated oscillatory fields, i.e. Ramsey's method, as recently introduced for the excitation of the ion motion in a Penning trap, was applied. A comparison with the conventional method of a single continuous excitation demonstrates its advantage of up to ten times shorter measurements. The new mass values of $^{26,27}$Al clarify conflicting data in this specific mass region. In addition, the resulting mass values of the superallowed $\\beta$-emitter $^{38}$Ca as well as of the groundstate of the $\\beta$-emitter $^{26}$Al$^{m}$ confirm previous measurements and corresponding theoretical corrections of the ft-values.

  16. Structures excited by heavy ions in 208Pb target. Interpretation involving giant resonances and multiphonon excitations

    International Nuclear Information System (INIS)

    Chomaz, P.

    1984-01-01

    Kinetic energy spectra of heavy fragments from the 36Ar+208Pb reaction at 11 MeV/n and 20 Ne+ 208 Pb at 30 MeV/n have been measured with a time of flight spectrometer. Numerous structures ranging up to 100 MeV excitation energy are observed in the inelastic and few nucleon transfer channels. These structures are shown to be due to an excitation of the 208 Pb target nucleus and not to decay products of excited ejectiles. Positions of low lying structures (E* 208 Pb. The linear response of the target nucleus to the external field created by the projectile is calculated microscopically in the Random Phase Approximation resolved using the Green's function method in coordinate space with a Skyrme interaction. In the independant quasi-boson approximation multiple phonon excitations reproduce the main features of the experimental data and appear as a plausible interpretation of the observed structures. The theoretical calculations and experimental observations suggest that multiphonon excitations play an important role in heavy ion reactions and contribute strongly to the kinetic energy dissipation [fr

  17. Assessment of charge-transfer excitations with time-dependent, range-separated density functional theory based on long-range MP2 and multiconfigurational self- consistent field wave functions

    DEFF Research Database (Denmark)

    Hedegård, Erik D.; Jensen, Hans Jørgen Aagaard; Knecht, Stefan

    2013-01-01

    -MC-srDFT) excitation energies calculated over a larger benchmark set of molecules with predominantly single reference character yield good agreement with their reference values, and are in general comparable to the CAM-B3LYP functional. The SOPPA-srDFT scheme is tested for a subset of molecules used for benchmarking...

  18. Adsorption properties of AlN on Si(111) surface: A density functional study

    Science.gov (United States)

    Yuan, Yinmei; Zuo, Ran; Mao, Keke; Tang, Binlong; Zhang, Zhou; Liu, Jun; Zhong, Tingting

    2018-04-01

    In the process of preparing GaN on Si substrate by MOCVD, an AlN buffer layer is very important. In this study, we conducted density functional theory calculations on the adsorption of AlN molecule on Si(111)-(2 × 2) surface, with the AlN molecule located horizontally or vertically above Si(111) surface at different adsorption sites. The calculations revealed that the lowest adsorption energy was at the N-top-Al-bridge site in the horizontal configuration, with the narrowest band gap, indicating that it was the most preferential adsorption growth status of AlN. In the vertical configurations, N adatom was more reactive and convenient to form bonds with the topmost Si atoms than Al adatom. When the N-end of the AlN molecule was located downward, the hollow site was the preferred adsorption site; when the Al-end was located downward, the bridge site was the most energetically favorable. Moreover, we investigated some electronic properties such as partial density of states, electron density difference, Mulliken populations, etc., revealing the microscale mechanism for AlN adsorption on Si(111) surface and providing theoretical support for adjusting the processing parameters during AlN or GaN production.

  19. Preparation of Al/Si functionally graded materials using ultrasonic separation method

    Directory of Open Access Journals (Sweden)

    Zhang Zhongtao

    2008-08-01

    Full Text Available Functionally graded materials (FGM have been widely used in many industries such as aerospace, energy and electronics. In this experimental study of fabricating FGM, an approach was developed to prepare Al/Si FGM using power ultrasonic separation method. Material sample with continuously changing composition and performance/properties was successfully produced. Results showed that the microstructure of the FGM sample transited, from its top to bottom, from the hypereutectic structure with a large quantity of primary Si gradually to the eutectic, and fi nally to the hypoeutectic with numerous primary Al dendrites. The distribution of primary Si and microhardness of the FGM sample also presented graded characteristics, resulting that the wear resistance of the FGM sample decreased from top to bottom. Preliminary discussion was made on the mechanism of the formation of Al/Si FGM.

  20. Observation of non-statistical structures in the excitation function of the reaction 10B(14N,12C)12C under extreme forward angles

    International Nuclear Information System (INIS)

    Klauss, E.U.

    1984-01-01

    In the present thesis the excitation functions of the reaction 10 B( 14 N, 12 C) 12 C to the ground states, the first excited state at 4.43 MeV (Jsup(π) = 2 1 + ) of a 12 C residual nucleus, and to the double excitation of ejectile and residue nucleus to the 4.43 state are studied. The measurements were performed in an energy range 13MeV 14 N) 0 (in the c.m. system). By a fitting to elastic scattering data the optical potential for 10 B+ 14 N was determined. With this potential it was tried by means of Hauser-Feshbach calculations to calculate the cross sections of the reaction 10 B( 14 N, 12 C) 12 C. The strong 16 + resonance and indications of 18 + in the excitation function of the reaction 10 B( 14 N, 12 Csub(g.s.)) 12 Csub(g.s.) should be pronounced. An unexpected large cross section was observed in the reaction 10 B( 14 N, 12 Csub(g.s.)) 12 C(4 1 + ). This is considered as a further indication to the strong contribution of a direct process. (orig./HSI) [de

  1. Excited-state formation as H+ and He+ ions scatter from metal surfaces

    International Nuclear Information System (INIS)

    Baird, W.E.; Zivitz, M.; Thomas, E.W.

    1975-01-01

    Impact of 10-to30KeV H + or He + ions on polycrystalline metal surfaces causes some projectiles to be backscattered in a neutral excited state. These projectiles subsequently radiatively decay, emitting Doppler-broadened spectral lines. By analysis of the spectral shape of these lines, we are able to determine the probability of radiationless deexcitation of the excited backscattered atoms. Quantitative measurements of spectral intensity indicate that less than 1% of all projectiles are backscattered in an excited state. The relative variation of total spectral line intensity with angle of projectile incidence and with projectile primary energy has been successfully predicted using a model which assumes that the probability for excited-state formation is independent of the scattered projectile's energy and direction. The variation in total spectral line intensity with target atomic number is predicted, and the sputtering and excitation of Al under He + impact is briefly examined

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

    Energy Technology Data Exchange (ETDEWEB)

    Egidi, Franco, E-mail: franco.egidi@sns.it; Segado, Mireia; Barone, Vincenzo, E-mail: vincenzo.barone@sns.it [Scuola Normale Superiore, Piazza dei Cavalieri, 7 I-56126 Pisa (Italy); Koch, Henrik [Department of Chemistry, Norwegian University of Science and Technology, 7491 Trondheim (Norway); Cappelli, Chiara [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via G. Moruzzi, 3 I-56124 Pisa (Italy)

    2014-12-14

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

  3. Seismic structural response analysis for multiple support excitation

    International Nuclear Information System (INIS)

    Shaw, D.E.

    1975-01-01

    In the seismic analysis of nuclear power plant equipment such as piping systems situations often arise in which piping systems span between adjacent structures or between different elevations in the same structure. Owing to the differences in the seismic time history response of different structures or different elevations of the same structure, the input support motion will differ for different supports. The concept of a frequency dependent participation factor and rotational response spectra accounting for phase differences between support excitations is developed by using classical equations of motion to formulate the seismic response of a structure subjected to multiple support excitation. The essence of the method lies in describing the seismic excitation of a multiply excited structure in terms of translational and rotational spectra used at every support and a frequency dependent spatial distribution function derived from the phase relationships of the different support time histories. In this manner it is shown that frequency dependent participation factors can be derived from the frequency dependent distribution functions. Examples are shown and discussed relative to closed form solutions and the state-of-the-art techniques presently being used for the solution of problems of multiply excited structures

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

    International Nuclear Information System (INIS)

    Carnelli, P. F. F.; Arazi, A.; Cardona, M. A.; Figueira, J. M.; Hojman, D.; Martinez Heimann, D.; Negri, A. E.; Pacheco, A. J.; Abriola, D.; Capurro, O. A.; Fimiani, L.; Grinberg, P.; Marti, G. V.; Fernandez Niello, J. O.

    2010-01-01

    We have measured elastic excitation functions for the 7 Li+ 27 Al system, in an energy range close to its Coulomb barrier (E 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 α particles), a telescope-detector was used for atomic-number identification. Identical measurements for the 6 Li+ 27 Al system are planned for the near future.

  5. Generalized oscillator strengths for some higher valence-shell excitations of krypton atom

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The valence-shell excitations of krypton atom have been investigated by fast electron impact with an angle-resolved electron-energy-loss spectrometer. The generalized oscillator strengths for some higher mixed valence-shell excitations in 4d, 4f, 5p, 5d, 6s, 6p, 7s ← 4p of krypton atom have been determined. Their profiles are discussed, and the generalized oscillator strengths for the electric monopole and quadrupole excitations in 5p ← 4p are compared with the calculations of Amusia et al. (Phys. Rev. A 67 022703 (2003)). The differences between the experimental results and theoretical calculations show that more studies are needed.

  6. Coulomb excitation of atoms by fast multicharged ions

    International Nuclear Information System (INIS)

    Yudin, G.L.

    1980-01-01

    Investigated is coulomb eXcitation of discrete levels of a hydrogen-like atom by a fast multicharged ion. Obtained are dependences of probabilities of channels 1S→nS and 1S→nP on the sight parameter in the zero order of sudden excitation theory. 1S-2S transition is considered in detail. Carried out are calculations for excitation of the hydrogen atom by the wholy bare carbon atom. It is shown, that at low values of excitation pr.ocess parameter eta excitation probability is a monotonously decreasing function of the impact parameter. With the growth of eta the situation is changed, and at low impact parameters the probability of 1S-2S transition is decreased. At high impact parameters approximation of sudden excitations is unacceptable, here lagging of coulomb interaction is essential

  7. Orthodontic treatment-induced temporal alteration of jaw-opening reflex excitability.

    Science.gov (United States)

    Sasaki, Au; Hasegawa, Naoya; Adachi, Kazunori; Sakagami, Hiroshi; Suda, Naoto

    2017-10-01

    The impairment of orofacial motor function during orthodontic treatment needs to be addressed, because most orthodontic patients experience pain and motor excitability would be affected by pain. In the present study, the temporal alteration of the jaw-opening reflex excitability was investigated to determine if orthodontic treatment affects orofacial motor function. The excitability of jaw-opening reflex evoked by electrical stimulation on the gingiva and recorded bilaterally in the anterior digastric muscles was evaluated at 1 (D1), 3 (D3), and 7 days (D7) after orthodontic force application to the teeth of right side; morphological features (e.g., osteoclast genesis and tooth movement) were also evaluated. To clarify the underlying mechanism of orthodontic treatment-induced alteration of orofacial motor excitability, analgesics were administrated for 1 day. At D1 and D3, orthodontic treatment significantly decreased the threshold for inducing the jaw-opening reflex but significantly increased the threshold at D7. Other parameters of the jaw-opening reflex were also evaluated (e.g., latency, duration and area under the curve of anterior digastric muscles activity), and only the latency of the D1 group was significantly different from that of the other groups. Temporal alteration of the jaw-opening reflex excitability was significantly correlated with changes in morphological features. Aspirin (300 mg·kg -1 ·day -1 ) significantly increased the threshold for inducing the jaw-opening reflex, whereas a lower dose (75-150 mg·kg -1 ·day -1 ) of aspirin or acetaminophen (300 mg·kg -1 ·day -1 ) failed to alter the jaw-opening reflex excitability. These results suggest that an increase of the jaw-opening reflex excitability can be induced acutely by orthodontic treatment, possibly through the cyclooxygenase activation. NEW & NOTEWORTHY It is well known that motor function is affected by pain, but the effect of orthodontic treatment-related pain on the trigeminal

  8. Synchronization of chaos in non-identical parametrically excited systems

    International Nuclear Information System (INIS)

    Idowu, B.A.; Vincent, U.E.; Njah, A.N.

    2009-01-01

    In this paper, we investigate the synchronization of chaotic systems consisting of non-identical parametrically excited oscillators. The active control technique is employed to design control functions based on Lyapunov stability theory and Routh-Hurwitz criteria so as to achieve global chaos synchronization between a parametrically excited gyroscope and each of the parametrically excited pendulum and Duffing oscillator. Numerical simulations are implemented to verify the results.

  9. Hydrological excitation of polar motion by different variables from the GLDAS models

    Science.gov (United States)

    Winska, Malgorzata; Nastula, Jolanta; Salstein, David

    2017-12-01

    Continental hydrological loading by land water, snow and ice is a process that is important for the full understanding of the excitation of polar motion. In this study, we compute different estimations of hydrological excitation functions of polar motion (as hydrological angular momentum, HAM) using various variables from the Global Land Data Assimilation System (GLDAS) models of the land-based hydrosphere. The main aim of this study is to show the influence of variables from different hydrological processes including evapotranspiration, runoff, snowmelt and soil moisture, on polar motion excitations at annual and short-term timescales. Hydrological excitation functions of polar motion are determined using selected variables of these GLDAS realizations. Furthermore, we use time-variable gravity field solutions from the Gravity Recovery and Climate Experiment (GRACE) to determine the hydrological mass effects on polar motion excitation. We first conduct an intercomparison of the maps of variations of regional hydrological excitation functions, timing and phase diagrams of different regional and global HAMs. Next, we estimate the hydrological signal in geodetically observed polar motion excitation as a residual by subtracting the contributions of atmospheric angular momentum and oceanic angular momentum. Finally, the hydrological excitations are compared with those hydrological signals determined from residuals of the observed polar motion excitation series. The results will help us understand the relative importance of polar motion excitation within the individual hydrological processes, based on hydrological modeling. This method will allow us to estimate how well the polar motion excitation budget in the seasonal and inter-annual spectral ranges can be closed.

  10. Can Measured Synergy Excitations Accurately Construct Unmeasured Muscle Excitations?

    Science.gov (United States)

    Bianco, Nicholas A; Patten, Carolynn; Fregly, Benjamin J

    2018-01-01

    Accurate prediction of muscle and joint contact forces during human movement could improve treatment planning for disorders such as osteoarthritis, stroke, Parkinson's disease, and cerebral palsy. Recent studies suggest that muscle synergies, a low-dimensional representation of a large set of muscle electromyographic (EMG) signals (henceforth called "muscle excitations"), may reduce the redundancy of muscle excitation solutions predicted by optimization methods. This study explores the feasibility of using muscle synergy information extracted from eight muscle EMG signals (henceforth called "included" muscle excitations) to accurately construct muscle excitations from up to 16 additional EMG signals (henceforth called "excluded" muscle excitations). Using treadmill walking data collected at multiple speeds from two subjects (one healthy, one poststroke), we performed muscle synergy analysis on all possible subsets of eight included muscle excitations and evaluated how well the calculated time-varying synergy excitations could construct the remaining excluded muscle excitations (henceforth called "synergy extrapolation"). We found that some, but not all, eight-muscle subsets yielded synergy excitations that achieved >90% extrapolation variance accounted for (VAF). Using the top 10% of subsets, we developed muscle selection heuristics to identify included muscle combinations whose synergy excitations achieved high extrapolation accuracy. For 3, 4, and 5 synergies, these heuristics yielded extrapolation VAF values approximately 5% lower than corresponding reconstruction VAF values for each associated eight-muscle subset. These results suggest that synergy excitations obtained from experimentally measured muscle excitations can accurately construct unmeasured muscle excitations, which could help limit muscle excitations predicted by muscle force optimizations.

  11. Theoretical research relating to excitation spectrum of furan. Application of integral direct coupled cluster linear response (direct CCLR) method; Furan no reiki supekutoru ni kansuru ronriteki kenkyu. Integral-direct Coupled Cluster Linear Response (direct CCLR) ho no tekiyo

    Energy Technology Data Exchange (ETDEWEB)

    Shigemitsu, Yasuhiro. [Nagasaki Industrial Technology Center, Nagasaki (Japan)

    1999-07-01

    heoretical researches relating to excitation spectrum of furan have been carried out for many years, and they reveal the problems that should be solved in order to predict highly reliable excitation energy. In general, it is difficult to uniformly obtain highly reliable calculation results for all excitation states since different excitation states show different electronic correlative effects. Means for obtaining the electron states in ground state and excited state and calculating the energy difference thereof is the mainstream of the theoretical calculation of the excitation energy. CASSCF/CASPT 2 developed by Roos et al. is a typical method excellent in quantitative description. Recently, the comparison between direct CCLR and CASSCF/CASPT 2 as examples for calculating the excitation spectrum of furan was carried out by using the same ground function. For Rydberg excitation, CC3, CAS, CASPT 2 show good agreement with each other. (NEDO)

  12. Numerical optimization of piezolaminated beams under static and dynamic excitations

    Directory of Open Access Journals (Sweden)

    Rajan L. Wankhade

    2017-06-01

    Full Text Available Shape and vibration controls of smart structures in structural applications have gained much attraction due to their ability of actuation and sensing. The response of structure to bending, vibration, and buckling can be controlled by the use of this ability of a piezoelectric material. In the present work, the static and dynamic control of smart piezolaminated beams is presented. The optimal locations of piezoelectric patches are found out and then a detailed analysis is performed using finite element modeling considering the higher order shear deformation theory. In the first part, for an extension mode, the piezolaminated beam with stacking sequence PZT5/Al/PZT5 is considered. The length of the beam is 100 mm, whereas the thickness of an aluminum core is 16 mm and that of the piezo layer is of 1 mm. The PZT actuators are positioned with an identical poling direction along the thickness and are excited by a direct current voltage of 10 V. For the shear mode, the stacking sequence Al/PZT5/Al is adopted. The length of the beam is kept the same as the extension mechanism i.e. 100 mm, whereas the thickness of the aluminum core is 8 mm and that of the piezo layer is of 2 mm. The actuator is excited by a direct current voltage of 20 V. In the second part, the control of the piezolaminated beam with an optimal location of the actuator is investigated under a dynamic excitation. Electromechanical loading is considered in the finite element formulation for the analysis purpose. Results are provided for beams with different boundary conditions and loading for future references. Both the extension and shear actuation mechanisms are employed for the piezolaminated beam. These results may be used to identify the response of a beam under static and dynamic excitations. From the present work, the optimal location of a piezoelectric patch can be easily identified for the corresponding boundary condition of the beam.

  13. Charge-resonance excitations in symmetric molecules - Comparison of linear response DFT with CC3 for the excited states of a model dimer

    DEFF Research Database (Denmark)

    Kuhlman, Thomas Scheby; Mikkelsen, Kurt V.; Møller, Klaus Braagaard

    2009-01-01

    to a reference CC3 calculation revealing a better description of the excited states by CAM-B3LYP than that of B3LYP. The Λ parameter introduced by Peach et al. [M.J.G. Peach, P. Benfield, T. Helgaker, D.J. Tozer, J. Chem. Phys. 128 (2008) 044118] does not always reveal the problematic charge-resonance states...

  14. Excitation dynamics and relaxation in a molecular heterodimer

    International Nuclear Information System (INIS)

    Balevičius, V.; Gelzinis, A.; Abramavicius, D.; Mančal, T.; Valkunas, L.

    2012-01-01

    Highlights: ► Dynamics of excitation within a heterogenous molecular dimer. ► Excited states can be swapped due to different reorganization energies of monomers. ► Conventional excitonic basis becomes renormalized due to interaction with the bath. ► Relaxation is independent of mutual positioning of monomeric excited states. -- Abstract: The exciton dynamics in a molecular heterodimer is studied as a function of differences in excitation and reorganization energies, asymmetry in transition dipole moments and excited state lifetimes. The heterodimer is composed of two molecules modeled as two-level systems coupled by the resonance interaction. The system-bath coupling is taken into account as a modulating factor of the molecular excitation energy gap, while the relaxation to the ground state is treated phenomenologically. Comparison of the description of the excitation dynamics modeled using either the Redfield equations (secular and full forms) or the Hierarchical quantum master equation (HQME) is demonstrated and discussed. Possible role of the dimer as an excitation quenching center in photosynthesis self-regulation is discussed. It is concluded that the system-bath interaction rather than the excitonic effect determines the excitation quenching ability of such a dimer.

  15. Increasing Mud Pump Motor Reliability against Malfunctions of DC Motor Excitation System

    Science.gov (United States)

    Nikulin, O. V.; Shabanov, V. A.

    2017-10-01

    The most widely used drilling machinery, such as mud pumps, draw-works, and rotors, use direct-current (DC) motors with independent excitation as the electric drive. Drilling machinery drives operate in harsh ambient conditions, including those with the presence of moisture, dust and vibration, which increases the malfunction rate of both drilling equipment and their electric drives. One of the frequently encountered malfunctions are DC motor excitation coil faults, which disrupt the normal functioning of electric drives, often leading to shutdown of the drilling process. In a four-pole DC motor, the malfunction of one coil leads to lack of excitation current in just one coil pair, while the other pair remains functional. In this case, DC motors and drilling equipment can remain operational, which would allow for continuing the drilling process. This paper considers the possibility of operation of a DC motor on a drilling rig in those cases when one pair of excitation coils is non-functional, and describes the device for switching between the excitation coils and the auxiliary winding in a DC motor with independent excitation.

  16. Cryogenic exciter

    Science.gov (United States)

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

    2012-03-13

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

  17. Experimental studies on excitation functions of the proton-induced activation reactions on silver

    International Nuclear Information System (INIS)

    Uddin, M.S.; Hagiwara, M.; Baba, M.; Tarkanyi, F.; Ditroi, F.

    2005-01-01

    Excitation functions were measured for the production of 106m,105 Ag, 103,101,100 Pd, 105,102,101m,100,99 Rh and 97 Ru via proton-induced activation reactions on natural silver using a stacked foil technique in the energy range 11-80 MeV. The residual activity measurements were carried out nondestructively by the high-resolution HPGe γ-ray spectroscopy. Thick target integral yields were deduced using the measured cross-sections from the respective threshold energies of the investigated reactions up to 80 MeV. The present work gives new results for the investigated radionuclides. The data in MENDL-2P deduced with the theoretical model code ALICE-IPPE are consistent in shape with the measured values, but show disagreement in magnitude

  18. Construction of energy loss function for low-energy electrons in helium

    Energy Technology Data Exchange (ETDEWEB)

    Dayashankar, [Bhabha Atomic Research Centre, Bombay (India). Div. of Radiation Protection

    1976-02-01

    The energy loss function for electrons in the energy range from 50 eV to 1 keV in helium gas has been constructed by considering separately the energy loss in overcoming the ionization threshold, the loss manifested as kinetic energy of secondary electrons and the loss in the discrete state excitations. This has been done by utilizing recent measurements of Opal et al. on the energy spectrum of secondary electrons and incorporating the experimental data on cross sections for twenty-four excited states. The present results of the energy loss function are in good agreement with the Bethe formula for energies above 500 eV. For lower energies, where the Bethe formula is not applicable, the present results should be particularly useful.

  19. Accelerated Time-Domain Modeling of Electromagnetic Pulse Excitation of Finite-Length Dissipative Conductors over a Ground Plane via Function Fitting and Recursive Convolution

    Energy Technology Data Exchange (ETDEWEB)

    Campione, Salvatore [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Warne, Larry K. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sainath, Kamalesh [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Basilio, Lorena I. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-10-01

    In this report we overview the fundamental concepts for a pair of techniques which together greatly hasten computational predictions of electromagnetic pulse (EMP) excitation of finite-length dissipative conductors over a ground plane. In a time- domain, transmission line (TL) model implementation, predictions are computationally bottlenecked time-wise, either for late-time predictions (about 100ns-10000ns range) or predictions concerning EMP excitation of long TLs (order of kilometers or more ). This is because the method requires a temporal convolution to account for the losses in the ground. Addressing this to facilitate practical simulation of EMP excitation of TLs, we first apply a technique to extract an (approximate) complex exponential function basis-fit to the ground/Earth's impedance function, followed by incorporating this into a recursion-based convolution acceleration technique. Because the recursion-based method only requires the evaluation of the most recent voltage history data (versus the entire history in a "brute-force" convolution evaluation), we achieve necessary time speed- ups across a variety of TL/Earth geometry/material scenarios. Intentionally Left Blank

  20. On the description of the (HI, xn) reaction excitation functions for the case of weakly fissioning compound nuclei

    International Nuclear Information System (INIS)

    Kamanin, V.V.; Karamyan, S.A.

    1980-01-01

    A possibility to obtain parameters of nuclear temperature and critical angular momentum for the compound nucleus production on the base of the (HI, xn) reaction excitation function description are considered for the case of weakly fissioning nuclei. Experimental data on 152 Sm( 12 C, 2n) 162 Er, 148 Nd( 16 O, 3n) 161 Er, sup(150)Nd(sup(16)O, 3-5n)sup(163-161)Er, sup(148)Nd(sup(18)O, 4-5n)sup(162,161)Er, sup(118)Sn(sup(40)Ar, 5-6n)sup(153,152)Er and sup(74)Ge(sup(84)Kr, 5-6n)sup(153,152)Er reactions are discussed. The formulae, taking into accout the distribution of compound nuclei in angular momentum and competition between channels of the neutron and γ-ray emission, are given. The formulae are applied for the description of the excitation functions, characterized by a good accuracy of the particle energy measuring. A satisfactory accordance between the calculation and experiment is achieved. The conclusion on sensitivity of the nuclear temperature values to exact evaluation of competition between the neutron and γ-ray emission channels is drawn

  1. Pure odd-order oscillators with constant excitation

    Science.gov (United States)

    Cveticanin, L.

    2011-02-01

    In this paper the excited vibrations of a truly nonlinear oscillator are analyzed. The excitation is assumed to be constant and the nonlinearity is pure (without a linear term). The mathematical model is a second-order nonhomogeneous differential equation with strong nonlinear term. Using the first integral, the exact value of period of vibration i.e., angular frequency of oscillator described with a pure nonlinear differential equation with constant excitation is analytically obtained. The closed form solution has the form of gamma function. The period of vibration depends on the value of excitation and of the order and coefficient of the nonlinear term. For the case of pure odd-order-oscillators the approximate solution of differential equation is obtained in the form of trigonometric function. The solution is based on the exact value of period of vibration. For the case when additional small perturbation of the pure oscillator acts, the so called 'Cveticanin's averaging method' for a truly nonlinear oscillator is applied. Two special cases are considered: one, when the additional term is a function of distance, and the second, when damping acts. To prove the correctness of the method the obtained results are compared with those for the linear oscillator. Example of pure cubic oscillator with constant excitation and linear damping is widely discussed. Comparing the analytically obtained results with exact numerical ones it is concluded that they are in a good agreement. The investigations reported in the paper are of special interest for those who are dealing with the problem of vibration reduction in the oscillator with constant excitation and pure nonlinear restoring force the examples of which can be found in various scientific and engineering systems. For example, such mechanical systems are seats in vehicles, supports for machines, cutting machines with periodical motion of the cutting tools, presses, etc. The examples can be find in electronics

  2. Ecological strategies of Al-accumulating and non-accumulating functional groups from the cerrado sensu stricto

    Directory of Open Access Journals (Sweden)

    Marcelo C. de Souza

    2015-06-01

    Full Text Available The cerrado's flora comprises aluminum-(Al accumulating and non-accumulating plants, which coexist on acidic and Al-rich soils with low fertility. Despite their existence, the ecological importance or biological strategies of these functional groups have been little explored. We evaluated the leaf flushing patterns of both groups throughout a year; leaf concentrations of N, P, K, Ca, Mg, S, Al, total flavonoids and polyphenols; as well as the specific leaf area (SLA on young and mature leaves within and between the groups. In Al-accumulating plants, leaf flushed throughout the year, mainly in May and September; for non-accumulating plants, leaf flushing peaked at the dry-wet seasons transition. However, these behaviors could not be associated with strategies for building up concentrations of defense compounds in leaves of any functional groups. Al-accumulating plants showed low leaf nutrient concentrations, while non-accumulating plants accumulated more macronutrients and produced leaves with high SLA since the juvenile leaf phase. This demonstrates that the increase in SLA is slower in Al-accumulating plants that are likely to achieve SLA values comparable to the rest of the plant community only in the wet season, when sunlight capture is important for the growth of new branches.

  3. Ecological strategies of Al-accumulating and non-accumulating functional groups from the cerrado sensu stricto.

    Science.gov (United States)

    Souza, Marcelo C de; Bueno, Paula C P; Morellato, Leonor P C; Habermann, Gustavo

    2015-01-01

    The cerrado's flora comprises aluminum-(Al) accumulating and non-accumulating plants, which coexist on acidic and Al-rich soils with low fertility. Despite their existence, the ecological importance or biological strategies of these functional groups have been little explored. We evaluated the leaf flushing patterns of both groups throughout a year; leaf concentrations of N, P, K, Ca, Mg, S, Al, total flavonoids and polyphenols; as well as the specific leaf area (SLA) on young and mature leaves within and between the groups. In Al-accumulating plants, leaf flushed throughout the year, mainly in May and September; for non-accumulating plants, leaf flushing peaked at the dry-wet seasons transition. However, these behaviors could not be associated with strategies for building up concentrations of defense compounds in leaves of any functional groups. Al-accumulating plants showed low leaf nutrient concentrations, while non-accumulating plants accumulated more macronutrients and produced leaves with high SLA since the juvenile leaf phase. This demonstrates that the increase in SLA is slower in Al-accumulating plants that are likely to achieve SLA values comparable to the rest of the plant community only in the wet season, when sunlight capture is important for the growth of new branches.

  4. Method of the reduced-added Green function in the calculation of atomic polarizabilities

    International Nuclear Information System (INIS)

    Chernov, V.E.; Dorofeev, D.L.; Kretinin, I.Yu.; Zon, B.A.

    2005-01-01

    The Green function in the quantum defect theory provides an exact account for high-excited and continuum electronic states. We modify it by taking into account the ground and low-excited states using their wave functions calculated ab initio. As an application, we present a simple and efficient semianalytical method for the calculation of atomic electric frequency-dependent scalar dipole polarizability, for both real and imaginary frequencies. The polarizabilities calculated for some atoms (Li, Na, K, Be, Mg, Ca, Si, P, S, O, Al, Ge, C, N, F, He, Ne, Ar, Kr, and Xe) are compared with existing methods of computational quantum chemistry and with experiments; good accuracy of the proposed method is demonstrated

  5. The photoluminescence of Co-Al-layered double hydroxide

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    We report a new optical behaviour of pure Co-Al-layered double hydroxide (LDH). It was found that the Co-Al-LDH sample could emit fluorescence without any fluorescent substances intercalated. Its excitation spectrum shows a maximum peak near the wavelength 370 nm, the maximum emission peak appears at 430 nm and the photoluminescence colour of the Co-Al-LDH sample is blue. This new optical property will be expected to extend the potential applications of LDHs in optical materials field.

  6. Investigations of the potential functions of weakly bound diatomic molecules and laser-assisted excitive Penning ionization

    Energy Technology Data Exchange (ETDEWEB)

    Goble, J.H. Jr.

    1982-05-01

    Three variations on the Dunham series expansion function of the potential of a diatomic molecule are compared. The differences among these expansions lie in the choice of the expansion variable, lambda. The functional form of these variables are lambda/sub s/ = l-r/sub e//r for the Simon-Parr-Finlan version, lambda/sub T/ - 1-(r/sub e//r)/sup p/ for that of Thakkar, and lambda/sub H/ = 1-exp(-rho(r/r/sub e/-1) for that of Huffaker. A wide selection of molecular systems are examined. It is found that, for potentials in excess of thirty kcal/mole, the Huffaker expansion provides the best description of the three, extrapolating at large internuclear separation to a value within 10% of the true dissociation energy. For potentials that result from the interaction of excited states, all series expansions show poor behavior away from the equilibrium internuclear separation of the molecule. The series representation of the potentials of weakly bound molecules are examined in more detail. The ground states of BeAr/sup +/, HeNe/sup +/, NaAr, and Ar/sub 2/ and the excited states of HeNe+, NaNe, and NaAr are best described by the Thakkar expansion. Finally, the observation of laser-assisted excitive Penning ionization in a flowing afterglow is reported. The reaction Ar(/sup 3/P/sub 2/) + Ca + h nu ..-->.. Ar + Ca/sup +/(5p /sup 2/P/sub J/) + e/sup -/ occurs when the photon energy, h nu, is approximately equal to the energy difference between the metastable argon and one of the fine structure levels of the ion's doublet. By monitoring the cascade fluorescence of the above reaction and comparing it to the flourescence from the field-free process Ar(/sup 3/P/sub 2/) + Ca ..-->.. Ar + Ca/sup +/(4p /sup 2/P/sub J/) + e/sup -/ a surprisingly large cross section of 6.7 x 10/sup 3/ A/sup 2/ is estimated.

  7. Investigations of the potential functions of weakly bound diatomic molecules and laser-assisted excitive Penning ionization

    International Nuclear Information System (INIS)

    Goble, J.H. Jr.

    1982-05-01

    Three variations on the Dunham series expansion function of the potential of a diatomic molecule are compared. The differences among these expansions lie in the choice of the expansion variable, lambda. The functional form of these variables are lambda/sub s/ = l-r/sub e//r for the Simon-Parr-Finlan version, lambda/sub T/ - 1-(r/sub e//r)/sup p/ for that of Thakkar, and lambda/sub H/ = 1-exp(-rho(r/r/sub e/-1) for that of Huffaker. A wide selection of molecular systems are examined. It is found that, for potentials in excess of thirty kcal/mole, the Huffaker expansion provides the best description of the three, extrapolating at large internuclear separation to a value within 10% of the true dissociation energy. For potentials that result from the interaction of excited states, all series expansions show poor behavior away from the equilibrium internuclear separation of the molecule. The series representation of the potentials of weakly bound molecules are examined in more detail. The ground states of BeAr + , HeNe + , NaAr, and Ar 2 and the excited states of HeNe+, NaNe, and NaAr are best described by the Thakkar expansion. Finally, the observation of laser-assisted excitive Penning ionization in a flowing afterglow is reported. The reaction Ar( 3 P 2 ) + Ca + h nu → Ar + Ca + (5p 2 P/sub J/) + e - occurs when the photon energy, h nu, is approximately equal to the energy difference between the metastable argon and one of the fine structure levels of the ion's doublet. By monitoring the cascade fluorescence of the above reaction and comparing it to the flourescence from the field-free process Ar( 3 P 2 ) + Ca → Ar + Ca + (4p 2 P/sub J/) + e - a surprisingly large cross section of 6.7 x 10 3 A 2 is estimated

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

    Science.gov (United States)

    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.

  9. On Emulation of Flueric Devices in Excitable Chemical Medium.

    Science.gov (United States)

    Adamatzky, Andrew

    2016-01-01

    Flueric devices are fluidic devices without moving parts. Fluidic devices use fluid as a medium for information transfer and computation. A Belousov-Zhabotinsky (BZ) medium is a thin-layer spatially extended excitable chemical medium which exhibits travelling excitation wave-fronts. The excitation wave-fronts transfer information. Flueric devices compute via jets interaction. BZ devices compute via excitation wave-fronts interaction. In numerical model of BZ medium we show that functions of key flueric devices are implemented in the excitable chemical system: signal generator, and, xor, not and nor Boolean gates, delay elements, diodes and sensors. Flueric devices have been widely used in industry since late 1960s and are still employed in automotive and aircraft technologies. Implementation of analog of the flueric devices in the excitable chemical systems opens doors to further applications of excitation wave-based unconventional computing in soft robotics, embedded organic electronics and living technologies.

  10. On Emulation of Flueric Devices in Excitable Chemical Medium.

    Directory of Open Access Journals (Sweden)

    Andrew Adamatzky

    Full Text Available Flueric devices are fluidic devices without moving parts. Fluidic devices use fluid as a medium for information transfer and computation. A Belousov-Zhabotinsky (BZ medium is a thin-layer spatially extended excitable chemical medium which exhibits travelling excitation wave-fronts. The excitation wave-fronts transfer information. Flueric devices compute via jets interaction. BZ devices compute via excitation wave-fronts interaction. In numerical model of BZ medium we show that functions of key flueric devices are implemented in the excitable chemical system: signal generator, and, xor, not and nor Boolean gates, delay elements, diodes and sensors. Flueric devices have been widely used in industry since late 1960s and are still employed in automotive and aircraft technologies. Implementation of analog of the flueric devices in the excitable chemical systems opens doors to further applications of excitation wave-based unconventional computing in soft robotics, embedded organic electronics and living technologies.

  11. Extended Lagrangian Excited State Molecular Dynamics.

    Science.gov (United States)

    Bjorgaard, J A; Sheppard, D; Tretiak, S; Niklasson, A M N

    2018-02-13

    An extended Lagrangian framework for excited state molecular dynamics (XL-ESMD) using time-dependent self-consistent field theory is proposed. The formulation is a generalization of the extended Lagrangian formulations for ground state Born-Oppenheimer molecular dynamics [Phys. Rev. Lett. 2008 100, 123004]. The theory is implemented, demonstrated, and evaluated using a time-dependent semiempirical model, though it should be generally applicable to ab initio theory. The simulations show enhanced energy stability and a significantly reduced computational cost associated with the iterative solutions of both the ground state and the electronically excited states. Relaxed convergence criteria can therefore be used both for the self-consistent ground state optimization and for the iterative subspace diagonalization of the random phase approximation matrix used to calculate the excited state transitions. The XL-ESMD approach is expected to enable numerically efficient excited state molecular dynamics for such methods as time-dependent Hartree-Fock (TD-HF), Configuration Interactions Singles (CIS), and time-dependent density functional theory (TD-DFT).

  12. Multiply excited molecules produced by photon and electron interactions

    International Nuclear Information System (INIS)

    Odagiri, T.; Kouchi, N.

    2006-01-01

    The photon and electron interactions with molecules resulting in the formation of multiply excited molecules and the subsequent decay are subjects of great interest because the independent electron model and Born-Oppenheimer approximation are much less reliable for the multiply excited states of molecules than for the ground and lower excited electronic states. We have three methods to observe and investigate multiply excited molecules: 1) Measurements of the cross sections for the emission of fluorescence emitted by neutral fragments in the photoexcitation of molecules as a function of incident photon energy [1-3], 2) Measurements of the electron energy-loss spectra tagged with the fluorescence photons emitted by neutral fragments [4], 3) Measurements of the cross sections for generating a pair of photons in absorption of a single photon by a molecule as a function of incident photon energy [5-7]. Multiply excited states degenerate with ionization continua, which make a large contribution in the cross section curve involving ionization processes. The key point of our methods is hence that we measure cross sections free from ionization. The feature of multiply excited states is noticeable in such a cross section curve. Recently we have measured: i) the cross sections for the emission of the Lyman- fluorescence in the photoexcitation of CH 4 as a function of incident photon energy in the range 18-51 eV, ii) the electron energy-loss spectrum of CH 4 tagged with the Lyman-photons at 80 eV incident electron energy and 10 electron scattering angle in the range of the energy loss 20-45 eV, in order to understand the formation and decay of the doubly excited methane in photon and electron interactions. [8] The results are summarized in this paper and the simultaneous excitation of two electrons by electron interaction is compared with that by photon interaction in terms of the oscillator strength. (authors)

  13. Cerebro-Cerebellar Functional Connectivity is Associated with Cerebellar Excitation-Inhibition Balance in Autism Spectrum Disorder.

    Science.gov (United States)

    Hegarty, John P; Weber, Dylan J; Cirstea, Carmen M; Beversdorf, David Q

    2018-05-23

    Atypical functional connectivity (FC) and an imbalance of excitation-to-inhibition (E/I) have been previously reported in cerebro-cerebellar circuits in autism spectrum disorder (ASD). The current investigation used resting state fMRI and proton magnetic resonance spectroscopy ( 1 H-MRS) to examine the relationships between E/I (glutamate + glutamine/GABA) and FC of the dorsolateral prefrontal cortex and posterolateral cerebellar hemisphere from 14 adolescents/adults with ASD and 12 age/sex/IQ-matched controls. In this pilot sample, cerebro-cerebellar FC was positively associated with cerebellar E/I and listening comprehension abilities in individuals with ASD but not controls. Additionally, a subgroup of individuals with ASD and low FC (n = 5) exhibited reduced E/I and impaired listening comprehension. Thus, altered functional coherence of cerebro-cerebellar circuits in ASD may be related with a cerebellar E/I imbalance.

  14. Transition and Electron Impact Excitation Collision Rates for O III

    Science.gov (United States)

    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.

  15. The role of electron-impact vibrational excitation in electron transport through gaseous tetrahydrofuran

    Energy Technology Data Exchange (ETDEWEB)

    Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Do, T. P. T. [School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City (Viet Nam); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Konovalov, D. A.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville (Australia); Brunger, M. J., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Jones, D. B., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia)

    2015-03-28

    In this paper, we report newly derived integral cross sections (ICSs) for electron impact vibrational excitation of tetrahydrofuran (THF) at intermediate impact energies. These cross sections extend the currently available data from 20 to 50 eV. Further, they indicate that the previously recommended THF ICS set [Garland et al., Phys. Rev. A 88, 062712 (2013)] underestimated the strength of the electron-impact vibrational excitation processes. Thus, that recommended vibrational cross section set is revised to address those deficiencies. Electron swarm transport properties were calculated with the amended vibrational cross section set, to quantify the role of electron-driven vibrational excitation in describing the macroscopic swarm phenomena. Here, significant differences of up to 17% in the transport coefficients were observed between the calculations performed using the original and revised cross section sets for vibrational excitation.

  16. Gross resonance-like structure of the complete fusion excitation function for the 16O + 28Si reaction

    International Nuclear Information System (INIS)

    Zheng Jiwen; Zheng Pingzi; Liu Guoxing

    1993-01-01

    The complete fusion excitation function for the 16 O + 28 Si reaction is measured in the incident energy range from 50 to 90 MeV with step of 1.0 MeV using a position sensitive ΔE-E telescope system. The striking gross resonance-like structure is observed when E c.m. c.m. 34.5, 38.5 and 43.0 MeV respectively. The structure vanishes gradually when E c.m. > 46.0 MeV

  17. Harmonically excited orbital variations

    International Nuclear Information System (INIS)

    Morgan, T.

    1985-01-01

    Rephrasing the equations of motion for orbital maneuvers in terms of Lagrangian generalized coordinates instead of Newtonian rectangular cartesian coordinates can make certain harmonic terms in the orbital angular momentum vector more readily apparent. In this formulation the equations of motion adopt the form of a damped harmonic oscillator when torques are applied to the orbit in a variationally prescribed manner. The frequencies of the oscillator equation are in some ways unexpected but can nonetheless be exploited through resonant forcing functions to achieve large secular variations in the orbital elements. Two cases are discussed using a circular orbit as the control case: (1) large changes in orbital inclination achieved by harmonic excitation rather than one impulsive velocity change, and (2) periodic and secular changes to the longitude of the ascending node using both stable and unstable excitation strategies. The implications of these equations are also discussed for both artificial satellites and natural satellites. For the former, two utilitarian orbits are suggested, each exploiting a form of harmonic excitation. 5 refs

  18. Flow-excited acoustic resonance excitation mechanism, design guidelines, and counter measures

    International Nuclear Information System (INIS)

    Ziada, Samir; Lafon, Philippe

    2014-01-01

    The excitation mechanism of acoustic resonances has long been recognized, but the industry continues to be plagued by its undesirable consequences, manifested in severe vibration and noise problems in a wide range of industrial applications. This paper focuses on the nature of the excitation mechanism of acoustic resonances in piping systems containing impinging shear flows, such as flow over shallow and deep cavities. Since this feedback mechanism is caused by the coupling between acoustic resonators and shear flow instabilities, attention is focused first on the nature of various types of acoustic resonance modes and then on the aero-acoustic sound sources, which result from the interaction of the inherently unstable shear flow with the sound field generated by the resonant acoustic modes. Various flow-sound interaction patterns are discussed, in which the resonant sound field can be predominantly parallel or normal to the mean flow direction and the acoustic wavelength can be an order of magnitude longer than the length scale of the separated shear flow or as short as the cavity length scale. Since the state of knowledge in this field has been recently reviewed by Tonon et al. (2011, 'Aero-acoustics of Pipe Systems With Closed Branches', Int. J. Aeroacoust., 10(2), pp. 201-276), this article focuses on the more practical aspects of the phenomenon, including various flow sound interaction patterns and the resulting aero-acoustic sources, which are relevant to industrial applications. A general design guide proposal and practical means to alleviate the excitation mechanism are also presented. These are demonstrated by two examples of recent industrial case histories dealing with acoustic fatigue failure of the steam dryer in a boiling water reactor (BWR) due to acoustic resonance in the main steam piping and acoustic resonances in the roll posts of the Short Take-Off and Vertical Lift Joint Strike Fighter (JSF). (authors)

  19. Nerve conduction and excitability studies in peripheral nerve disorders

    DEFF Research Database (Denmark)

    Krarup, Christian; Moldovan, Mihai

    2009-01-01

    counterparts in the peripheral nervous system, in some instances without peripheral nervous system symptoms. Both hereditary and acquired demyelinating neuropathies have been studied and the effects on nerve pathophysiology have been compared with degeneration and regeneration of axons. SUMMARY: Excitability......PURPOSE OF REVIEW: The review is aimed at providing information about the role of nerve excitability studies in peripheral nerve disorders. It has been known for many years that the insight into peripheral nerve pathophysiology provided by conventional nerve conduction studies is limited. Nerve...... excitability studies are relatively novel but are acquiring an increasingly important role in the study of peripheral nerves. RECENT FINDINGS: By measuring responses in nerve that are related to nodal function (strength-duration time constant, rheobase and recovery cycle) and internodal function (threshold...

  20. Phonon excitations in multicomponent amorphous solids

    International Nuclear Information System (INIS)

    Vakarchuk, I.A.; Migal', V.M.; Tkachuk, V.M.

    1988-01-01

    The method of two-time temperature-dependent Green's functions is used to investigate phonon excitations in multicomponent amorphous solids. The equation obtained for the energy spectrum of the phonon excitations takes into account the damping associated with scattering of phonons by structure fluctuations. The quasicrystal approximation is considered, and as an example explicit expressions are obtained for the case of a two-component amorphous solid for the frequencies of the acoustical and optical modes and for the longitudinal and transverse velocities of sound. The damping is investigated

  1. Proteomic analysis of FUS interacting proteins provides insights into FUS function and its role in ALS.

    Science.gov (United States)

    Kamelgarn, Marisa; Chen, Jing; Kuang, Lisha; Arenas, Alexandra; Zhai, Jianjun; Zhu, Haining; Gal, Jozsef

    2016-10-01

    Amyotrophic lateral sclerosis (ALS) is a progressive neurodegenerative disease. Mutations in the Fused in Sarcoma/Translocated in Liposarcoma (FUS/TLS) gene cause a subset of familial ALS cases and are also implicated in sporadic ALS. FUS is typically localized to the nucleus. The ALS-related FUS mutations cause cytoplasmic mis-localization and the formation of stress granule-like structures. Abnormal cytoplasmic FUS localization was also found in a subset of frontotemporal dementia (FTLD) cases without FUS mutations. To better understand the function of FUS, we performed wild-type and mutant FUS pull-downs followed by proteomic identification of the interacting proteins. The FUS interacting partners we identified are involved in multiple pathways, including chromosomal organization, transcription, RNA splicing, RNA transport, localized translation, and stress response. FUS interacted with hnRNPA1 and Matrin-3, RNA binding proteins whose mutations were also reported to cause familial ALS, suggesting that hnRNPA1 and Matrin-3 may play common pathogenic roles with FUS. The FUS interactions displayed varied RNA dependence. Numerous FUS interacting partners that we identified are components of exosomes. We found that FUS itself was present in exosomes, suggesting that the secretion of FUS might contribute to the cell-to-cell spreading of FUS pathology. FUS interacting proteins were sequestered into the cytoplasmic mutant FUS inclusions that could lead to their mis-regulation or loss of function, contributing to ALS pathogenesis. Our results provide insights into the physiological functions of FUS as well as important pathways where mutant FUS can interfere with cellular processes and potentially contribute to the pathogenesis of ALS. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Hydrodynamic Excitation Forces on Floating Structures with Finite Displacements

    DEFF Research Database (Denmark)

    Andersen, Morten Thøtt; Nielsen, Søren R. K.

    2015-01-01

    excitation force is solely a function of time, hence the body is fixed in reference to the wave field. In this paper, the instantaneous position of the body is included in the calculation of the excitation force. Even though the displacement of the structure relative to a characteristic wavelength...

  3. Breakup excitation function at backward angles from α-spectra in the 6Li + 144Sm system

    International Nuclear Information System (INIS)

    Capurro, O.A.; Pacheco, A.J.; Arazi, A.; Figueira, J.M.; Martinez Heimann, D.; Negri, A.E.

    2011-01-01

    Breakup cross sections were obtained for the 6 Li + 144 Sm system at energies above and below the Coulomb barrier from a detailed analysis of the data recorded at backward angles. These cross sections are compared with inelastic target excitations previously reported revealing a similar behavior as a function of the bombarding energy but a large absolute difference between them. Using kinematical considerations we have analyzed possible contributions from different breakup channels and we have extracted information on magnitudes such as the relative kinetic energies of the corresponding breakup fragments.

  4. Excitation functions for the formation of some short-lived products in proton-induced reactions on silver

    OpenAIRE

    Uddin, M. S.; Baba, M.; Hagiwara, M.; Latif, S. K. A.; Qaim, S. M.

    2008-01-01

    Excitation functions of the Ag-nat(p, xn)Cd-104,Cd-105 and Ag-nat(p, pxn) Ag-103,Ag-104m.g,Ag- 1049 reactions were measured for the first time over the proton energy range of 32 to about 60 MeV. The data were compared with the results of precompound-hybrid model calculations, whereby only partial agreement was obtained. The contribution of the Ag-103 precursor decay to the total formation of the therapeutic radionuclide Pd-103 in proton activation of silver was estimated: it amounted to about...

  5. Use of Amino‐Functionalized CNTs and CVD Grown CNTs for Better Dispersion in Al Powder in the Fabrication of Composites

    Energy Technology Data Exchange (ETDEWEB)

    Singhal, S. K.; Mathur, R. B. [National Physical Laboratory (CSIR), New Delhi‐1100 12 (India); Mamta,; Teotia, Satish [Guru Jambheshwar University of Science and Technology, Hisar (India); Chahal, Rajiv [Nanoscience and Nanotechnology, Panjab University, Chandigarh (India)

    2011-12-12

    We report an improved process for the better dispersion of multiwalled carbon nanotubes (MWCNTs) in Al powder used for the fabrication of Al‐matrix composites employing powder metallurgy process. For obtaining a better dispersion of MWCNTs in Al, we used two types of MWCNTs. In the first type, the MWCNTs were firstly functionalized by using ammonium bi‐carbonate and mix with Al powder using a high energy ball mill in the presence of a process control agent. In the second type we grew MWCNTs directly on Al powder using CVD. Various mechanical properties of the composites including micro hardness, compressive strength etc. were determined. It has been observed that using functionalized MWCNTs (fCNTs) and CVD grown MWCNTs, these properties were found to enhance significantly. The dispersion of functionalized CNTs was studied by SEM and the interfacial bonding between functionalized CNTs and Al matrix using high resolution transmission electron microscopy (HRTEM).

  6. Microstructure ion Nuclear Spectra at High Excitation

    International Nuclear Information System (INIS)

    Ericson, T.E.O.

    1969-01-01

    The statistical microstructure of highly excited systems is illustrated by the distribution and fluctuations of levels, widths and cross-sections of nuclei both for the case of sharp resonances and the continuum case. The coexistence of simple modes of excitation with statistical effects in terms of strength functions is illustrated by isobaric analogue states. The analogy is made with similar phenomena for coherent light, is solid-state physics and high-energy physics. (author)

  7. Chitosan/ZnAl_2O_4 films: structural evaluation and photoluminescent

    International Nuclear Information System (INIS)

    Araujo, P.M.A.G.; Costa, A.C.F.M.

    2014-01-01

    The photoluminescent materials have been the focus of intense research and applications in optics, electronics and biological areas. This work reports obtaining chitosan/ZnAl_2O_4 film in proportions of 1: 1, 1: 2, 1: 3, 1:4 to 1:5 by weight, and assess the structural properties of the films and photoluminescence. The samples were characterized by XRD, FTIR, emission and excitation. By XRD was found that all samples showed characteristic peaks of chitosan and ZnAl_2O_4. The FTIR spectra for all concentrations of Qs/NPs films exhibit characteristic bands of Qs and trend banding of ions ZnAl_2O_4. The emission and excitation spectra revealed the presence of a broadband processes associated with charge transfer to the Al"3"+ O"2"-, all samples showed good photoluminescent properties being that higher intensities of photoluminescence gave to the film concentration 1:4 being promising for photoelectronic applications. (author)

  8. Excitation functions and yields of proton induced reactions at intermediate energies leading to important diagnostics radioisotopes of 52Fe, 77Br, 82Rb, 97Ru, 111In, 123I, 127Xe, 128Cs, 178Ta and 201Tl

    International Nuclear Information System (INIS)

    Rurarz, E.

    1994-01-01

    This report describes investigations of the excitation functions of the proton induced reactions on 14 targets (Mn, Co, Br, Rb, 99 Tc, 113 Cd, 114 Cd, Cd, I, Cs, Ta, 206,207,208 Pb) leading directly or indirectly to the formation of radionuclides 52 Fe, 77 Br, 82 Rb, 97 Ru, 111 In, 123 I, 127 Xe, 128 Cs, 178 Ta and 201 Tl frequently used in diagnostic procedures of nuclear medicine. The measurements of the excitation functions were made over a wide proton energy range from the reaction threshold up to 100 MeV using the stacked foil (or pellet) technique. Small energy steps were used to allow for accurate determination of the structure of excitation functions. For 97 Ru, 111 In and 127 Xe formation with protons, new reaction channels and targets were used and data concerning this method are published for the first time. The data for 52 Fe, 77 Br, 82 Rb, 123 I, 128 Cs and 201 Tl obtained in the present work for the E p =70-100 MeV region are also published for the first time. The measured excitation functions for the formation of desired (and undesired) radionuclides (altogether 28 excitation functions) are compared with the theoretical ones calculated on the basis of a hybrid model of nuclear reactions in the form of the Overlaid Alice computer code. In order to determine the contribution of the competitive reaction channels to the purity of the produced, desired radionuclide, the excitation functions of the accompanying reactions were also calculated. The 122 calculated excitation functions for the possible contaminant are given in the present work. The comparison of experimental excitation functions with the results of model calculations showed satisfactory agreement, especially if one considers, that no parameter adjustment for individual reaction products was undertaken. From the measured excitation functions the production yields for 28 radionuclides mentioned above have been determined (author). 262 refs, 65 figs, 34 tabs

  9. Analysis of complete fusion excitation functions for 7Li+152Sm, 197Au and 209Bi reactions at around barrier energies

    International Nuclear Information System (INIS)

    Kharab, Rajesh; Chahal, Rajiv; Kumar, Rajiv

    2017-01-01

    In the present work we have analyzed the fusion excitation function for CF process using the simple Wong’s formula in conjunction with the energy dependent Woods-Saxon potential (EDWSP) in near barrier energy region for 7 Li+ 152 Sm, 197 Au and 209 Bi reactions

  10. Development of AlInN photoconductors deposited by sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Nunez-Cascajero, Arantzazu; Jimenez-Rodriguez, Marco; Gonzalez-Herraez, Miguel; Naranjo, Fernando B. [Grupo de Ingenieria Fotonica, Departamento de Electronica, Universidad de Alcala, Madrid (Spain); Monroy, Eva [Universite Grenoble-Alpes, Grenoble (France); CEA-Grenoble, INAC-PHELIQS, Grenoble (France)

    2017-09-15

    In this work, we have developed photoconductor devices based on Al{sub 0.39}In{sub 0.61}N layers grown on sapphire by reactive radio-frequency magnetron sputtering. The fabricated devices show a sublinear dependence of the photocurrent as a function of the incident optical power. The above-the-band-gap responsivity reaches 7 W/A for an irradiance of 10 W/m{sup 2} (405 nm wavelength). The response decreases smoothly for below-the-bandgap excitation, dropping by more than an order of magnitude at 633 nm. The devices present persistent photoconductivity effects associated to carrier trapping at grain boundaries. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials

    Science.gov (United States)

    Miyamoto, Yoshiyuki; Rubio, Angel

    2018-04-01

    We review our recent developments in the ab initio simulation of excited-state dynamics within the framework of time-dependent density functional theory (TDDFT). Our targets range from molecules to 2D materials, although the methods are general and can be applied to any other finite and periodic systems. We discuss examples of excited-state dynamics obtained by real-time TDDFT coupled with molecular dynamics (MD) and the Ehrenfest approximation, including photoisomerization in molecules, photoenhancement of the weak interatomic attraction of noble gas atoms, photoenhancement of the weak interlayer interaction of 2D materials, pulse-laser-induced local bond breaking of adsorbed atoms on 2D sheets, modulation of UV light intensity by graphene nanoribbons at terahertz frequencies, and collision of high-speed ions with the 2D material to simulate the images taken by He ion microscopy. We illustrate how the real-time TDDFT approach is useful for predicting and understanding non-equilibrium dynamics in condensed matter. We also discuss recent developments that address the excited-state dynamics of systems out of equilibrium and future challenges in this fascinating field of research.

  12. Nerve excitability in the rat forelimb

    DEFF Research Database (Denmark)

    Arnold, Ria; Moldovan, Mihai; Rosberg, Mette Romer

    2017-01-01

    Background Nerve excitability testing by threshold-tracking is the only available method to study axonal ion channel function and membrane potential in the clinical setting. The measures are, however, indirect and the interpretation of neuropathic changes remains challenging. The same multiple...... measures of axonal excitability were adapted to further explore the pathophysiological changes in rodent disease models under pharmacologic and genetic manipulations. These studies are typically limited to the investigation of the “long nerves” such as the tail or the tibial nerves. New method We introduce...... a novel setup to explore the ulnar nerve excitability in rodents. We provide normative ulnar data in 11 adult female Long Evans rats under anaesthesia by comparison with tibial and caudal nerves. Additionally, these measures were repeated weekly on 3 occasions to determine the repeatability of these tests...

  13. Completing the Heterocubane Family [Cp*AlE]4 (E = O, S, Se, and Te) by Selective Oxygenation and Sulfuration of [Cp*Al]4: Density Functional Theory Calculations of [Cp*AlE]4 and Reactivity of [Cp*AlO]4 toward Hydrolysis.

    Science.gov (United States)

    Stelzer, Adrian C; Hrobárik, Peter; Braun, Thomas; Kaupp, Martin; Braun-Cula, Beatrice

    2016-05-16

    The subvalent aluminum compound [Cp*Al]4 (1) reacts with dioxygen, N2O, or sulfur to yield the heterocubane complexes [Cp*AlX]4 [X = O (2) and S (3)]. Treatment of [Cp*AlO]4 (2) with (tBuO)3SiOH gave [(tBuO)3SiOAlO]4 (6) and Cp*H. The structures and spectroscopic data of the Al clusters are supported by density functional theory (DFT) calculations, which also demonstrate the importance of noncovalent interactions (NCI) in oligomeric Al(I) complexes as well as in [Cp*AlS]4 and the heavier homologues of Se and Te. The computed (27)Al NMR shifts indicate a deshielding at the Al centers with increasing electronegativity of the chalcogen atom as well as significant spin-orbit shielding effects within the heavier heterocubane [Al4E4] cores. Further hydrolysis of 6 with an additional amount of silanol in the presence of water resulted in the formation of [Al4(OH)6(OH2)2(OSiOtBu3)6] (7), which shows a structural motif found in boehmite and diaspore.

  14. Charged particle calorimetry of 40Ar + 27Al reactions from 36 to 65 MeV/u

    International Nuclear Information System (INIS)

    Cussol, D.; Bizard, G.; Brou, R.; Durand, D.; Louvel, M.; Patry, J.P.; Peter, J.; Sullivan, J.P.; Regimbart, R.; Steckmeyer, J.C.; Tamain, B.; Crema, E.; Cassagnou, Y.; Legrain, R.; Jeong, S.C.; Lee, S.M.; Nagashima, Y.; Nakagawa, T.; Ogihara, M.

    1992-04-01

    Temperatures and excitation energies have been independently measured for hot nuclei formed in the Ar on Al reactions from 36 to 65 MeV/u. Charged products have been measured in a geometry close to 4 π in the center of mass with multidetectors MUR and TONNEAU. The events have been sorted as a function of the impact parameter value. The products emitted from the equilibrated incomplete fusion nuclei are separated from the nucleons and clusters emitted in the first step of the collision (pre-equilibrium) and from the target-like nuclei. The qualitative variation of temperature and excitation energy values have been deduced from the charge distribution of residual nuclei and the transverse energy. Quantitative values are obtained from the kinetic energy distributions of particles in the frame of the reconstructed equilibrated nucleus. At each incident energy, the temperature and excitation energy are both increasing when the impact parameter value decreases. For central collisions (b<2fm), the temperature increases with the incident energy, slowly above 45 MeV/u, and reaches a value of 7 MeV. The excitation energy per nucleon increases similarly. The correlation between the excitation energy per nucleon and the temperature shows an evolution of the level density parameter value

  15. Density-functional theory investigation of Al pitting corrosion in electrolyte containing chloride ions

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Min [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China); Jin, Ying, E-mail: yjin@ustb.edu.cn [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China); Zhang, Chuanhui [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China); Leygraf, Christofer [Division of Surface and Corrosion Science, Department of Chemistry, KTH Royal Institute of Technology, SE-10044 Stockholm (Sweden); Wen, Lei [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China)

    2015-12-01

    Highlights: • Cl{sup −} led to the elongation of Al−O bond and the weakened binding between Al layers in scenario i. • Al−O interaction weakened whereas an intensive hybridization peak at −0.18 Ha between Al-3p with Cl-3p showed in scenario ii. • Substructures such as AlCl{sub 3} and Al{sub 2}Cl{sub 5} formed in scenario iii when the Cl{sup −} coverage was larger than 2/3 ML of a monolayer. - Abstract: The behavior of chloride ions (Cl{sup −}) and oxygen species (the oxygen atom, O or molecular oxygen, O{sub 2}) on Al(1 1 1) surface has been studied by density functional theory calculations in order to deepen the molecular understanding of fundamental processes leading to pitting of aluminum (Al). The adsorption behavior of individual species, Cl{sup −}, O atom and O{sub 2} was determined first. Subsequently, three possible scenarios in different pitting stages were modeled exploring the repassivation and dissolution of Al in neutral electrolyte containing Cl{sup −}. In scenario i, it was found that Cl{sup −} can hardly destroy even an O-monolayer on Al(1 1 1) surface, however may lead to the elongation of Al−O bond and the weakened binding between the first Al layer and subsequent Al layers. Both O{sub 2} and Cl{sup −} were simultaneously introduced onto Al(1 1 1) in scenario ii. The result showed a weakened Al−O interaction and an intensive hybridization peak at −0.18 Ha between Al-3p with Cl-3p suggesting insufficient repassivation behavior of Al under this condition. Finally, scenario iii mimicked different local environmental conditions in pits formed on Al. At low coverage of Cl{sup −}, chloride ions had little effect on surface relaxation. The interaction among chloride ions and Al surface became stronger as Cl{sup −} coverage increased. Surface Al atoms dissolved gradually and substructures such as AlCl{sub 3} and Al{sub 2}Cl{sub 5} formed when the coverage was larger than 2/3 ML of a monolayer.

  16. Modulation of the effective work function of a TiN metal gate for NMOS requisition with Al incorporation

    International Nuclear Information System (INIS)

    Han Kai; Ma Xueli; Yang Hong; Wang Wenwu

    2013-01-01

    The effect of Al incorporation on the effective work function (EWF) of TiN metal gate was systematically investigated. Metal—oxide—semiconductor (MOS) capacitors with W/TiN/Al/TiN gate stacks were used to fulfill this purpose. Different thickness ratios of Al to TiN and different post metal annealing (PMA) conditions were employed. Significant shift of work function towards to Si conduction band was observed, which was suitable for NMOS and the magnitude of shift depends on the processing conditions. (semiconductor technology)

  17. Computer simulation of the spatial distribution of optical radiation arising from knocked-out excited particles

    International Nuclear Information System (INIS)

    Gokov, S.P.; Gritsyna, V.V.; Koval', A.G.; Kovtunenko, Yu.I.; Shevchenko, D.I.

    2004-01-01

    The new approach for the explanation of the spatial distribution of the optical radiation arising from knocked-out excited particles is given. Calculated and experimental data for Al (λ=396.1 nm) and Mg (λ=383.8 nm) knocked-out by Ar + (20 keV) beam from MgAl 2 O 4 surface are compared [ru

  18. Excited-state lifetimes of far-infrared collective modes in proteins

    NARCIS (Netherlands)

    Xie, A.; van der Meer, L.; Austin, R. H.

    2002-01-01

    Vibrational excitations of low frequency collective modes are essential for functionally important conformational transitions in proteins. Here we report the first direct measurement on the lifetime of vibrational excitations of the collective modes at 87 pm (115 cm(-1)) in bacteriorhodopsin, a

  19. Corrosion and wear behavior of functionally graded Al2024/SiC composites produced by hot pressing and consolidation

    Energy Technology Data Exchange (ETDEWEB)

    Erdemir, Fatih; Canakci, Aykut, E-mail: aykut@ktu.edu.tr; Varol, Temel; Ozkaya, Serdar

    2015-09-25

    Highlights: • Functionally graded Al2024/SiC composites were produced by hot pressing. • Effect of the number of graded layers was investigated on the corrosion behavior. • Functionally graded composites has the most corrosion resistant than composites. • Wear mechanisms of Al2024/SiC composites were explained. - Abstract: Functionally graded Al2024/SiC composites (FGMs) with varying percentage of SiC (30–60%) were produced by hot pressing and consolidation method. The effects of SiC content and number of layers of Al2024/SiC FGMs on the corrosion and wear behaviors were investigated. The microstructures of these composites were characterized by a scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS). The corrosion performances of composites were evaluated by potentiodynamic polarization scans in 3.5% NaCl solution. Corrosion experiments shows that corrosion rate (1109 mpy) of two layered FGMs which containing 50 wt.% SiC were much higher than Al2024 matrix (2569 mpy) and Al2024/50 wt.% SiC composite (2201 mpy). Mechanical properties of these composites were evaluated by microhardness measurements and ball-on-disk wear tests. As the applied load change from 15 to 20 N, the wear rates of the Al2024 increased significantly and wear mechanism transformed from mild to severe wear regime. It has been shown that Al2024/40 wt.% SiC composite has lower wear rate where adhesive and abrasive wear mechanisms play a major role.

  20. Luminescence of Eu:Y3Al5O12, Eu:Lu3Al5O12, and Eu:GdAlO3 Nanocrystals Synthesized by Solution Combustion

    Science.gov (United States)

    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.

  1. Plane-Wave Implementation and Performance of à-la-Carte Coulomb-Attenuated Exchange-Correlation Functionals for Predicting Optical Excitation Energies in Some Notorious Cases.

    Science.gov (United States)

    Bircher, Martin P; Rothlisberger, Ursula

    2018-06-12

    Linear-response time-dependent density functional theory (LR-TD-DFT) has become a valuable tool in the calculation of excited states of molecules of various sizes. However, standard generalized-gradient approximation and hybrid exchange-correlation (xc) functionals often fail to correctly predict charge-transfer (CT) excitations with low orbital overlap, thus limiting the scope of the method. The Coulomb-attenuation method (CAM) in the form of the CAM-B3LYP functional has been shown to reliably remedy this problem in many CT systems, making accurate predictions possible. However, in spite of a rather consistent performance across different orbital overlap regimes, some pitfalls remain. Here, we present a fully flexible and adaptable implementation of the CAM for Γ-point calculations within the plane-wave pseudopotential molecular dynamics package CPMD and explore how customized xc functionals can improve the optical spectra of some notorious cases. We find that results obtained using plane waves agree well with those from all-electron calculations employing atom-centered bases, and that it is possible to construct a new Coulomb-attenuated xc functional based on simple considerations. We show that such a functional is able to outperform CAM-B3LYP in some cases, while retaining similar accuracy in systems where CAM-B3LYP performs well.

  2. Preparation, deformation, and failure of functional Al-Sn and Al-Sn-Pb nanocrystalline alloys

    Science.gov (United States)

    Noskova, N. I.; Vil'Danova, N. F.; Filippov, Yu. I.; Churbaev, R. V.; Pereturina, I. A.; Korshunov, L. G.; Korznikov, A. V.

    2006-12-01

    Changes in the structure, hardness, mechanical properties, and friction coefficient of Al-30% Sn, Al-15% Sn-25% Pb, and Al-5% Sn-35% Pb (wt %) alloys subjected to severe plastic deformation by equal-channel angular pressing (with a force of 40 tonne) and by shear at a pressure of 5 GPa have been studied. The transition into the nanocrystalline state was shown to occur at different degrees of plastic deformation. The hardness exhibits nonmonotonic variations, namely, first it increases and subsequently decreases. The friction coefficient of the Al-30% Sn, Al-15% Sn-25% Pb, and Al-5% Sn-35% Pb alloys quenched from the melt was found to be 0.33; the friction coefficients of these alloys in the submicrocrystalline state (after equal-channel angular pressing) equal 0.24, 0.32, and 0.35, respectively. The effect of disintegration into nano-sized powders was found to occur in the Al-15% Sn-25% Pb, and Al-5% Sn-35% Pb alloys after severe plastic deformation to ɛ = 6.4 and subsequent short-time holding.

  3. Excitation of planetary electromagnetic waves in the inhomogeneous ionosphere

    Directory of Open Access Journals (Sweden)

    Yu. Rapoport

    2014-04-01

    Full Text Available In this paper we develop a new method for the analysis of excitation and propagation of planetary electromagnetic waves (PEMW in the ionosphere of the Earth. The nonlinear system of equations for PEMW, valid for any height, from D to F regions, including intermediate altitudes between D and E and between E and F regions, is derived. In particular, we have found the system of nonlinear one-fluid MHD equations in the β-plane approximation valid for the ionospheric F region (Aburjania et al., 2003a, 2005. The series expansion in a "small" (relative to the local geomagnetic field non-stationary magnetic field has been applied only at the last step of the derivation of the equations. The small mechanical vertical displacement of the media is taken into account. We have shown that obtained equations can be reduced to the well-known system with Larichev–Reznik vortex solution in the equatorial region (see e.g. Aburjania et al., 2002. The excitation of planetary electromagnetic waves by different initial perturbations has been investigated numerically. Some means for the PEMW detection and data processing are discussed.

  4. Surface Properties of Al-Functionalized Mesoporous MCM-41 and the Melting Behavior of Water in Al-MCM-41 Nanopores.

    Science.gov (United States)

    Sterczyńska, Angelina; Deryło-Marczewska, Anna; Zienkiewicz-Strzałka, Małgorzata; Śliwińska-Bartkowiak, Małgorzata; Domin, Kamila

    2017-10-24

    We report an experimental investigation of structural and adhesive properties for Al-containing mesoporous MCM-41 and MCM-41 surfaces. In this work, highly ordered hexagonal mesoporous structures of aluminosilica with two different Si/Al molar ratios equal to 50 and 80 and silica samples were studied; Al was incorporated into the MCM-41 structures using the direct synthesis method, with CTAB as a surfactant. The incorporation of aluminum was evidenced simultaneously without any change in the hexagonal arrangement of cylindrical mesopores. The porous materials were examined by techniques such as low-temperature nitrogen sorption, energy-dispersive spectroscopy, and scanning and transmission electron microscopy. Surface properties were determined through X-ray photoelectron spectroscopy, potentiometric titration, and static contact angle measurements. It was shown that an increase in surface acidity leads to an increase in the wetting energy of the surface. To investigate the influence of acidity on the confinement effects, the melting behavior of water in Al-MCM-41 and MCM-41 with the same pore size was determined by using dielectric relaxation spectroscopy and differential scanning calorimetry methods. We found that the melting-point depression of water in pores is larger in the functionalized pores than in pure silica pores of the same pore diameter.

  5. Production and de excitation of hot nuclei

    International Nuclear Information System (INIS)

    Auger, F.; Faure, B.; Wirleczki, J.P.; Cunsolo, A.; Foti, A.; Plagnol, E.

    1988-01-01

    We studied Kr induced reactions on C, Al and Ti at 26.4, 34.4 and 45.4 MeV/nucleon. The aims of these experiments were to learn about the influence of the incident energy and asymmetry of the system on the incomplete fusion mechanism, that is on the characteristics (E,l) of the nuclei formed in the reactions and on the competition between massive transfer and preequilibrium emission. We also wanted to study the influence of excitation energy and angular momentum of the nuclei on their deexcitation modes, specially on the competition between light particles (n, p, α) and complex fragments (M>4). Considering the available energies (2.8 < ε < 10.5 MeV/nucleon), the grazing and the total masses (96 ≤ M ≤ 132), nuclei with masses around 100 are likely to be formed with very different excitation energies and angular momenta

  6. Spectroscopic ellipsometry analysis of InGaN/GaN and AlGaN/GaN heterostructures using a parametric dielectric function model

    International Nuclear Information System (INIS)

    Wagner, J.; Ramakrishnan, A.; Obloh, H.; Kunzer, M.; Koehler, K.; Johs, B.

    2000-01-01

    Spectroscopic ellipsometry (SE) has been used for the characterization of AlGaN/GaN and InGaN/GaN heterostructures. The resulting pseudodielectric function spectra were analyzed using a multilayer approach, describing the dielectric functions of the individual layers by a parametric oscillator model. From this analysis, the dielectric function spectra of GaN, Al x Ga 1-x N (x le 0.16), and In 0.13 Ga 0.87 N were deduced. Further, the dependence of the Al x Ga 1-x N band gap energy on the Al mole fraction was derived and compared with photoluminescence data recorded on the same material. The SE band gap data are compatible with a bowing parameter close to 1 eV for the composition dependence of the Al x Ga 1-x N gap energy. Finally, the parametric dielectric functions have been used to model the pseudodielectric function spectrum of a complete GaN/AlGaN/InGaN LED structure

  7. 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

    Science.gov (United States)

    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).

  8. Dissociative Excitation of Thymine by Electron Impact

    Science.gov (United States)

    McConkey, William; Tiessen, Collin; Hein, Jeffrey; Trocchi, Joshuah; Kedzierski, Wladek

    2014-05-01

    A crossed electron-gas beam system coupled to a VUV spectrometer has been used to investigate the dissociation of thymine (C5H6N2O2) into excited atomic fragments in the electron-impact energy range from threshold to 375 eV. A special stainless steel oven is used to vaporize the thymine and form it into a beam where it is intersected by a magnetically collimated electron beam, typical current 50 μA. The main features in the spectrum are the H Lyman series lines. The probability of extracting excited C or N atoms from the ring is shown to be very small. In addition to spectral data, excitation probability curves as a function of electron energy will be presented for the main emission features. Possible dissociation channels and excitation mechanisms in the parent molecule will be discussed. The authors thank NSERC (Canada) for financial support.

  9. Excitation processes in organic systems under irradiation with vacuum ultraviolet radiation

    International Nuclear Information System (INIS)

    Shefer, Y.

    1983-08-01

    The subject of this work is the fluorescence of organic systems in the excitation range where phenomena of photon multiplication begin. It was hoped to reach the excitation energy above which the distribution of the various phenomena was constant and as a result, a linear function between the variation of the fluorescence intensity with variations of the excitation, would be obtained. The experimental set-up consisted mainly of suitable light sources, monochromators and detectors. The gated measuring system consisted of an oscilloscope, integrator and recorder. The material predominantly used in the experiments was anthracene whose absorption spectrum was investigated and calculated. The absorption spectra of various polycrystalline layers were also calculated. The absorption spectrum of a randomly ordered polycrystalline layer was compared with that of a hexane solution and a good correlation between the two spectra was obtained. For the study of the relationship between the excitation spectrum of anthracene and the order of crystal, the excitation spectrum of single crystals of anthracene was measured from 4 eV to 107 eV. For the excitation region from 10 eV to 23 eV the efficiency of exciting a singlet level by a photoelectron was calculated as a function of the kinetic energy of the photoelectron, assuming the efficiency of the recombination to be constant. The excitation spectra of single crystals of p-terphenyl, pyrene and phenanthrene were also examined. In all four crystals the excitation spectrum rises monotonically with an increase in the energy of the exciting photon. (author)

  10. Coulomb excitation

    International Nuclear Information System (INIS)

    McGowan, F.K.; Stelson, P.H.

    1974-01-01

    The theory of Coulomb excitation and a brief review of pertinent treatments of the Coulomb excitation process that are useful for the analysis of experiments are given. Examples demonstrating the scope of nuclear structure information obtainable from gamma spectroscopy are presented. Direct Elambda excitation of 232 Th is discussed in terms of the one phonon octupole vibrational spectrum. B(MI) reduced transition probabilities resulting from Coulomb excitation of odd-A deformed nuclei with heavy ions are presented as a test of the rotational model. The use of gamma ray coincidence and particle-gamma coincidence as tools for investigating Coulomb excitation is discussed. (U.S.)

  11. A study of the effect of Al2O3 reflector on response function of NaI(Tl) detector

    International Nuclear Information System (INIS)

    Tam, Hoang Duc; Chuong, Huynh Dinh; Thanh, Tran Thien; Van Tao, Chau

    2016-01-01

    This study aims to assess the effect of Al 2 O 3 reflector surrounding the NaI(Tl) crystal on the detector response function, based on Monte Carlo simulation, which can verify the precise model of the NaI(Tl) detector. The method used in determining the suitable thickness of Al 2 O 3 reflector is to compare the calculated and experimental values of full-energy peak efficiency. The results show that the Al 2 O 3 reflector should have a thickness of 0.8–1.2 mm for the maximum deviation between the experimental and simulated efficiency of 3.2% at all concerning energies. In addition, the obtained results are in good agreement with the response function of simulation and experimental spectra. - Highlights: • The study was conducted to verify the model of Monte Carlo simulation. • The effect of Al 2 O 3 reflector on the detector response function was investigated. • The optimum thickness of Al 2 O 3 reflector is suggested.

  12. A new analysis technique to measure fusion excitation functions with large beam energy dispersions

    Science.gov (United States)

    Figuera, P.; Di Pietro, A.; Fisichella, M.; Lattuada, M.; Shotter, A. C.; Ruiz, C.; Zadro, M.

    2018-01-01

    Peculiar nuclear structures of two colliding nuclei such has clustering, neutron halo/skin or very low breakup thresholds can affect the reaction dynamics below the Coulomb barrier and this may also have astrophysical consequences. In order to have a better understanding of this topic, in the last decade, several experiments were performed. A typical experimental challenge of such studies is the need to measure excitation functions below the Coulomb barrier, having a strong energy dependence, with rather large beam energy dispersions inside the target. This may easily lead to ambiguities in associating the measured cross section with a proper beam energy. In this paper a discussion on this topic is reported and a new technique to deal with the above problem will be proposed.

  13. Excitation function of elastic scattering on 12C + 4He system, at low energies

    International Nuclear Information System (INIS)

    Perez-Torres, R.; Aguilera, E. F.; Martinez-Quiroz, E.; Murillo, G.; Belyaeva, T. L.; Maldonado-Velazquez, M.

    2011-01-01

    Interactions in the 12 C + 4 He system are of great interest in astrophysics and to help determine the relative abundances of elements in stars, at the end of helium burning [1, 2]. The Instituto Nacional de Investigaciones Nucleares (ININ) in Mexico, have made measurements of elastic scattering for this system, using the inverse kinematics method with thick white gas [3, 4], for E CM (0.5 - 4 MeV) θ CM = 180 o . In this work we obtain excitation functions of elastic scattering of 12 C + 4 He system with angular and energy dependence; E CM = 0.5 - 4 MeV and θ CM 100 o -170 o .Using inverse kinematics method with thick white gas and energy loss tables. (Author)

  14. Excited states in stochastic electrodynamics

    International Nuclear Information System (INIS)

    Franca, H.M.; Marshall, T.W.

    1987-12-01

    It is shown that the set of Wigner functions associated with the excited states of the harmonic oscillator constitute a complete set of functions over the phase space. An arbitraty distribution can be expanded in terms of these Wigner functions. By studying the time evolution, according to Stochastic Electrodynamics, of the expansion coefficients, becomes feasible to separate explicity the contributionsof the radiative reaction and the vaccuum field to the Einsten. A coefficients for this system. A simple semiclassical explanation of the Weisskopf-Heitler phenomenon in resonance fluorescence is also supplied. (author) [pt

  15. New formalism for determining excitation spectra of many-body systems

    International Nuclear Information System (INIS)

    Saito, S.; Zhang, S.B.; Louie, S.G.; Cohen, M.L.

    1990-01-01

    We present a new general formalism for determining the excitation spectrum of interacting many-body systems. The basic assumption is that the number of the excitations is equal to the number of sites. Within this approximation, it is shown that the density-density response functions with two different pure-imaginary energies determine the excitation spectrum. The method is applied to the valence electrons of sodium clusters of differing sizes in the time-dependent local-density approximation (TDLDA). A jellium-sphere background model is used for the ion cores. The excitation spectra obtained in this way represent well the excitation spectra given by the full TDLDA calculation along the real energy axis. Important collective modes are reproduced very well

  16. Riluzole does not improve lifespan or motor function in three ALS mouse models.

    Science.gov (United States)

    Hogg, Marion C; Halang, Luise; Woods, Ina; Coughlan, Karen S; Prehn, Jochen H M

    2017-12-08

    Riluzole is the most widespread therapeutic for treatment of the progressive degenerative disease amyotrophic lateral sclerosis (ALS). Riluzole gained FDA approval in 1995 before the development of ALS mouse models. We assessed riluzole in three transgenic ALS mouse models: the SOD1 G93A model, the TDP-43 A315T model, and the recently developed FUS (1-359) model. Age, sex and litter-matched mice were treated with riluzole (22 mg/kg) in drinking water or vehicle (DMSO) from symptom onset. Lifespan was assessed and motor function tests were carried out twice weekly to determine whether riluzole slowed disease progression. Riluzole treatment had no significant benefit on lifespan in any of the ALS mouse models tested. Riluzole had no significant impact on decline in motor performance in the FUS (1-359) and SOD1 G93A transgenic mice as assessed by Rotarod and stride length analysis. Riluzole is widely prescribed for ALS patients despite questions surrounding its efficacy. Our data suggest that if riluzole was identified as a therapeutic candidate today it would not progress past pre-clinical assessment. This raises questions about the standards used in pre-clinical assessment of therapeutic candidates for the treatment of ALS.

  17. Photoionization of furan from the ground and excited electronic states.

    Science.gov (United States)

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

    2016-02-28

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

  18. The Complex Interplay Between Depression/Anxiety and Executive Functioning: Insights From the ECAS in a Large ALS Population

    Science.gov (United States)

    Solca, Federica; Faini, Andrea; Madotto, Fabiana; Lafronza, Annalisa; Monti, Alessia; Zago, Stefano; Doretti, Alberto; Ciammola, Andrea; Ticozzi, Nicola; Silani, Vincenzo; Poletti, Barbara

    2018-01-01

    Introduction: The observed association between depressive symptoms and cognitive performances has not been previously clarified in patients with amyotrophic lateral sclerosis (pALS). In fact, the use of cognitive measures often not accommodating for motor disability has led to heterogeneous and not conclusive findings about this issue. The aim of the present study was to evaluate the relationship between cognitive and depressive/anxiety symptoms by means of the recently developed Edinburgh Cognitive and Behavioral ALS Screen (ECAS), a brief assessment specifically designed for pALS. Methods: Sample included 168 pALS (114 males, 54 females); they were administered two standard cognitive screening tools (FAB; MoCA) and the ECAS, assessing different cognitive domains, including ALS-specific (executive functions, verbal fluency, and language tests) and ALS non-specific subtests (memory and visuospatial tests). Two psychological questionnaires for depression and anxiety (BDI; STAI/Y) were also administered to patients. Pearson’s correlation coefficient was used to assess the degree of association between cognitive and psychological measures. Results: Depression assessment negatively correlated with the ECAS, more significantly with regard to the executive functions subdomain. In particular, Sentence Completion and Social Cognition subscores were negatively associated with depression levels measured by BDI total score and Somatic-Performance symptoms subscore. Conversely, no significant correlations were observed between depression level and cognitive functions as measured by traditional screening tools for frontal abilities (FAB) and global cognition (MoCA) assessment. Finally, no significant correlations were observed between state/trait anxiety and the ECAS. Discussion and conclusion: This represents the first study focusing on the relationship between cognitive and psychological components in pALS by means of the ECAS, the current gold standard for ALS cognitive

  19. On the growth of Al2O3 scales

    International Nuclear Information System (INIS)

    Heuer, A.H.; Nakagawa, T.; Azar, M.Z.; Hovis, D.B.; Smialek, J.L.; Gleeson, B.; Hine, N.D.M.; Guhl, H.; Lee, H.-S.; Tangney, P.; Foulkes, W.M.C.; Finnis, M.W.

    2013-01-01

    Understanding the growth of Al 2 O 3 scales requires knowledge of the details of the chemical reactions at the scale–gas and scale–metal interfaces, which in turn requires specifying how the creation/annihilation of O and Al vacancies occurs at these interfaces. The availability of the necessary electrons and holes to allow for such creation/annihilation is a crucial aspect of the scaling reaction. The electronic band structure of polycrystalline Al 2 O 3 thus plays a decisive role in scale formation and is considered in detail, including the implications of a density functional theory (DFT) calculation of the band structure of a Σ7 {45 ¯ 10} bicrystal boundary, for which the atomic structure of the boundary was known from an independent DFT energy-minimization calculation and comparisons with an atomic-resolution transmission electron micrograph of the same boundary. DFT calculations of the formation energy of O and Al vacancies in bulk Al 2 O 3 in various charge states as a function of the Fermi energy suggested that electronic conduction in Al 2 O 3 scales most likely involves excitation of both electrons and holes, which are localized on singly charged O vacancies, V O · and doubly charged Al vacancies, V Al ″ , respectively. We also consider the variation of the Fermi level across the scale and bending (“tilting”) of the conduction band minimum and valence band maximum due to the electric field developed during the scaling reaction. The band structure calculations suggest a new mechanism for the “reactive element” effect—a consequence of segregation of Y, Hf, etc., to grain boundaries in Al 2 O 3 scales, which results in improved oxidation resistance—namely, that the effect is due to the modification of the near-band edge grain-boundary defect states rather than any blocking of diffusion pathways, as previously postulated. Secondly, Al 2 O 3 scale formation is dominated by grain boundary as opposed to lattice diffusion, and there is

  20. Optical properties of Al nanostructures from time dependent density functional theory

    KAUST Repository

    Mokkath, Junais Habeeb

    2016-04-05

    The optical properties of Al nanostructures are investigated by means of time dependent density functional theory, considering chains of varying length and ladders/stripes of varying aspect ratio. The absorption spectra show redshifting for increasing length and aspect ratio. For the chains the absorption is dominated by HOMO → LUMO transitions, whereas ladders and stripes reveal more complex spectra of plasmonic nature above a specific aspect ratio.

  1. Development of the Fragment Molecular Orbital Method for Calculating Nonlocal Excitations in Large Molecular Systems.

    Science.gov (United States)

    Fujita, Takatoshi; Mochizuki, Yuji

    2018-04-19

    We developed the fragment-based method for calculating nonlocal excitations in large molecular systems. This method is based on the multilayer fragment molecular orbital method and the configuration interaction single (CIS) wave function using localized molecular orbitals. The excited-state wave function for the whole system is described as a superposition of configuration state functions (CSFs) for intrafragment excitations and for interfragment charge-transfer excitations. The formulation and calculations of singlet excited-state Hamiltonian matrix elements in the fragment CSFs are presented in detail. The efficient approximation schemes for calculating the matrix elements are also presented. The computational efficiency and the accuracy were evaluated using the molecular dimers and molecular aggregates. We confirmed that absolute errors of 50 meV (relative to the conventional calculations) are achievable for the molecular systems in their equilibrium geometries. The perturbative electron correlation correction to the CIS excitation energies is also demonstrated. The present theory can compute a large number of excited states in large molecular systems; in addition, it allows for the systematic derivation of a model exciton Hamiltonian. These features are useful for studying excited-state dynamics in condensed molecular systems based on the ab initio electronic structure theory.

  2. On the excitation spectra of Cr{sup 3+}/Cr{sup 2+} and V{sup 3+} co-doped ZnAl{sub 2}S{sub 4} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Anghel, S., E-mail: anggell@gmail.com [Institute of Applied Physics, Academiei Str 5, Chis,inău MD-2028, Republic of Moldova (Moldova, Republic of); Ruhr-Universität Bochum, Anorganische Chemie III, Universitätsstrasse 150, D-44801 Bochum (Germany); Brik, M.G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Ravila 14 C, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, 02-668 Warsaw (Poland); Ma, C.-G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Sushkevich, K. [State University of Moldova, Mateevici Str 60, Chis,inău MD-2009, Republic of Moldova (Moldova, Republic of); Kulyuk, L. [Institute of Applied Physics, Academiei Str 5, Chis,inău MD-2028, Republic of Moldova (Moldova, Republic of)

    2015-10-15

    The excitation spectra of the ZnAl{sub 2}S{sub 4} spinel crystals codoped with chromium and vanadium are investigated in order to explain some features of the Cr{sup 3+} ions optical spectra and the inconsistency of the experimental absorption/emission bands position with the Tanabe–Sugano diagram, as well as the “missing” band in the absorption spectrum of V{sup 3+} ion although this band should be present as it is due to a spin allowed transition. The unusual high Racah parameters of the C/B ratio for Cr{sup 3+} ions have been induced to recalculate the Tanabe–Sugano diagram for the d{sup 3} electron configuration and the ratio C/B=8 in order to use it for the experimental results interpretation. The presence of Cr{sup 2+} ions in the low spin electron configurations in the octahedral coordination was confirmed; the temperature dependence of the Cr{sup 2+} emission at about 1.9 eV was studied and the Huang–Rhys factors were estimated for different temperatures. Despite the fact that the V{sup 3+}C/B ratio has a different value compared to the case of Cr{sup 3+} ions, the electron–phonon interaction is similar for both ions, with the Huang–Rhys parameter equal to 10 in both cases. Further research into optimizing the ZnAl{sub 2}S{sub 4}:Cr, V system to get an efficient enhancement of the vanadium emission on account on re-absorbing the chromium emission is suggested. - Highlights: • The spectroscopic properties of Cr and V codoped α-ZnAI{sub 2}S{sub 4} have been investigated. • The crystal field calculations have been performed. • The Huang–Rhys factors have been estimated for different temperatures. • The theoretical calculations have been correlated with the excitation spectra.

  3. Pion inelastic scattering to the first three excited states of lithium-6

    International Nuclear Information System (INIS)

    Kiziah, R.R.

    1984-10-01

    Using the Energetic Pion Channel and Spectrometer system at the Clinton P. Anderson Meson Physics Facility, differential cross sections were measured for π + inelastic scattering to the 3 + , T=0, 2.185-MeV, 0 + , T=1, 3.563-MeV, and 2 + , T=0, 4.25-MeV states of 6 Li at incident pion energies of 120 and 180 MeV and laboratory scattering angles between 15 0 and 47 0 . Excitation functions were measured at a constant momentum transfer of approximately 109 MeV/c for incident pion energies from 100 to 260 MeV. The constant momentum transfer corresponds to the maxima of the angular distributions for π + inelastic scattering to the 3.563-MeV level. Microscopic calculations using the distorted-wave impulse approximation (DWIA) agree well with the measured angular distributions and excitation functions for the 2.185- and 4.25-MeV levels. However, microscopic DWIA calculations do not adequately reproduce the measured angular distributions for the 3.563-MeV level and fail to reproduce the observed anomalous excitation function. The shape of the 3.563-MeV excitation function is similar to that previously observed for π +- inelastic scattering to the 1 + , T=1, 15.11-MeV state of 12 C. The same mechanism may be responsible for the observed excitation functions of both ΔS=ΔT=1 transitions. A possible mechanism is the direct excitation of Δ particle-nucleon hole (Δ-h) components in the final state wave functions. Within the Δ-h model interpretation, the peak of the 3.563-MeV excitation function is reproduced with an estimated probability amplitude for the Δ-h component of the 3.563-MeV state with respect to the ground state of 0.01 less than or equal to β less than or equal to 0.13, a range of values of β consistent with the range estimated for the 15.11-MeV level of 12 C (0.026 less than or equal to β less than or equal to 0.096)

  4. Alpha particle excited x-ray fluorescence analysis for trace elements in cervical spinal cords of amyotrophic lateral sclerosis

    International Nuclear Information System (INIS)

    Mizumoto, Yoshihiko; Iwata, Shiro; Sasajima, Kazuhisa; Yase, Yoshio; Yoshida, Shohei.

    1980-01-01

    The mean contents of trace elements in anterior gray horn section of cervical spinal cords of six amyotrophic lateral sclerosis (ALS) cases were relatively determined against those of six control cases by α-particle excited X-ray fluorescence analysis. The anterior gray horn section of cervical spinal cord samples were excited by 1.6 MeV α-particle beam of 2 mm diameter accelerated with a Van de Graaff accelerator, and characteristic X-ray spectra were measured with a Si(Li) detector. From the peak areas on the X-ray spectra, the relative mean contents of the trace elements in cervical spinal cords of ALS and control cases were determined. As a result, the X-ray peaks of Al, Si, P, S, Cl, K, Ca, Ti, V, Mn, Fe, Cu and Zn were detected. The contents of Al, Si, P, Ca, Ti, V, Mn and Fe in ALS cases were higher than those in control cases. The contents of S, Cl, K, Cu and Zn in ALS and in control cases were equal to each other within standard deviation. The precipitation mechanisms of Al, Si, P, Ca, Ti, V, Mn and Fe into cervical spinal cord of ALS cases are discussed on the basis of the previous studies. (author)

  5. Field-dependent molecular ionization and excitation energies: Implications for electrically insulating liquids

    Directory of Open Access Journals (Sweden)

    N. Davari

    2014-03-01

    Full Text Available The molecular ionization potential has a relatively strong electric-field dependence as compared to the excitation energies which has implications for electrical insulation since the excited states work as an energy sink emitting light in the UV/VIS region. At some threshold field, all the excited states of the molecule have vanished and the molecule is a two-state system with the ground state and the ionized state, which has been hypothesized as a possible origin of different streamer propagation modes. Constrained density-functional theory is used to calculate the field-dependent ionization potential of different types of molecules relevant for electrically insulating liquids. The low singlet-singlet excitation energies of each molecule have also been calculated using time-dependent density functional theory. It is shown that low-energy singlet-singlet excitation of the type n → π* (lone pair to unoccupied π* orbital has the ability to survive at higher fields. This type of excitation can for example be found in esters, diketones and many color dyes. For alkanes (as for example n-tridecane and cyclohexane on the other hand, all the excited states, in particular the σ → σ* excitations vanish in electric fields higher than 10 MV/cm. Further implications for the design of electrically insulating dielectric liquids based on the molecular ionization potential and excitation energies are discussed.

  6. Al atom on MoO3(010) surface: adsorption and penetration using density functional theory.

    Science.gov (United States)

    Wu, Hong-Zhang; Bandaru, Sateesh; Wang, Da; Liu, Jin; Lau, Woon Ming; Wang, Zhenling; Li, Li-Li

    2016-03-14

    Interfacial issues, such as the interfacial structure and the interdiffusion of atoms at the interface, are fundamental to the understanding of the ignition and reaction mechanisms of nanothermites. This study employs first-principle density functional theory to model Al/MoO3 by placing an Al adatom onto a unit cell of a MoO3(010) slab, and to probe the initiation of interfacial interactions of Al/MoO3 nanothermite by tracking the adsorption and subsurface-penetration of the Al adatom. The calculations show that the Al adatom can spontaneously go through the topmost atomic plane (TAP) of MoO3(010) and reach the 4-fold hollow adsorption-site located below the TAP, with this subsurface adsorption configuration being the most preferred one among all plausible adsorption configurations. Two other plausible configurations place the Al adatom at two bridge sites located above the TAP of MoO3(010) but the Al adatom can easily penetrate below this TAP to a relatively more stable adsorption configuration, with a small energy barrier of merely 0.2 eV. The evidence of subsurface penetration of Al implies that Al/MoO3 likely has an interface with intermixing of Al, Mo and O atoms. These results provide new insights on the interfacial interactions of Al/MoO3 and the ignition/combustion mechanisms of Al/MoO3 nanothermites.

  7. Generalized oscillator strengths for some higher valence-shell excitations of argon

    International Nuclear Information System (INIS)

    Zhu, Lin-Fan; Yuan, Hui; Jiang, Wei-Chun; Zhang, Fang-Xin; Yuan, Zhen-Sheng; Cheng, Hua-Dong; Xu, Ke-Zun

    2007-01-01

    The valence shell excitations of argon were investigated by an angle-resolved fast-electron energy-loss spectrometer at an incident electron energy of 2500 eV, and the transition multipolarities for the excitations of 3p→3d, 4d, 5s, and 5p were elucidated with the help of the calculated intermediate coupling coefficients using the COWAN code. The generalized oscillator strengths for the excitations to 3p 5 (3d,3d ' ), 3p 5 (5p,5p ' ), and 3p 5 (5s,4d) were measured, and the profiles of these generalized oscillator strength were analyzed. Furthermore, although the present experimental positions of the maxima for the electric-monopole and electric-quadrupole excitations in 3p→5p are in agreement with the theoretical calculations [Amusia et al., Phys. Rev. A 67, 022703 (2003)], the generalized oscillator strength profiles show obvious differences. In addition, the experimental generalized oscillator strength ratios for the electric-octupole transitions in 3p→3d are different from the theoretical prediction calculated by the COWAN code

  8. Energy of the 2p1h intruder state in $^{34}$Al

    CERN Multimedia

    The second 0$^{+}$ state in $^{34}$Si, of high importance for the understanding of the island of inversion at N=20, has been recently observed through the $\\beta$- decay of a predicted long-lived low-lying isomeric 1$^{+}$ state in $^{34}$Al. We intend to measure the unknown excitation energy of this isomer using the ISOLTRAP Penning-trap mass spectrometer. Since a recent experiment at ISOLDE (IS-530) showed that the full $\\beta$- strength in the decay of $^{34}$Mg goes through this 1$^{+}$ state in $^{34}$Al, we propose to perform a direct mass measurement of the daughter $^{34}$Al ions trapped after the decay of $^{34}$Mg. Mass measurements indicate that the 4$^{−}$ ground state in $^{34}$Al may be an excited state, the ground state being therefore the intruder 1$^{+}$ state. In another run, we propose to perform a remeasurement of the mass of the 4$^{−}$ ground state.

  9. Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory.

    Science.gov (United States)

    Plötner, Jürgen; Tozer, David J; Dreuw, Andreas

    2010-08-10

    Time-dependent density functional theory (TDDFT) with standard GGA or hybrid exchange-correlation functionals is not capable of describing the potential energy surface of the S1 state of Pigment Yellow 101 correctly; an additional local minimum is observed at a twisted geometry with substantial charge transfer (CT) character. To investigate the influence of nonlocal exact orbital (Hartree-Fock) exchange on the shape of the potential energy surface of the S1 state in detail, it has been computed along the twisting coordinate employing the standard BP86, B3LYP, and BHLYP xc-functionals as well as the long-range separated (LRS) exchange-correlation (xc)-functionals LC-BOP, ωB97X, ωPBE, and CAM-B3LYP and compared to RI-CC2 benchmark results. Additionally, a recently suggested Λ-parameter has been employed that measures the amount of CT in an excited state by calculating the spatial overlap of the occupied and virtual molecular orbitals involved in the transition. Here, the error in the calculated S1 potential energy curves at BP86, B3LYP, and BHLYP can be clearly related to the Λ-parameter, i.e., to the extent of charge transfer. Additionally, it is demonstrated that the CT problem is largely alleviated when the BHLYP xc-functional is employed, although it still exhibits a weak tendency to underestimate the energy of CT states. The situation improves drastically when LRS-functionals are employed within TDDFT excited state calculations. All tested LRS-functionals give qualitatively the correct potential energy curves of the energetically lowest excited states of P. Y. 101 along the twisting coordinate. While LC-BOP and ωB97X overcorrect the CT problem and now tend to give too large excitation energies compared to other non-CT states, ωPBE and CAM-B3LYP are in excellent agreement with the RI-CC2 results, with respect to both the correct shape of the potential energy curve as well as the absolute values of the calculated excitation energies.

  10. The structure of nuclear states at low, intermediate and high excitation energies

    International Nuclear Information System (INIS)

    Soloviev, V.G.

    1976-01-01

    It is shown that within the model based on the quasiparticle-phonon interaction one can obtain the description of few-quasiparticle components of nuclear states at low, intermediate and high excitation energies. For the low-lying states the energy of each level is calculated. The few-quasiparticle components at intermediate and high excitation energies are represented to be averaged in certain energy intervals and their characteri stics are given as the corresponding strength functions. The fragmentation of single-particle states in deformed nuclei is studied. It is shown that in the distribution of the single-particle strength alongside with a large maximum there appear local maxima and the distribution itself has a long tail. The dependence of neutron strength functions on the excitation energy is investigated for the transfer reaction of the type (d,p) and (d,t). The s,- p,- and d-wave neutron strength functions are calculated at the neutron binding energy Bn. A satisfactory agreement with experiment is obtained. The energies and Elambda-strength functions for giant multipole resonances in deformed nuclei are calculated. The energies of giant quadrupole and octupole resonances are calculated. Their widths and fine structure are being studied. It is stated that to study the structure of highly excited states it is necessary to find the values of many-quasiparticle components of the wave functions. The ways of experimental determination of these components based on the study of γ-transitions between highly excited states are discussed

  11. Study of a Quantum Dot in an Excited State

    Science.gov (United States)

    Slamet, Marlina; Sahni, Viraht

    We have studied the first excited singlet state of a quantum dot via quantal density functional theory (QDFT). The quantum dot is represented by a 2D Hooke's atom in an external magnetostatic field. The QDFT mapping is from an excited singlet state of this interacting system to one of noninteracting fermions in a singlet ground state. The results of the study will be compared to (a) the corresponding mapping from a ground state of the quantum dot and (b) to the similar mapping from an excited singlet state of the 3D Hooke's atom.

  12. On excited states in real-time AdS/CFT

    Energy Technology Data Exchange (ETDEWEB)

    Botta-Cantcheff, Marcelo; Martínez, Pedro J.; Silva, Guillermo A. [Instituto de Física de La Plata - CONICET & Departamento de Física - UNLP,C.C. 67, 1900 La Plata (Argentina)

    2016-02-25

    The Skenderis-van Rees prescription, which allows the calculation of time-ordered correlation functions of local operators in CFT’s using holographic methods is studied and applied for excited states. Calculation of correlators and matrix elements of local CFT operators between generic in/out states are carried out in global Lorentzian AdS. We find the precise form of such states, obtain an holographic formula to compute the inner product between them, and using the consistency with other known prescriptions, we argue that the in/out excited states built according to the Skenderis-Van Rees prescription correspond to coherent states in the (large-N) AdS-Hilbert space. This is confirmed by explicit holographic computations. The outcome of this study has remarkable implications on generalizing the Hartle-Hawking construction for wave functionals of excited states in AdS quantum gravity.

  13. Gutzwiller approach for elementary excitations in S = 1 antiferromagnetic chains

    International Nuclear Information System (INIS)

    Liu, Zheng-Xin; Zhou, Yi; Ng, Tai-Kai

    2014-01-01

    In a previous paper (Liu et al 2012 Phys. Rev. B 85 195144), a variational Monte Carlo method (based on Gutzwiller projected states) was generalized to S = 1 systems. This method provided very good trial ground states for the gapped phases of an S = 1 bilinear-biquadratic (BLBQ) Heisenberg chain. In this paper, we extend the approach to study the low-lying elementary excitations in S = 1 chains. We calculate the one-magnon and two-magnon excitation spectra of the BLBQ Heisenberg chain and the results agree very well with recent data in the literature. In our approach, the difference of the excitation spectrum between the Haldane phase and the dimer phase (such as the even/odd size effect) can be understood from their different topologies of the corresponding mean field theory. We especially study the Takhtajan–Babujian critical point. Despite the fact that the ‘elementary excitations’ are spin-1 magnons, which are different from the spin-1/2 spinons in Bethe solution, we show that the excitation spectrum, critical exponent (η=0.74) and central charge (c = 1.45) calculated from our theory agree well with the Bethe ansatz solution and conformal field theory predictions. (paper)

  14. Electron impact excitation out of the 23S metastable level of He

    International Nuclear Information System (INIS)

    Boffard, J.B.; Piech, G.A.; Lagus, M.E.; Anderson, L.W.; Chun C.L.

    1996-01-01

    Using a hollow cathode discharge as a source of He, the authors have measured absolute cross sections for electron excitation out of the 2S level of He into the n=2, 3, 4, and 5 triplet levels for energies up to 20 eV. Their results show a pattern of sharply peaked excitation functions into the n = 3, 4, and 5 3 S and 3 P levels, and comparatively broad excitation functions into the 3 D levels. The 2 3 P level has a remarkably broad excitation function, and its peak direct cross section is over 10 times the size of the next largest peak cross section observed. For energies above 20 eV, the authors use charge exchange of a fast He + beam with cesium to produce a primarily He target. This allows them to extend their measurements for selected triplet levels out to 1 keV. Their data indicate that even at this energy the excitations into the 3 3 S, 3 3 D, 4 3 D have not yet entered the Born regime. Comparisons with other theoretical calculations at low energies will be made

  15. Nonlinear excitations in biomolecules

    International Nuclear Information System (INIS)

    Peyrard, M.

    1995-01-01

    The aim of the workshop entitled ''Nonlinear Excitations in Biomolecules'' is to attempt to bridge the gap between the physicists and biologists communities which is mainly due to language and cultural barriers. The progress of nonlinear science in the last few decades which have shown that the combination of nonlinearity, which characterize most biological phenomena, and cooperative effects in a system having a large number of degrees of freedom, can give rise to coherent excitations with remarkable properties. New concepts, such as solitons nd nonlinear energy localisation have become familiar to physicists and applied mathematicians. It is thus tempting to make an analogy between these coherent excitations and the exceptional stability of some biological processes, such as for instance DNA transcription, which require the coordination of many events in the ever changing environment of a cell. Physicists are now invoking nonlinear excitations to describe and explain many bio-molecular processes while biologists often doubt that the seemingly infinite variety of phenomena that they are attempting to classify can be reduced to such simple concepts. A large part of the meeting is devoted to tutorial lectures rather than to latest research results. The book provides a pedagogical introduction to the two topics forming the backbone of the meeting: the theory of nonlinear excitations and solitons, and their application in biology; and the structure and function of biomolecules, as well as energy and charge transport in biophysics. In order to emphasize the link between physics and biology, the volume is not divided along these two topics but according to biological subjects. Each chapter starts with a short introduction attempting to help the reader to find his way among the contributions and point out the connection between them. 23 lectures over the 32 presented have been selected and refers to quantum properties of macro-molecules. (J.S.)

  16. Resonance Raman spectra of organic molecules absorbed on inorganic semiconducting surfaces: Contribution from both localized intramolecular excitation and intermolecular charge transfer excitation

    International Nuclear Information System (INIS)

    Ye, ChuanXiang; Zhao, Yi; Liang, WanZhen

    2015-01-01

    The time-dependent correlation function approach for the calculations of absorption and resonance Raman spectra (RRS) of organic molecules absorbed on semiconductor surfaces [Y. Zhao and W. Z. Liang, J. Chem. Phys. 135, 044108 (2011)] is extended to include the contribution of the intermolecular charge transfer (CT) excitation from the absorbers to the semiconducting nanoparticles. The results demonstrate that the bidirectionally interfacial CT significantly modifies the spectral line shapes. Although the intermolecular CT excitation makes the absorption spectra red shift slightly, it essentially changes the relative intensities of mode-specific RRS and causes the oscillation behavior of surface enhanced Raman spectra with respect to interfacial electronic couplings. Furthermore, the constructive and destructive interferences of RRS from the localized molecular excitation and CT excitation are observed with respect to the electronic coupling and the bottom position of conductor band. The interferences are determined by both excitation pathways and bidirectionally interfacial CT

  17. Molecular-alignment dependence in the transfer excitation of H2

    International Nuclear Information System (INIS)

    Wang, Y.D.; McGuire, J.H.; Weaver, O.L.; Corchs, S.E.; Rivarola, R.D.

    1993-01-01

    Molecular-alignment effects in the transfer excitation of H 2 by high-velocity heavy ions are studied using a two-step mechanism with amplitudes evaluated from first-order perturbation theory. Two-electron transfer excitation is treated as a result of two independent collision processes (excitation and electron transfer). Cross sections for each one-electron subprocess as well as the combined two-electron process are calculated as functions of the molecular-alignment angle. Within the independent-electron approximation, the dynamic roles of electron excitation and transfer in conjunction with molecular alignment are explored. While both excitation and transfer cross sections may strongly depend on molecular alignment, it is electron transfer that is largely responsible for the molecular-alignment dependence in the transfer excitation process. Interpretation of some experimental observations based on this model will also be discussed

  18. Neutralization mechanisms in He+-Al surface collisions

    International Nuclear Information System (INIS)

    Bajales, N.; Ferron, J.; Goldberg, E.C.

    2007-01-01

    From a quantum mechanical calculation where the populations of He ground and first excited states are properly taken into account, we can identify for the first time the neutralization to the He first excited state as an operative mechanism in He + -Al surface collisions. This identification allows us to understand the presence of high energy electrons in the ion induced electron emission spectra, through the inclusion of Auger deexcitation as an electron emission source, as well as to suggest a possible cause for the disagreement still found between theory and experiments in low energy ion scattering (LEIS) for this system

  19. A new analysis procedure to extract fusion excitation function with large beam energy dispersions: application to the 6Li+120Sn and 7Li+119Sn

    Directory of Open Access Journals (Sweden)

    Di Pietro Alessia

    2017-01-01

    Full Text Available In the present paper it is described an analysis procedure suited for experiments where cross-sections strongly varying with energy are measured using beams having large energy dispersion. These cross-sections are typically the sub-barrier fusion excitation function of reactions induced by radioactive beams. The large beam energy dispersion, typical of these experiments, can lead to ambiguities in the association of the effective beam energy to the reaction product yields and consequently to an error in the determination of the excitation function. As a test case, the approach is applied to the experiments 6Li+120Sn and 7Li+119Sn measured in the energy range 14 MeV ≤ Ec.m. ≤28 MeV. The complete fusion cross sections are deduced from activation measurements using the stacked target technique. The results of these experiments, that employ the two weakly-bound stable Li isotopes, show that the complete fusion cross sections above the barrier are suppressed of about 70% and 85% with respect to the Universal Fusion Function, used as a standard reference, in the 6Li and 7Li induced reactions respectively. Moreover, the excitation functions of the two systems at energies below the barrier, do not show significant differences, despite the two systems have different n-transfer Qvalue.

  20. On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

    International Nuclear Information System (INIS)

    Zarycz, M. Natalia C.; Provasi, Patricio F.; Sauer, Stephan P. A.

    2015-01-01

    It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH 4 , NH 3 , H 2 O, SiH 4 , PH 3 , SH 2 , C 2 H 2 , C 2 H 4 , and C 2 H 6 . The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states

  1. Working group report on ion-impact excitation: Recommended database for ion-impact excitation of atomic hydrogen

    International Nuclear Information System (INIS)

    Fritsch, W.; Olson, R.E.; Schartner, K.H.; Belkic, D.S.

    1989-01-01

    This report discusses (i) proton impact excitation, and (ii) excitation by ion collisions (from helium ions to iron ions) of atomic hydrogen, both for H(1s) and H(n>1), where where n = the principal quantum number, in the energy range from 1 keV/amu to 2 MeV/amu and 10 MeV/amu, respectively. For the range of ions considered, a few generic plots are given for the total cross section as a function of E/q, where E is the beam energy, for different values q (ion charge in units of proton charge) and different final principal quantum numbers. 12 refs, 3 figs

  2. Nuclear-excited Feshbach resonances in the electron scattering from hydrogen halides

    International Nuclear Information System (INIS)

    Knoth, G.; Gote, M.; Radle, M.; Jung, K.; Ehrhardt, H.

    1989-01-01

    The energy dependences of the differential cross sections for the electron impact excitation of the higher vibrational levels (v=2 and v=3) of HF and HCl have been measured. Besides the threshold peak a resonance structure has been observed in the v=3 excitation functions of HF below the cusp structure at the opening of the v=4 channel. This resonance structure is the first experimental proof for the existence of the nuclear-excited Feshbach resonances which are interpreted to be the origin of the threshold peaks in the vibrational excitation channels

  3. Angular distribution of hypersatellite and satellite radiation emitted after resonant and excitation into $U^{91+}$ ions

    CERN Document Server

    Zakowicz, S; Harman, Z; Scheid, W

    2003-01-01

    In collisions of heavy few-electron projectile ions with light targets, an electron can be transferred from the target with the simultaneous excitation of a projectile electron. We study the angular distribution of de-excitation X rays following the resonant capture process. Our results are compared to experimental values of Ma et al. [Phys. Rev. A (joint to this issue)] for collisions of U91+ ions with a hydrogen gas target.

  4. Kinetics studies following state-selective laser excitation

    International Nuclear Information System (INIS)

    Keto, J.W.

    1994-04-01

    The objective of this contract was the study of state-to-state, electronic energy transfer reactions relevant to the excited state chemistry observed in discharges. We studied deactivation reactions and excitation transfer in collisions of excited states of xenon and krypton atoms with Ar, Kr, Xe and chlorine. The reactant states were excited selectively in two-photon transitions using tunable u.v. and v.u.v. lasers. Excited states produced by the collision were observed by their fluorescence. Reaction rates were measured by observing the time dependent decay of signals from reactant and product channels. In addition we measured interaction potentials of the reactants by laser spectroscopy where the laser induced fluorescence or ionization is measured as a function of laser wavelength (excitation spectra) or by measuring fluorescence spectra at fixed laser frequencies with monochromators. The spectra were obtained in the form of either lineshapes or individual lines from rovibrational transitions of bound states. Our research then required several categories of experiments in order to fully understand a reaction process: 1. High resolution laser spectroscopy of bound molecules or lineshapes of colliding pairs is used to determine potential curves for reactants. 2. Direct measurements of state-to-state reaction rates were measured by studying the time dependent loss of excited reactants and the time dependent formation of products. 3. The energy selectivity of a laser can be used to excite reactants on an excited surface with controlled internuclear configurations. For free states of reactants (as exist in a gas cell) this has been termed laser assisted reactions, while for initially bound states (as chemically bound reactants or dimers formed in supersonic beams) the experiments have been termed photo-fragmentation spectroscopy

  5. Benchmarking singlet and triplet excitation energies of molecular semiconductors for singlet fission: Tuning the amount of HF exchange and adjusting local correlation to obtain accurate functionals for singlet-triplet gaps

    Science.gov (United States)

    Brückner, Charlotte; Engels, Bernd

    2017-01-01

    Vertical and adiabatic singlet and triplet excitation energies of molecular p-type semiconductors calculated with various DFT functionals and wave-function based approaches are benchmarked against MS-CASPT2/cc-pVTZ reference values. A special focus lies on the singlet-triplet gaps that are very important in the process of singlet fission. Singlet fission has the potential to boost device efficiencies of organic solar cells, but the scope of existing singlet-fission compounds is still limited. A computational prescreening of candidate molecules could enlarge it; yet it requires efficient methods accurately predicting singlet and triplet excitation energies. Different DFT formulations (Tamm-Dancoff approximation, linear response time-dependent DFT, Δ-SCF) and spin scaling schemes along with several ab initio methods (CC2, ADC(2)/MP2, CIS(D), CIS) are evaluated. While wave-function based methods yield rather reliable singlet-triplet gaps, many DFT functionals are shown to systematically underestimate triplet excitation energies. To gain insight, the impact of exact exchange and correlation is in detail addressed.

  6. Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet Transitions.

    Science.gov (United States)

    Li, Zhendong; Liu, Wenjian

    2016-01-12

    A benchmark set of 11 small radicals is set up to assess the performance of time-dependent density functional theory (TD-DFT) for the excited states of open-shell systems. Both the unrestricted (U-TD-DFT) and spin-adapted (X-TD-DFT) formulations of TD-DFT are considered. For comparison, the well-established EOM-CCSD (equation-of-motion coupled-cluster with singles and doubles) is also used. In total, 111 low-lying singly excited doublet states are accessed by all the three approaches. Taking the MRCISD+Q (multireference configuration interaction with singles and doubles plus the Davidson correction) results as the benchmark, it is found that both U-TD-DFT and EOM-CCSD perform well for those states dominated by singlet-coupled single excitations (SCSE) from closed-shell to open-shell, open-shell to vacant-shell, or closed-shell to vacant-shell orbitals. However, for those states dominated by triplet-coupled single excitations (TCSE) from closed-shell to vacant-shell orbitals, both U-TD-DFT and EOM-CCSD fail miserably due to severe spin contaminations. In contrast, X-TD-DFT provides balanced descriptions of both SCSE and TCSE. As far as the functional dependence is concerned, it is found that, when the Hartree-Fock ground state does not suffer from the instability problem, both global hybrid (GH) and range-separated hybrid (RSH) functionals perform grossly better than pure density functionals, especially for Rydberg and charge-transfer excitations. However, if the Hartree-Fock ground state is instable or nearly instable, GH and RSH tend to underestimate severely the excitation energies. The SAOP (statistically averaging of model orbital potentials) performs more uniformly than any other density functionals, although it generally overestimates the excitation energies of valence excitations. Not surprisingly, both EOM-CCSD and adiabatic TD-DFT are incapable of describing excited states with substantial double excitation characters.

  7. Electron excitation cross sections for some Ar I 5d (J = 2) levels

    International Nuclear Information System (INIS)

    Blanco, F.; Sanchez, J.A.; Campos, J.

    1992-01-01

    Absolute excitation cross sections by electron impact for some 5d levels with J = 2 of Ar I have been measured by the optical method. Excitation functions for electron energies in the range from the excitation threshold to 1000 eV are also reported. A delayed coincidence analysis of the de-excitation at 100 eV electron energy allowed for the subtraction of radiative cascades. The resulting excitation cross sections are between 7.3 and 12x10 -20 cm 2 . (author)

  8. Coherence resonance in an excitable system with time delay

    International Nuclear Information System (INIS)

    Sethia, Gautam C.; Kurths, Juergen; Sen, Abhijit

    2007-01-01

    We study the noise activated dynamics of a model excitable system that consists of a subcritical Hopf oscillator with a time delayed nonlinear feedback. The coherence of the noise driven pulses of the system exhibits a novel double peaked structure as a function of the noise amplitude. The two peaks correspond to separate optimal noise levels for excitation of single spikes and multiple spikes (bursts) respectively. The relative magnitudes of these peaks are found to be a sensitive function of time delay. The physical significance of our results and its practical implications in various real life systems are discussed

  9. Melanin fluorescence spectra by step-wise three photon excitation

    Science.gov (United States)

    Lai, Zhenhua; Kerimo, Josef; DiMarzio, Charles A.

    2012-03-01

    Melanin is the characteristic chromophore of human skin with various potential biological functions. Kerimo discovered enhanced melanin fluorescence by stepwise three-photon excitation in 2011. In this article, step-wise three-photon excited fluorescence (STPEF) spectrum between 450 nm -700 nm of melanin is reported. The melanin STPEF spectrum exhibited an exponential increase with wavelength. However, there was a probability of about 33% that another kind of step-wise multi-photon excited fluorescence (SMPEF) that peaks at 525 nm, shown by previous research, could also be generated using the same process. Using an excitation source at 920 nm as opposed to 830 nm increased the potential for generating SMPEF peaks at 525 nm. The SMPEF spectrum peaks at 525 nm photo-bleached faster than STPEF spectrum.

  10. Multi-frequency excitation

    KAUST Repository

    Younis, Mohammad I.

    2016-03-10

    Embodiments of multi-frequency excitation are described. In various embodiments, a natural frequency of a device may be determined. In turn, a first voltage amplitude and first fixed frequency of a first source of excitation can be selected for the device based on the natural frequency. Additionally, a second voltage amplitude of a second source of excitation can be selected for the device, and the first and second sources of excitation can be applied to the device. After applying the first and second sources of excitation, a frequency of the second source of excitation can be swept. Using the methods of multi- frequency excitation described herein, new operating frequencies, operating frequency ranges, resonance frequencies, resonance frequency ranges, and/or resonance responses can be achieved for devices and systems.

  11. Search for excited superdeformed bands in {sup 151}Dy

    Energy Technology Data Exchange (ETDEWEB)

    Nisius, D.; Janssens, R.V.F.; Crowell, B. [and others

    1995-08-01

    Following the first report of superdeformed (SD) bands with identical transition energies in the pairs ({sup 151}Tb*,{sup 152}Dy), ({sup 150}Gd*, {sup 151}Tb) and ({sup 153}Dy*, {sup 152}Dy) (where * denotes an excited SD band), it was proposed by Nazarewicz et al. that the observations could be understood in a strong-coupling approach if pseudo SU(3) symmetry were invoked. In this model there are three limiting values of the decoupling parameter; i.e. a = 0, {plus_minus}1. In the first two cases mentioned above the pairs of bands have nearly identical transition energies and are interpreted as proton excitations involving the [200]1/2 pseudospin orbital coupled to the {sup 152}Dy core, for which the value of the decoupling parameter is calculated to be a =+1.

  12. Nuclear quantum effects on the nonadiabatic decay mechanism of an excited hydrated electron

    Science.gov (United States)

    Borgis, Daniel; Rossky, Peter J.; Turi, László

    2007-11-01

    We present a kinetic analysis of the nonadiabatic decay mechanism of an excited state hydrated electron to the ground state. The theoretical treatment is based on a quantized, gap dependent golden rule rate constant formula which describes the nonadiabatic transition rate between two quantum states. The rate formula is expressed in terms of quantum time correlation functions of the energy gap and of the nonadiabatic coupling. These gap dependent quantities are evaluated from three different sets of mixed quantum-classical molecular dynamics simulations of a hydrated electron equilibrated (a) in its ground state, (b) in its first excited state, and (c) on a hypothetical mixed potential energy surface which is the average of the ground and the first excited electronic states. The quantized, gap dependent rate results are applied in a phenomenological kinetic equation which provides the survival probability function of the excited state electron. Although the lifetime of the equilibrated excited state electron is computed to be very short (well under 100fs), the survival probability function for the nonequilibrium process in pump-probe experiments yields an effective excited state lifetime of around 300fs, a value that is consistent with the findings of several experimental groups and previous theoretical estimates.

  13. Low-lying excited states by constrained DFT

    Science.gov (United States)

    Ramos, Pablo; Pavanello, Michele

    2018-04-01

    Exploiting the machinery of Constrained Density Functional Theory (CDFT), we propose a variational method for calculating low-lying excited states of molecular systems. We dub this method eXcited CDFT (XCDFT). Excited states are obtained by self-consistently constraining a user-defined population of electrons, Nc, in the virtual space of a reference set of occupied orbitals. By imposing this population to be Nc = 1.0, we computed the first excited state of 15 molecules from a test set. Our results show that XCDFT achieves an accuracy in the predicted excitation energy only slightly worse than linear-response time-dependent DFT (TDDFT), but without incurring into problems of variational collapse typical of the more commonly adopted ΔSCF method. In addition, we selected a few challenging processes to test the limits of applicability of XCDFT. We find that in contrast to TDDFT, XCDFT is capable of reproducing energy surfaces featuring conical intersections (azobenzene and H3) with correct topology and correct overall energetics also away from the intersection. Venturing to condensed-phase systems, XCDFT reproduces the TDDFT solvatochromic shift of benzaldehyde when it is embedded by a cluster of water molecules. Thus, we find XCDFT to be a competitive method among single-reference methods for computations of excited states in terms of time to solution, rate of convergence, and accuracy of the result.

  14. Exciter switch

    Science.gov (United States)

    Mcpeak, W. L.

    1975-01-01

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

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

    Science.gov (United States)

    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).

  16. Description of excitations in odd nonmagic nuclei by the Green's function method

    International Nuclear Information System (INIS)

    Avdeenkov, A.V.; Kamerdzhiev, S.P.

    1999-01-01

    General equations for single-particle Green's functions in nonmagic nuclei have been derived. A pairing mechanism similar to the Bardeen-Cooper-Schrieffer mechanism is singled out explicitly in these equations. A refining procedure for phenomenological single-particle energies and for the gap has been developed to avoid doubly taking into account mixing with phonons for the situation in which the input data for the problem in question are formulated in terms of these phenomenological quantities. The resulting general equations are written within the second-order approximation in the phonon-creation amplitude. This corresponds to taking into account quasiparticle(multiply-in-circle sign)phonon configuration and is shown to be a fairly good approximation for semimagic nuclei. A secular equation for calculating excitations in odd nuclei that takes fully into account ground-state correlations and which is invariant under the reversal of the sign of the energy variable has been derived in this approximation. Distributions of single-particle strengths have been computed for 119 Sn and 121 Sn. Reasonably good agreement with available experimental data has been obtained

  17. Evaluation of Complete Fusion Excitation Functions for 42≤ZpZT≤2000

    International Nuclear Information System (INIS)

    Al-Haydari, A.; Abdelghany, A.A.; Hassan, G. S.

    2011-01-01

    For fusion channels, there are two main parameters, namely the separating distance of the two colliding nuclei and the fusion barrier, which are aken as the more interest points guiding to fit the excitation functions of fusion. Interpretations and differentiations are made on different forms to deduce all concerned variables. On the other hand, the maximum values of angular momentum 1 m ax , represents the upper limit of summing all the partial parts for fusion cross section The effect of that limiting value as well as the effects of the two main parameters are checked along iwde range of energies for different heavy ion reacting pairs in comparison with the more recently measured data for sub-barrier and complete fusion channels . Also comparisons with both 1 f us and 1 c r, taken as limiting values were displayed. The effect of the nuclear part of the barrier height and approximation techniques have been checked point out the highly differentiated ones .parameterization that could be made on the imperical forms, are also displayed and tested.

  18. Pilot testing of a hydraulic bridge exciter

    Directory of Open Access Journals (Sweden)

    Andersson Andreas

    2015-01-01

    Full Text Available This paper describes the development of a hydraulic bridge exciter and its first pilot testing on a full scale railway bridge in service. The exciter is based on a hydraulic load cylinder with a capacity of 50 kN and is intended for controlled dynamic loading up to at least 50 Hz. The load is applied from underneath the bridge, enabling testing while the railway line is in service. The system is shown to produce constant load amplitude even at resonance. The exciter is used to experimentally determine frequency response functions at all sensor locations, which serve as valuable input for model updating and verification. An FE-model of the case study bridge has been developed that is in good agreement with the experimental results.

  19. From fusion hierarchy to excited state TBA

    International Nuclear Information System (INIS)

    Juettner, G.; Kluemper, A.

    1998-01-01

    Functional relations among the fusion hierarchy of quantum transfer matrices give a novel derivation of the TBA equations, namely without string hypothesis. This is demonstrated for two important models of 1D highly correlated electron systems, the supersymmetric t-J model and the supersymmetric extended Hubbard model. As a consequence, ''the excited state TBA'' equations, which characterize correlation lengths, are explicitly derived for the t-J model. To the authors' knowledge, this is the first explicit derivation of excited state TBA equations for 1D lattice electron systems. (orig.)

  20. Fission excitation function for 19F + 194,196,198Pt at near and above barrier energies

    Directory of Open Access Journals (Sweden)

    Singh Varinderjit

    2015-01-01

    Full Text Available Fission excitation functions for 19F + 194,196,198Pt reactions populating 213,215,217Fr compound nuclei are reported. Out of these three compound nuclei, 213Fr is a shell closed (N=126 compound nucleus and the other two are away from the shell closure. From a comparison of the experimental fission cross-sections with the statistical model predictions, it is observed that the fission cross-sections are underestimated by the statistical model predictions using shell corrected finite range rotating liquid drop model (FRLDM fission barriers. Further the FRLDM fission barriers are reduced to fit the fission cross-sections over the entire measured energy range.

  1. Coherence in electron-impact excitation of helium

    International Nuclear Information System (INIS)

    Batelaan, Hermanus.

    1991-01-01

    This thesis describes an experimental study into the electron-impact excitation to the 3 3 P, 3 1 D and 3 3 D states of Helium. The scattered electron and the photon, emitted by the excited atom, are measured in coincidence. The parameters, which can be varied, are the scattering angle and the kinetic energy of the projectile. Two parameters, which are used to characterize the excited state, are the angular momentum transferred to the atom, L perpendicular, and the alignment angle γ. It is shown that results of measurements on 3 1 D excitation with photon detection perpendicular to the scattering plane do not agree in the small scattering angle region with any of the model calculations currently available. Remarkable is the sign of L perpendicular, which appears to start of negatively at 60 eV. It is shown that for 3 3 P excitation the predicted large value of γ is indeed found experimentally. This supports the suggestion that exchange scattering is underestimated in model calculations for 1 P excitation. Another result is that for 1 P and 3 P excitation the behaviour of L perpendicular as a function of the scattering angle can be related at different impact energies with the help of a partial wave expansion. A scaling relation can be formulated for the behaviour of L perpendicular. The influence of a negative ion resonance to excitation of the 3 3 D state is investigated. Both in coincidence and non-coincidence measurements the presence of the resonance yields information on both the direct and indirect excitation of the 3 3 D state. It is shown that the coincident measurement gives an unique opportunity to determine the excited 3 3 D state completely. Results of measurements with photon detection in the scattering plane are given. They supplement previous 3 1 D and 3 3 D results and allow physical parameters, such as L perpendicular and γ, to be obtained. (H.W.). 132 refs.; 20 figs.; 18 tabs

  2. Analytical formulation for modulation of time-resolved dynamical Franz-Keldysh effect by electron excitation in dielectrics

    Science.gov (United States)

    Otobe, T.

    2017-12-01

    Analytical formulation of subcycle modulation (SCM) of dielectrics including electron excitation is presented. The SCM is sensitive to not only the time-resolved dynamical Franz-Keldysh effect (Tr-DFKE) [T. Otobe et al., Phys. Rev. B 93, 045124 (2016), 10.1103/PhysRevB.93.045124], which is the nonlinear response without the electron excitation, but also the excited electrons. The excited electrons enhance the modulation with even harmonics of pump laser frequency, and generate the odd-harmonics components. The new aspect of SCM is a consequence of (i) the interference between the electrons excited by the pump laser and those excited by the probe-pulse laser and (ii) oscillation of the generated wave packed by the pump laser. When the probe- and pump-pulse polarizations are parallel, the enhancement of the even harmonics and the generation of the odd-harmonics modulation appear. However, if the polarizations are orthogonal, the effect arising from the electron excitations becomes weak. By comparing the parabolic and cosine band models, I found that the electrons under the intense laser field move as quasifree particles.

  3. Viewing instructions accompanying action observation modulate corticospinal excitability

    Directory of Open Access Journals (Sweden)

    David James Wright

    2016-02-01

    Full Text Available Action observation interventions may have the potential to contribute to improved motor function in motor (relearning settings by promoting functional activity and plasticity in the motor regions of the brain. Optimal methods for delivering such interventions, however, have yet to be established. This experiment investigated the effect on corticospinal excitability of manipulating the viewing instructions provided to participants (N = 21 prior to action observation. Specifically, motor evoked potential responses measured from the right hand muscles following single-pulse transcranial magnetic stimulation to the left motor cortex were compared when participants were instructed to observe finger-thumb opposition movement sequences: (i passively; (ii with the intent to imitate the observed movement; or (iii whilst simultaneously and actively imagining that they were performing the movement as they observed it. All three action observation viewing instructions facilitated corticospinal excitability to a greater extent than did observation of a static hand. In addition, the extent to which corticospinal excitability was facilitated was greater during combined observation and imagery, compared to passive observation. These findings have important implications for the design of action observation interventions in motor (relearning settings, where instructions that encourage observers to simultaneously imagine themselves performing the observed movement may offer the current optimal method for improving motor function through action observation.

  4. The MRCI studies of low-lying electronic states of Al.sub.3./sub. and Al.sup.-./sup.3

    Czech Academy of Sciences Publication Activity Database

    Czernek, Jiří; Živný, Oldřich

    2011-01-01

    Roč. 512, 1-3 (2011), s. 40-43 ISSN 0009-2614 R&D Projects: GA ČR GAP205/11/2070 Institutional research plan: CEZ:AV0Z40500505; CEZ:AV0Z20430508 Keywords : Al3 * excitations * MRCI Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 2.337, year: 2011

  5. Core excitation and de-excitation spectroscopies of free atoms and molecules

    International Nuclear Information System (INIS)

    Ueda, Kiyoshi

    2006-01-01

    This article provides a review of the current status of core excitation and de-excitation spectroscopy studies of free atoms molecules using a high-resolution soft X-ray monochromator and a high-resolution electron energy analyzer, installed in the soft X-ray photochemistry beam line at SPring-8. Experimental results are discussed for 1s excitation of Ne, O 1s excitation of CO and H 2 O, and F 1s excitation of CF 4 . (author)

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

    Science.gov (United States)

    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.

  7. Excitation mechanisms for XUV and X-ray lasers

    International Nuclear Information System (INIS)

    El-Sherbini, T.M.; Arrubban, M.M.

    1992-01-01

    Two excitation mechanisms leading to lasing action in the extreme ultraviolet and soft X-ray spectral regions are proposed. Boron- like ions of Mg VIII, Al IX and Si X plasmas are used as the active laser material. The upper laser level is the metastable 1s 2 2s 2 4p( 2 p) state while the lower level is the short lived 1s 2 2s 2 3d( 2 D) state. (author). 10 refs, 1 fig., 3 tabs

  8. The physiological basis of Glottal electromagnetic micropower sensors (GEMS) and their use in defining an excitation function for the human vocal tract

    Science.gov (United States)

    Burnett, Gregory Clell

    1999-10-01

    The definition, use, and physiological basis of Glottal Electromagnetic Micropower Sensors (GEMS) is presented. These sensors are a new type of low power (excitation function for the human vocal tract. For the first time, an excitation function may be calculated in near real time using a noninvasive procedure. Several experiments and models are presented to demonstrate that the GEMS signal is representative of the motion of the subglottal posterior wall of the trachea as it vibrates in response to the pressure changes caused by the folds as they modulate the airflow supplied by the lungs. The vibrational properties of the tracheal wall are modeled using a lumped-element circuit model. Taking the output of the vocal tract to be the audio pressure captured by a microphone and the input to be the subglottal pressure, the transfer function of the vocal tract (including the nasal cavities) can be approximated every 10-30 milliseconds using an autoregressive moving-average model. Unlike the currently utilized method of transfer function approximation, this new method only involves noninvasive GEMS measurements and digital signal processing and does not demand the difficult task of obtaining precise physical measurements of the tract and subsequent estimation of the transfer function using its cross-sectional area. The ability to measure the physical motion of the trachea enables a significant number of potential applications, ranging from very accurate pitch detection to speech synthesis, speaker verification, and speech recognition.

  9. Final results for the excitation function and angular distributions of the 3H(d,n)4He reaction

    International Nuclear Information System (INIS)

    Tang Hongqing; Zhou Zuying; Qi Bujia; Zhou Chenwei; Du Yanfeng; Xia Haihong; Chen Zemin; Chen Zhenpeng; Chen Yingtang

    1998-01-01

    The final relative excitation function of the 3 H(d,n) 4 He rection at 0 degree is shown out. For comparison, a curve calculated from Drosg's HI-13 tandem is in progressplotted. The angular distributions of the 3 H(d,n) 4 He reaction at E d =13.36, 16.50 and 19.50 Mev in the center-of-mass system are shown out. A comparison of the legendre polynomial coefficients obtained from the present angular distribution data with Drosg's evaluation are reported

  10. Measuring the validation of assessing the non-dominant-hand function by ALSFRS-r in Chinese ALS patients.

    Science.gov (United States)

    Hu, Fangfang; Jin, Jiaoting; Jia, Rui; Xiang, Li; Qi, Huaguang; Zhao, Xing; Dang, Jingxia

    2017-12-01

    ALSFRS-r is a widely accepted rating scale for measuring the global function of Amyotrophic Lateral Sclerosis (ALS) patients, but we found some limitations of ALSFRS-r in assessing the function of non-dominant hand in Chinese ALS patients. We reviewed 95 ALS patients who expressed upper-limb symptoms at first visit and analyzed the ALSFRS-r score and subscale. In both upper limb involved patients, the ALSFRS-r had no difference between dominant-hand and non-dominant-hand onset groups (39.15±5.55 vs 38.0±5.91, p=0.477). But in only one upper limb involved patients, the ALSFRS-r score in non-dominant-hand onset patients was higher than dominant-hand onset patients (43.94±3.44 vs 40.87±4.42, pr score was significantly lower than original ALSFRS-r (43.94±3.44 vs 42.88±3.07 p=0.001), the progression rate was slower (0.81±0.63 vs 0.64±0.63, p=0.001). So, for Chinese ALS patients, using food bowl and chopsticks should replace the item of cutting food and handling utensils to assess the non-dominant-hand function, especially in non-dominant-hand onset patients. Copyright © 2017. Published by Elsevier Ltd.

  11. Efficient excitation of nonlinear phonons via chirped pulses: Induced structural phase transitions

    Science.gov (United States)

    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.

  12. Analysis of correlation effects in autoionizing doubly excited states of barium using Coulomb Green's function

    International Nuclear Information System (INIS)

    Poirier, M.

    1997-01-01

    Though one would expect that large-angular momentum doubly excited states exhibit weak electronic correlations, it is shown in this paper that a first-order perturbation theory ignoring such correlations may completely fail in predicting correct autoionization probabilities: quadrupolar transitions are poorly described by lowest-order perturbation theory, except for very large angular momenta. Inclusion of second-order dipole-dipole term considerably improves the accuracy of the method. This effect is computed using Coulomb Green's function in its analytical form, probably applied here for the first time to autoionization processes. Examples are given in barium for 5d j 5g [k[ states (j=3/2, 5/2) and for 5d 5/2 nl [k[ states with l > 4. (orig.)

  13. Excitation equilibria in plasmas; a classification

    International Nuclear Information System (INIS)

    Mullen, J.A.M. van der

    1990-01-01

    This review gives a classification of the excitation kinetics ruled by electrons in plasmas. It is a study on the atomic state distribution function (ASDF) and its relation with underlying processes, which, for the case of an electron excitation kinetics (EEK) plasma, is merely a competition between free and bound electrons, the same particles in different circumstances. In a quasi steady state the population density of an atomic state results from production-destruction balances in equilibrium. If all balances are proper, i.e., consist of each other's inverse processes, then the ASDF is described by the Boltzmann-Saha relation. In other cases the balance will be denoted as improper, the ASDF will deviate from the equilibrium shape, but reflecting the underlying improper balances, it may give information about the plasma. Four improper balances and their impact on the ASDF are dealt with. An important feature is that improper balances are associated with particle transport. Special attention is paid to the distribution function of the excitation saturation balance in which the overpopulated bound electrons are subjected to frequent interactions with free electrons and the energy distribution of the free electrons is taken over. This distribution, denoted as the bound Maxwell distribution, is experimentally found in several ionizing plasmas. Its recombining counterpart, the deexcitation saturation balance, creates under certain conditions inversion in the ASDF, the basis for the recombination laser. (orig.)

  14. Fast response of the optical nonlinearity in a GaAs/AlGaAs asymmetric triple quantum well structure

    CERN Document Server

    Ahn, S H; Sawaki, N

    1999-01-01

    The time response of the optical nonlinear behavior in a GaAs/AlGaAs asymmetric triple quantum well structure is estimated by using a picosecond pump-probe method at 77 K. From the results of the transmission of the probe pulse as a function of the delay time at the excitation wavelengths, a rise time of 5 approx 10 ps and a fall time of 8 approx 16 ps are obtained. The nonlinear behavior is attributed to the triple resonance of the electronic states due to the build-up of the internal field induced by the separation of photo-excited electrons and holes. It is found that the rise time is determined by the tunneling transfer time of the electrons in the narrowest well to an adjacent well separated by a thin potential barrier.

  15. Electrodeposition of Ni–W–Al{sub 2}O{sub 3} nanocomposite coating with functionally graded microstructure

    Energy Technology Data Exchange (ETDEWEB)

    Allahyarzadeh, M.H.; Aliofkhazraei, M., E-mail: maliofkh@gmail.com; Rouhaghdam, A.R. Sabour; Torabinejad, V.

    2016-05-05

    Electrodeposition of functionally graded (FG) Ni–W–Al{sub 2}O{sub 3} nanocomposite coatings is investigated in current research. These types of coatings were applied in a way that alumina content was increased from the substrate towards the surface of the coating; hence, Ni–W would possess improved wear and corrosion resistance properties. FG-coatings were developed by the variation of duty cycle and frequency. The microstructure and elemental analysis of the coating as a function of thickness was investigated using scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS) analysis, respectively. The corrosion resistance of the FG-coatings was evaluated using potentiodynamic polarization and the wear behavior was also studied using pin-on-disk wear tests. In order to investigate hardness properties of the coating, microhardness measurements were carried out on cross-section of coatings. Results revealed that the alumina content and the microhardness increased towards the surface. Results also showed the corrosion and wear resistance of FG-coatings were significantly improved by addition of α-Al{sub 2}O{sub 3} nanoparticles. Profilometery and AFM results also revealed that surface roughness was influenced by pulse plating parameters. - Highlights: • Functionally graded structures have been synthesized using adjusting pulse parameters. • Al{sub 2}O{sub 3} and W contents increases gradually as a function of coating thickness. • Alumina increased the corrosion resistance by moderating i{sub corr} and E{sub corr}. • Wear behavior has been enhanced in functionally graded structure.

  16. Fusion barrier distributions from capture and quasi-elastic excitation functions measured in reaction 36S, 48Ca, 64Ni+238U

    International Nuclear Information System (INIS)

    Kozulin, E. M.

    2009-01-01

    The subbarrier fusion enhancement in reactions with heavy ions were explained by taking into account coupling between relative motion and intrinsic degrees of freedom of interacting nuclei. The coupling of reaction channels manifests itself in the potential barrier between interacting nuclei giving rise to a distribution of fusion barrier instead of single barrier.Capture and quasi-elastic scattering excitation functions at backward angles were measured for 3 6S , 4 8C a, 6 4N i+2 38U reactions systems at energies close and below the Coulomb barrier (i.e. when the influence of the shell effects on the fusion and characteristics of the decay of the composite system is considerable). Representations of the barrier distributions were extracted from both capture and quasi-elastic data. The experimental representations of barrier distributions were compared with coupled-channel calculations using CCFULL code. The major part of these experiments has been performed at the U-400 accelerator of the Flerov Laboratory of Nuclear Reactions (JINR, Dubna); at the TANDEM-ALPI accelerator of the LNL (INFN, Legnaro, Italy) and at the Accelerator Laboratory of University of Jyvaeskylae (JYFL, Finland) using a time-of-flight spectrometer of fission fragments CORSET (CORrelation SET-up.) The extraction of the masses and Total Kinetic Energy (TKE) of the binary reaction products is based upon the analysis of the two-body velocity In the case of the fusion-fission and quasi-fission processes, the observed peculiarities of mass and energy distributions of the fragments, the ratio between the fusion-fission and quasi-fission cross sections are determined deformations of interaction nuclei and angular momentum carried in the di-nuclear system and the shell structure of the formed fragments. In this work, the high-precision capture and quasi-elastic scattering excitation function data are presented.The influence of projectile and target excitations and nucleon transfer on fusion barrier

  17. Magnetic field effects on the fluorescence of Cr3+ in GdAlO3

    International Nuclear Information System (INIS)

    Helman, J.S.; Carvalho, R.A.; Panepucci, H.; Terrile, M.C.; Aegerter, M.A.; Soarez, E.

    1979-01-01

    The fluorescence spectrum of Cr 3+ in GdAlO 3 has been examined at 4.2 K as a function of magnetic field up to 60 kG. The resulting splitting of the 2 E → 4 A 2 emission lines are explained in terms of a modified molecular field approximation, which incorporates the effect of the spin fluctuations. The exchange constant in the relaxed excited state is found to be 1.2 cm -1 which differs from that reported from absorption data. It is suggested that the difference may be related to the Franck-Condon effect. (author)

  18. 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.

    Science.gov (United States)

    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.

  19. Mean excitation energies for use in Bethe's stopping-power formula

    International Nuclear Information System (INIS)

    Berger, M.J.; Seltzer, S.M.

    1983-01-01

    A review has been made of the mean excitation energies that can be derived from the analysis of stopping-power and range measurements, and from semi-empirical dipole oscillator-strength distributions for gases and dielectric-response functions for solids. On the basis of this review, mean excitation energies have been selected for 43 elemental substances and 54 compounds. Additivity rules have also been considered which allow one to estimate the mean excitation energies for compounds for which no direct data are available. These additivity rules are based on the use of mean excitation energies for atomic constituents which, to a certain extent, take into account the effects of chemical binding and physical aggregation

  20. Laser-excited photoluminescence of three-layer GaAs double-heterostructure laser material

    International Nuclear Information System (INIS)

    Nash, F.R.; Dixon, R.W.; Barnes, P.A.; Schumaker, N.E.

    1975-01-01

    The successful fabrication of high-quality DH GaAs lasers from a simplified three-layer structure is reported. A major asset of this structure is the transparency of its final layer to recombination radiation occurring in the active layer, thus permitting the use of nondestructive photoluminescent techniques for material evaluation prior to device fabrication. In the course of photoluminescence investigations on this material the additional important observation has been made that indirect excitation (in which photocarriers are generated in the top ternary layer) has significant advantages over direct excitation (in which photocarriers are generated directly in the active layer). These include (i) the direct measurement of Al concentrations in both upper layers, (ii) the measurements of the minority-carrier diffusion length in the upper layer, (iii) an easily obtained indication of taper in the thickness of the upper layer, and (iv) surprisingly effective excitation of the active layer. By combining direct and indirect excitation it is shown that a clearer understanding of the location and detrimental influences of defects in the GaAs laser structure may be obtained. For example, the width of the region of reduced luminescence associated with many defects is found to be very excitation dependent and is confirmed to arise fr []m reduced active region luminescence. The photoluminescent excitation techniques described should be useful in the study of other heterostructure devices and material systems

  1. On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

    Energy Technology Data Exchange (ETDEWEB)

    Zarycz, M. Natalia C., E-mail: mnzarycz@gmail.com; Provasi, Patricio F., E-mail: patricio@unne.edu.ar [Department of Physics, University of Northeastern - CONICET, Av. Libertad 5500, Corrientes W3404AAS (Argentina); Sauer, Stephan P. A., E-mail: sauer@kiku.dk [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

    2015-12-28

    It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH{sub 4}, NH{sub 3}, H{sub 2}O, SiH{sub 4}, PH{sub 3}, SH{sub 2}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.

  2. Development of medical guide wire of Cu-Al-Mn-base superelastic alloy with functionally graded characteristics.

    Science.gov (United States)

    Sutou, Yuji; Omori, Toshihiro; Furukawa, Akihisa; Takahashi, Yukinori; Kainuma, Ryosuke; Yamauchi, Kiyoshi; Yamashita, Shuzo; Ishida, Kiyohito

    2004-04-15

    A new type of medical guide wire with functionally graded hardness from the tip to the end was developed with the use of Cu-Al-Mn-based alloys. The superelasticity (SE) of the Cu-Al-Mn-based alloys in the tip is drastically improved by controlling the grain size, whereas the end of the wire is hardened using bainitic transformation by aging at around 200-400 degrees C. Therefore, the tip of the guide wire shows a superelasticity and its end has high stiffness. This guide wire with functionally graded characteristics shows excellent pushability and torquability, superior to that of the Ni-Ti guide wire. Copyright 2004 Wiley Periodicals, Inc.

  3. Excitations in superfluid systems: contributions of the nuclear structure; Excitations dans les systemes superfluides: contributions de la structure nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Khan, E

    2005-12-15

    The author presents successively the theoretical aspect, the experimental aspect and the applied aspect of excitations in nuclear structures. The quasi-particle random phase approximation (QRPA) tool is first described. Recent approaches on QRPA are based on the theory of the density function where the ground state and excited states are described from the same nucleon-nucleon interaction. 2 methods for measuring the collective excitations are then presented: the proton scattering that has the potentiality to investigate the evolution of magicity, the second method is in fact a new method for measuring the giant mono-polar resonance (GMP) in exotic nuclei. Nuclear reactions are considered as a compulsory step on the way from observables like cross-sections to nuclear structure. The author highlights the assets of the convolution model that can generate the optical potential from the effective nucleon-nucleon interaction and from proton and neutron densities of the nuclei involved. R-processes in nucleosynthesis and neutron stars are reviewed as applications of collective excitations in the field of nuclear astrophysics. (A.C.)

  4. Using Brain Oscillations and Corticospinal Excitability to Understand and Predict Post-Stroke Motor Function

    Directory of Open Access Journals (Sweden)

    Aurore Thibaut

    2017-05-01

    Full Text Available What determines motor recovery in stroke is still unknown and finding markers that could predict and improve stroke recovery is a challenge. In this study, we aimed at understanding the neural mechanisms of motor function recovery after stroke using neurophysiological markers by means of cortical excitability (transcranial magnetic stimulation—TMS and brain oscillations (electroencephalography—EEG. In this cross-sectional study, 55 subjects with chronic stroke (62 ± 14 yo, 17 women, 32 ± 42 months post-stroke were recruited in two sites. We analyzed TMS measures (i.e., motor threshold—MT—of the affected and unaffected sides and EEG variables (i.e., power spectrum in different frequency bands and different brain regions of the affected and unaffected hemispheres and their correlation with motor impairment as measured by Fugl-Meyer. Multiple univariate and multivariate linear regression analyses were performed to identify the predictors of good motor function. A significant interaction effect of MT in the affected hemisphere and power in beta bandwidth over the central region for both affected and unaffected hemispheres was found. We identified that motor function positively correlates with beta rhythm over the central region of the unaffected hemisphere, while it negatively correlates with beta rhythm in the affected hemisphere. Our results suggest that cortical activity in the affected and unaffected hemisphere measured by EEG provides new insights on the association between high-frequency rhythms and motor impairment, highlighting the role of an excess of beta in the affected central cortical region in poor motor function in stroke recovery.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  7. Nonequilibrium Dynamics in a Quasi-Two-Dimensional Electron Plasma after Ultrafast Intersubband Excitation

    International Nuclear Information System (INIS)

    Lutgen, S.; Kaindl, R.A.; Woerner, M.; Elsaesser, T.; Hase, A.; Kuenzel, H.; Gulia, M.; Meglio, D.; Lugli, P.

    1996-01-01

    The dynamics of electrons in GaInAs/AlInAs quantum wells is studied after excitation from the n=1 to the n=2 conduction subband. Femtosecond pump-probe experiments demonstrate for the first time athermal distributions of n=1 electrons on a surprisingly long time scale of 2ps. Thermalization involves intersubband scattering of excited electrons via optical phonon emission with a time constant of 1ps and intrasubband Coulomb and phonon scattering. Ensemble Monte Carlo simulations show that the slow electron equilibration results from Pauli blocking and screening of carrier-carrier scattering. copyright 1996 The American Physical Society

  8. Robust structural design against self-excited vibrations

    CERN Document Server

    Spelsberg-Korspeter, Gottfried

    2013-01-01

    This book studies methods for a robust design of rotors against self-excited vibrations. The occurrence of self-excited vibrations in engineering applications if often unwanted and in many cases difficult to model. Thinking of complex systems such as machines with many components and mechanical contacts, it is important to have guidelines for design so that the functionality is robust against small imperfections. This book discusses the question on how to design a structure such that unwanted self-excited vibrations do not occur. It shows theoretically and practically that the old design rule to avoid multiple eigenvalues points toward the right direction and have optimized structures accordingly. This extends results for the well-known flutter problem in which equations of motion with constant coefficients occur to the case of a linear conservative system with arbitrary time periodic perturbations.

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

    Science.gov (United States)

    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.

  10. Formative versus Reflective Measurement in Executive Functions: A Critique of Willoughby et al.

    Science.gov (United States)

    Peterson, Eric; Welsh, Marilyn C.

    2014-01-01

    Research into executive functioning (EF) has indeed grown exponentially across the past few decades, but as the Willoughby et al. critique makes clear, there remain fundamental questions to be resolved. The crux of their argument is built upon an examination of the confirmatory factor analysis (CFA) approach to understanding executive processes.…

  11. Electron capture and excitation in collisions of O+(4S,2D,2P) with H2 molecules

    International Nuclear Information System (INIS)

    Pichl, Lukas; Li Yan; Liebermann, Heinz-Peter; Buenker, Robert J.; Kimura, Mineo

    2004-01-01

    Using an electronic-state close-coupling method, we treated the electron capture and excitation processes of O + ions both in ground state O + ( 4 S) and metastable states O +* ( 2 D) and O +* ( 2 P) in collisions with the H 2 molecule. In the ground-state projectile energy region considered (from 50 eV/amu to 10 keV/amu), the experimental data vary by orders of magnitude: our results smoothly connect to the data by Flesch and Ng [J. Chem. Phys. 94, 2372 (1991)] and Xu et al. [J. Phys. B 23, 1235 (1990)] at low energy and agree with Phaneuf et al. [Phys. Rev. A 17, 534 (1978)] in the high-energy region. The present values differ from Sieglaff et al. [Phys. Rev. A 59, 3538 (1999)] and Nutt et al. [J. Phys. B 12, L157 (1979)], especially in the energy region below 1 keV/amu. We provide the first calculated state-resolved cross sections of electron capture and target-projectile electronic excitations for the O + ( 4 S, 2 D, 2 P)-H 2 collision system

  12. Investigation of excitation functions using new evaluated empirical and semi-empirical systematic for 14-15 MeV (n, t) reaction cross sections

    International Nuclear Information System (INIS)

    Tel, E.; Aydin, E. G.; Aydin, A.; Kaplan, A.

    2007-01-01

    The hybrid reactor is a combination of the fusion and fission processes. In the fusion-fission hybrid reactor, 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. 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 energies up to 20 MeV. In this study, we have investigated the asymmetry term effect for the (n,t) reaction cross sections at 14-15 neutron incident energy. It has been discussed the odd even effect and the pairing effect considering binding energy systematic of the nuclear shell model for the new experimental data and new cross section formulas (n,t) reactions developed by Tel et al. We have determined a different parameter groups by the classification of nuclei into even-even, even-odd and odd-even for (n,t) reactions cross sections. The obtained empirical formulas by fitting two parameter for (n,t) reactions were given. All calculated results have been compared with the experimental data. By using the new cross sections formulas (n,t) reactions the obtained results have been discussed and compared with the available experimental data

  13. Gross and Fine Structure of Pion Production Excitation Functions in {bold {ital p}}-Nucleus and Nucleus-Nucleus Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Jakobsson, B.; Berg, M.; Carlen, L.; Elmer, R.; Fokin, A.; Ghetti, R.; Martensson, J.; Noren, B.; Oskarsson, A.; Whitlow, H.J. [Department of Physics, University of Lund, Lund (Sweden); Ekstroem, C.; Ericsson, G.; Romanski, J.; van Veldhuizen, E.J.; Westerberg, L. [The Svedberg Laboratory and Department of Neutron Physics, University of Uppsala, Uppsala (Sweden); Julien, J. [Centre d`Etudes Nucleaires, Saclay (France); Skeppstedt, O. [Department of Physics, Chalmers Institute of Technology, Gothenburg (Sweden); Nyboe, K.; Thorsteinsen, T.F.; Amirelmi, S. [Department of Physics, University of Bergen, Bergen (Norway); Guttormsen, M.; Lo/vho/iden, G. [Department of Physics, University of Oslo, Oslo (Norway); Bellini, V.; Palazzolo, F.; Sperduto, M.L. [Istituto Nazionale di Fisica Nucleare/Laboratorio Nazionale del Sud, University of Catania, Catania (Italy); Bondorf, J.P.; Mishustin, I. [Niels Bohr Institute, Copenhagen (Denmark); Avdeichikov, V. [Joint Institute for Nuclear Research, Dubna (Russia); Lozhkin, O.V.; Murin, Y. [V.G. Khlopin Radium Institute, St.Petersburg (Russia)

    1997-05-01

    Slow ramping of the CELSIUS storage ring has been utilized to measure the yield of charged pions in proton and heavy ion induced collisions with continuously varying beam energy. Boltzmann-Uehling-Uhlenbeck predictions, including Fermi momenta of nucleons in nuclei, follow the general shape of the p-nucleus excitation functions quite well except for a general overestimation of the backward emission. For heavy ion reactions the calculated yield also falls off faster with decreasing beam energy than the data. No statistically significant narrow resonances are observed. {copyright} {ital 1997} {ital The American Physical Society}

  14. Failures of TDDFT in describing the lowest intramolecular charge-transfer excitation in para-nitroanilin

    DEFF Research Database (Denmark)

    Eriksen, J.J.; Sauer, S.P.A.; Mikkelsen, K.V.

    2013-01-01

    We investigate the failure of Time{Dependent Density Functional Theory (TDDFT) with the CAM{B3LYP exchange{correlation (xc) functional coupled to the Polarizable Embedding (PE) scheme (PE-CAM-B3LYP) in reproducing the solvatochromic shift of the lowest intense charge{transfer excitation in para...... the electric dipole moments in the gas phase and for 100 solvent congurations. We find that CAM-B3LYP overestimates the amount of charge separation inherent in the ground state and TDDFT/CAM-B3LYP drastically underestimates this amount in the excited charge-transfer state. As the errors in the solvatochromatic...... to benchmark results of TDDFT calculations with CAM-B3LYP for intramolecular charge{transfer excitations in molecular systems similar to pNA against higher{level ab initio wave function methods, like, e.g., CCSD, prior to their use. Using the calculated change in dipole moment upon excitation as a measure...

  15. Dissociative excitation of lithium atom in electron collisions with LiBr molecules

    International Nuclear Information System (INIS)

    Smirnov, Yu.M.

    1998-01-01

    Effective cross sections of the lithium atom dissociative excitation in electron collisions with the LiBr molecules are measured. The measurement error equals 5-12%. The optical functions of the lithium atom dissociative excitation are calculated on the basis of the data obtained

  16. Superficial modifications in TiO2 and Al2O3 ceramics

    Directory of Open Access Journals (Sweden)

    Santos Flávio de Paula

    2003-01-01

    Full Text Available The properties of hydrophilicity or hydrophobicity of materials are defined mainly, though not exclusively, by their composition, morphology and surface energy. In this work, titanium dioxide (TiO2 and aluminum oxide-alumina (Al2O3 ceramics prepared by uniaxial pressing were studied in terms of surface energy. The surfaces of these ceramics were treated with nitrogen plasma, using a stainless steel reactor excited by a 13,6 MHz radio frequency operating at 50 W input power and 13 Pa nitrogen pressure. The surface morphology was investigated by scanning electron microscopy (SEM analysis. Surface energy and contact angle measurements were taken using a RAMÉ-HART goniometer. These measurements were taken as function of time, over a 21-day period. The contact angle and surface energy values were found to change by almost 34% in comparison to their initial values immediately following plasma treatment. Nonetheless, the hydrophilic character of the Al2O3 and TiO2 remained constant throughout the test period.

  17. Luminescence properties of Y3Al5O12:Ce nanoceramics

    International Nuclear Information System (INIS)

    Zorenko, Yu.; Voznyak, T.; Gorbenko, V.; Zych, E.; Nizankovski, S.; Dan'ko, A.; Puzikov, V.

    2011-01-01

    Comparative analysis of the luminescent properties of Y 3 Al 5 O 12 :Ce (YAG:Ce) transparent optical ceramics (OS) with those of single crystal (SC) and single crystalline film (SCF) analogues has been performed under excitation by pulsed synchrotron radiation in the fundamental absorption range of YAG host. It has been shown that the properties of YAG:Ce OC are closer to the properties of the SCF counterpart, where Y Al antisite defects are completely absent, rather than to the properties of SC of this garnet with large concentration of Y Al antisite defects. At the same time, the luminescence spectra of YAG:Ce OC show weak emission bands in the 200-470 nm range related to Y Al antisite defects and charged oxygen vacancies (F + and F centers). YAG:Ce OS also possesses significantly larger contribution of slow components in the Ce 3+ luminescence decay under high-energy excitation in comparison with SC and SCF of this garnet due to the involvement of antisite defects, charged oxygen vacancies as well as boundaries of grains in the energy transfer processes from the host to the Ce 3+ ions.

  18. Investigations of the isospin in the highly excited compound nuclei 52Cr and 58Co

    International Nuclear Information System (INIS)

    Roth, K.

    1978-01-01

    The influence of T states excited by p bombardment on the quantities in the correlation function is investigated by means of a fluctuation analysis of the excitation function in the p and α decay channels of the compound nuclei 52 Cr and 58 Co. (AH) [de

  19. Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

    Science.gov (United States)

    2016-06-03

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited -State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited -State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited -state

  20. Resonator coupled Josephson junctions; parametric excitations and mutual locking

    DEFF Research Database (Denmark)

    Jensen, H. Dalsgaard; Larsen, A.; Mygind, Jesper

    1991-01-01

    Self-pumped parametric excitations and mutual locking in systems of Josephson tunnel junctions coupled to multimode resonators are reported. For the very large values of the coupling parameter, obtained with small Nb-Al2O3-Nb junctions integrated in superconducting microstrip resonators, the DC I......-V characteristic shows an equidistant series of current steps generated by subharmonic pumping of the fundamental resonator mode. This is confirmed by measurement of frequency and linewidth of the emitted Josephson radiation...

  1. Electronic excitation in ion-atom collisions

    International Nuclear Information System (INIS)

    Rodriguez, V.D.; Miraglia, J.E.

    1988-01-01

    Theoretical calculations for excitation of hydrogen-like atoms by ion impact at high and intermediate energies, are presented. Impulsive and eikonal wave functions are employed, both normalized. It is studied the dependence on energy and projectil charge (saturation) of cross sections, compared to experimental results. (A.C.A.S.) [pt

  2. Inner-shell excitation and ionic fragmentation of molecules

    International Nuclear Information System (INIS)

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

    1997-01-01

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

  3. Inner-shell excitation and ionic fragmentation of molecules

    Energy Technology Data Exchange (ETDEWEB)

    Hitchcock, A.P.; Tyliszczak, T. [McMaster Univ., Hamilton, Ontario (Canada); Cavell, R.G. [Univ. of Alberta, Edmonton (Canada)] [and others

    1997-04-01

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

  4. Mechanism of spiral formation in heterogeneous discretized excitable media.

    Science.gov (United States)

    Kinoshita, Shu-ichi; Iwamoto, Mayuko; Tateishi, Keita; Suematsu, Nobuhiko J; Ueyama, Daishin

    2013-06-01

    Spiral waves on excitable media strongly influence the functions of living systems in both a positive and negative way. The spiral formation mechanism has thus been one of the major themes in the field of reaction-diffusion systems. Although the widely believed origin of spiral waves is the interaction of traveling waves, the heterogeneity of an excitable medium has recently been suggested as a probable cause. We suggest one possible origin of spiral waves using a Belousov-Zhabotinsky reaction and a discretized FitzHugh-Nagumo model. The heterogeneity of the reaction field is shown to stochastically generate unidirectional sites, which can induce spiral waves. Furthermore, we found that the spiral wave vanished with only a small reduction in the excitability of the reaction field. These results reveal a gentle approach for controlling the appearance of a spiral wave on an excitable medium.

  5. Excitation of giant monopole and quadrupole resonances

    Energy Technology Data Exchange (ETDEWEB)

    Ogata, H. [Osaka Univ., Suita (Japan). Research Center for Nuclear Physics; Yamagata, T.; Tanaka, M. [and others; Ikegami, H.; Muraoka, M. [eds.; Osaka Univ., Suita (Japan). Research Center for Nuclear Physics

    1980-01-01

    Recent studies on the giant monopole resonance (GMR) and the giant quadrupole resonance (GQR) in /sup 144/Sm and /sup 208/Pb using the ..cap alpha..-scattering performed at RCNP are summarized. The observed angular range covered 1.6/sup 0/ -- 7/sup 0/ with a coupled system of a dipole and a triplet quadrupole magnet. The incident energy was changed from 84 to 119 MeV. The resonance shapes and energy-weighted sum-rule strengths of the GMR and the GQR were reliably deduced as a function of incident energy. The quadrupole strength of --20% was found in the GMR region. The observed excitation function of the GMR was compared with the DWBA calculation, in which the Satchler's Version I was used as a form factor representing the compressional motion of the nucleus. It was found that the experimental excitation function of the GMR shows steeper decrease as lowering the incident energy than the DWBA prediction whereas that of the GQR is successfully described by the DWBA. This suggests that examination of the model describing the GMR is necessary.

  6. Resonantly enhanced production of excited fragments of gaseous molecules following core-level excitation

    International Nuclear Information System (INIS)

    Chen, J.M.; Lu, K.T.; Lee, J.M.; Ho, S.C.; Chang, H.W.; Lee, Y.Y.

    2005-01-01

    State-selective dissociation dynamics for the excited fragments of gaseous Si(CH 3 ) 2 Cl 2 following Cl 2p and Si 2p core-level excitations have been investigated by resonant photoemission spectroscopy and dispersed UV/optical fluorescence spectroscopy. The main features in the gaseous Si(CH 3 ) 2 Cl 2 fluorescence spectrum are identified as the emission from excited Si*, Si + *, CH* and H*. The core-to-Rydberg excitations at both Si 2p and Cl 2p edges lead to a noteworthy production of not only the excited atomic fragments, neutral and ionic (Si*, Si + *) but also the excited diatomic fragments (CH*). In particular, the excited neutral atomic fragments Si* are significantly reinforced. The experimental results provide deeper insight into the state-selective dissociation dynamics for the excited fragments of molecules via core-level excitation

  7. 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.

    Science.gov (United States)

    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.

  8. NO-γ emissions from streamer discharges: direct electron impact excitation versus resonant energy transfer

    International Nuclear Information System (INIS)

    Liu Ningyu; Pasko, Victor P

    2010-01-01

    It has been established that production of NO-γ emission in pulsed corona discharges is dominated by the energy transfer from N 2 (A 3 Σ u + ) to the NO ground state NO(X 2 Π r ) while direct excitation by electron impact is negligible. However, recent studies suggest that the electron impact excitation plays a more important role. In this work, we report modelling results of NO-γ emission associated with streamer discharges using two cross section data sets available in the literature. The first set was originally reported by Mojarrabi et al (1996 Phys. Rev. A 54 2977-82) and later updated by Brunger et al (2000 J. Phys. B: At. Mol. Opt. Phys. 33 809-19); the second set was published by Hayashi (1990 Nonequilibrium Processes in Partially Ionized Gases (NATO Advanced Science Institutes Series, Series B, Physics vol 220) ed M Capitelli and J N Bardsley (New York: Plenum) pp 333-40). According to the results, the role played by the electron impact excitation in the production of NO-γ is drastically different when different cross sections are used. The results indicate that the first data set leads to better agreement with experimental measurements. (fast track communication)

  9. Sum-rule analysis of long-wavelength excitations in electron liquids

    International Nuclear Information System (INIS)

    Ichimaru, Setsuo; Totsuji, Hiroo; Tange, Toshio; Pines, D.

    1975-01-01

    The properties of the plasma oscillations, the single-particle excitations and the collisional excitations in the classical one-component plasma are investigated in the long-wave-length domain with the aid of moment sum rules. The frequency moments of the dynamic form factor are calculated up to that term which involves the ternary correlation function. The dispersion in the plasma-wave frequency and the strengths of the single-particle and collisional excitations are computed over the thermodynamically stable domain of the plasma parameter, epsilon<=10. It is emphasized that inclusion of the collisional excitations plays a vital part in satisfying various moment-sum rules and in securing agreement with known boundary conditions such as the Vlasov description and molecular-dynamics computations. (auth.)

  10. Study of Ne and Kr production in Mg, Al, Rb, Sr and Y targets by 0-180 MeV neutrons. Cosmochemical application

    International Nuclear Information System (INIS)

    Bertin, P.

    1989-07-01

    High sensitivity mass spectrometry technique has been used to measure production of noble gases Ne and Kr induced by 0-180 MeV neutrons in Mg, Al, Rb, Sr and Y targets. This experiment allowed us an evaluation of the implied excitation functions, in an energy range where no experimental data were available. These results have exhibited the importance of secondary neutrons induced in the interaction of cosmic rays with meteorites and moon surface [fr

  11. Dual-excitation upconverting nanoparticle and quantum dot aptasensor for multiplexed food pathogen detection

    OpenAIRE

    Kurt, Hasan; Yüce, Meral; Yuce, Meral; Hussain, Babar; Budak, Hikmet

    2016-01-01

    In this report, a dual-excitation sensing method was developed using aptamer-functionalized quantum dots and upconverting nanoparticles, exhibiting Stokes and anti-Stokes type excitation profiles, respectively. Conjugation of the aptamer-functionalized luminescent nanoparticles with the magnetic beads, comprising short DNA sequences that were partially complementary to the aptamer sequences, enabled facile separation of the analyte-free conjugates for fluorescent measurement. UV–Visible spect...

  12. The Effect of Material Property on the Critical Velocity of Randomly Excited Nonlinear Axially Travelling Functionally Graded Plates

    Directory of Open Access Journals (Sweden)

    M. Abedi

    Full Text Available Abstract In this paper, the critical axial speeds of three types of sigmoid, power law and exponential law functionally graded plates for both isotropic and orthotropic cases are obtained via a completely analytic method. The plates are subjected to lateral white noise excitation and show evidence of large deformations. Due to randomness, the conventional deterministic methods fail and a statistical approach must be selected. Here, the probability density function is evaluated analytically for prescribed plates and used to investigate the critical axial velocity of them. Specifically the effect of in-plane forces, mean value of lateral load and the material property on the critical axial speed are studied and discussed for both isotropic and orthotropic functionally graded plates. Since the governing equation is transformed to a non dimensional format, the results can be used for a wide range of plate dimensions. It is shown that the material heterogeneity palys an essential and significant role in increasing or decreasing the critical speed of both isotropic and orthotropic functionally graded plates.

  13. Exciton behavior in GaAs/AlGaAs coupled double quantum wells with interface disorder

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, E.M., E-mail: eldermantovani@yahoo.com.b [Departamento de Fisica, Universidade Estadual de Londrina, CP 6001, CEP 86051-970 Londrina, Parana (Brazil); Duarte, J.L.; Pocas, L.C.; Dias, I.F.L.; Laureto, E. [Departamento de Fisica, Universidade Estadual de Londrina, CP 6001, CEP 86051-970 Londrina, Parana (Brazil); Quivy, A.A.; Lamas, T.E. [Laboratorio de Novos Materiais Semicondutores, Instituto de Fisica, Universidade de Sao Paulo, CP 66318, CEP 05315-970 Sao Paulo (Brazil)

    2010-03-15

    In this work, we present a detailed study on the optical properties of two GaAs/Al{sub 0.35}Ga{sub 0.65}As coupled double quantum wells (CDQWs) with inter-well barriers of different thicknesses, by using photoluminescence (PL) spectroscopy. The two CDQWs were grown in a single sample, assuring very similar experimental conditions for measurements of both. The PL spectrum of each CDQW exhibits two recombination channels which can be accurately identified as the excitonic e{sub 1}-hh{sub 1} transitions originated from CDQWs of different effective dimensions. The PL spectra characteristics and the behavior of the emissions as a function of temperature and excitation power are interpreted in the scenario of the bimodal interface roughness model, taking into account the exciton migration between the two regions considered in this model and the difference in the potential fluctuation levels between those two regions. The details of the PL spectra behavior as a function of excitation power are explained in terms of the competition between the band gap renormalization (BGR) and the potential fluctuation effects. The results obtained for the two CDQWs, which have different degrees of potential fluctuation, are also compared and discussed.

  14. Intermediate energy cross sections for electron-impact vibrational-excitation of pyrimidine

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Ellis-Gibbings, L.; García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); School of Biology, Chemistry and Forensic Science, University of Wolverhampton, Wolverhampton WV1 1LY (United Kingdom); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    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 energy 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.

  15. 35Cl + 12C asymmetrical fission excitation functions

    International Nuclear Information System (INIS)

    Beck, C.; Mahboub, D.; Nouicer, R.; Freeman, R.M.; Haas, F.; Youlal, M.; Matsuse, T.; Sanders, S.J.

    1996-04-01

    The fully energy-damped yields from the 35 Cl + 12 C reaction have been systematically investigated using particle-particle coincidence techniques at a 35 Cl bombarding energy of ∼ 8 MeV/nucleon. The fragment-fragment correlation data show that the majority of events arises from a binary-decay process with rather large numbers of secondary light-charged particles emitted from the two excited exit fragments. No evidence is observed for ternary breakup events. The binary-process results of the present measurement, along with those of earlier, inclusive experimental data obtained at several lower bombarding energies are compared with predictions of two different kinds of statistical model calculations. The methods give comparable predictions and are both in good agreement with the experimental results thus confirming the fusion-fission origin of the fully-damped yields. (author)

  16. Cerebellum tunes the excitability of the motor system: evidence from peripheral motor axons.

    Science.gov (United States)

    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.

  17. Investigation of transversal nuclear excitation in 208Pb at excitation energies between 6 MeV and 8 MeV using inelastic electron scattering

    International Nuclear Information System (INIS)

    Frey, R.W.

    1978-01-01

    Using high resolution inelastic electron scattering magnitic dipole and quadrupole excitations in 208 Pb were investigated in the energy range between 6 MeV and 8 MeV. The electron energy was 50 MeV and 63.5 MeV. With a mean absolute energy resolution of 33 kev. 44 excited states were found in the above energy range. The measured angular distributions were compared with DWBA-calculations using random phase approximated wave functions. (FKS)

  18. Lifetime-vibrational interference effects in resonantly excited x-ray emission spectra of CO

    Energy Technology Data Exchange (ETDEWEB)

    Skytt, P.; Glans, P.; Gunnelin, K. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    The parity selection rule for resonant X-ray emission as demonstrated for O{sub 2} and N{sub 2} can be seen as an effect of interference between coherently excited degenerate localized core states. One system where the core state degeneracy is not exact but somewhat lifted was previously studied at ALS, namely the resonant X-ray emission of amino-substituted benzene (aniline). It was shown that the X-ray fluorescence spectrum resulting from excitation of the C1s at the site of the {open_quotes}aminocarbon{close_quotes} could be described in a picture separating the excitation and the emission processes, whereas the spectrum corresponding to the quasi-degenerate carbons could not. Thus, in this case it was necessary to take interference effects between the quasi-degenerate intermediate core excited states into account in order to obtain agreement between calculations and experiment. The different vibrational levels of core excited states in molecules have energy splittings which are of the same order of magnitude as the natural lifetime broadening of core excitations in the soft X-ray range. Therefore, lifetime-vibrational interference effects are likely to appear and influence the band shapes in resonant X-ray emission spectra. Lifetime-vibrational interference has been studied in non-resonant X-ray emission, and in Auger spectra. In this report the authors discuss results of selectively excited soft X-ray fluorescence spectra of molecules, where they focus on lifetime-interference effects appearing in the band shapes.

  19. The giant quadrupole resonance in highly excited rotating nuclei

    International Nuclear Information System (INIS)

    Civitarese, O.; Furui, S.; Ploszajczak, M.; Faessler, A.

    1983-01-01

    The giant quadrupole resonance in highly excited, fast rotating nuclei is studied as a function of both the nuclear temperature and the nuclear angular momentum. The photo-absorption cross sections for quadrupole radiation in 156 Dy, 160 Er and 164 Er are evaluated within the linear response theory. The strength functions of the γ-ray spectrum obtained from the decay of highly excited nuclear states by deexcitation of the isoscalar quadrupole mode show a fine structure, which depends on the temperature T, the angular momentum I and the deformation of the nucleus β. The splitting of the modes associated with the signature-conserving and signature-changing components of the quadrupole field is discussed. (orig.)

  20. Analysis of axial compressive loaded beam under random support excitations

    Science.gov (United States)

    Xiao, Wensheng; Wang, Fengde; Liu, Jian

    2017-12-01

    An analytical procedure to investigate the response spectrum of a uniform Bernoulli-Euler beam with axial compressive load subjected to random support excitations is implemented based on the Mindlin-Goodman method and the mode superposition method in the frequency domain. The random response spectrum of the simply supported beam subjected to white noise excitation and to Pierson-Moskowitz spectrum excitation is investigated, and the characteristics of the response spectrum are further explored. Moreover, the effect of axial compressive load is studied and a method to determine the axial load is proposed. The research results show that the response spectrum mainly consists of the beam's additional displacement response spectrum when the excitation is white noise; however, the quasi-static displacement response spectrum is the main component when the excitation is the Pierson-Moskowitz spectrum. Under white noise excitation, the amplitude of the power spectral density function decreased as the axial compressive load increased, while the frequency band of the vibration response spectrum increased with the increase of axial compressive load.

  1. 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

    Energy Technology Data Exchange (ETDEWEB)

    Khusnutdinoff, R. M., E-mail: khrm@mail.ru; Mokshin, A. V., E-mail: anatolii.mokshin@mail.ru [Kazan Federal University (Russian Federation); Klumov, B. A.; Ryltsev, R. E.; Chtchelkatchev, N. M. [Russian Academy of Sciences, Landau Institute for Theoretical Physics (Russian Federation)

    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 the 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.

  2. Scaling laws and higher-order effects in Coulomb excitation of neutron halo nuclei

    International Nuclear Information System (INIS)

    Typel, S.; Baur, G.

    2008-01-01

    Essential properties of halo nuclei can be described in terms of a few low-energy constants. For neutron halo nuclei, analytical results can be found for wave functions and electromagnetic transition matrix elements in simple but well-adapted models. These wave functions can be used to study nuclear reactions; an especially simple and instructive example is Coulomb excitation. A systematic expansion in terms of small parameters can be given. We present scaling laws for excitation amplitudes and cross-sections. The results can be used to analyze experiments like 11 Be Coulomb excitation. They also serve as benchmark tests for more involved reaction theories. (orig.)

  3. Excitation-energy influence at the scission configuration

    Directory of Open Access Journals (Sweden)

    Ramos D.

    2017-01-01

    Full Text Available Transfer- and fusion-induced fission in inverse kinematics was proven to be a powerful tool to investigate nuclear fission, widening the information of the fission fragments and the access to unstable fissioning systems with respect to other experimental approaches. An experimental campaign for fission investigation has being carried out at GANIL with this technique since 2008. In these experiments, a beam of 238U, accelerated to 6.1 MeV/u, impinges on a 12C target. Fissioning systems from U to Cf are populated through transfer and fusion reactions, with excitation energies that range from few MeV up to 46 MeV. The use of inverse kinematics, the SPIDER telescope, and the VAMOS spectrometer permitted the characterization of the fissioning system in terms of mass, nuclear charge, and excitation energy, and the isotopic identification of the full fragment distribution. The neutron excess, the total neutron multiplicity, and the even-odd staggering in the nuclear charge of fission fragments are presented as a function of the excitation energy of the fissioning system. Structure effects are observed at Z∼50 and Z∼55, where their impact evolves with the excitation energy.

  4. Controllable synthesis and tunable luminescence of glass ceramic containing Mn2+:ZnAl2O4 and Pr3+:YF3 nano-crystals

    International Nuclear Information System (INIS)

    Yu, Yunlong; Li, Xiaoyan

    2016-01-01

    Highlights: • Glass ceramic containing ZnAl 2 O 4 and YF 3 nano-crystals is fabricated. • Mn 2+ and Pr 3+ are selectively incorporated into ZnAl 2 O 4 and YF 3 , respectively. • The luminescence color can be tuned by adjusting the excitation wavelength. - Abstract: Glass ceramic containing spinel ZnAl 2 O 4 :Mn 2+ and orthorhombic YF 3 :Pr 3+ nano-crystals has been successfully prepared by a melt-quenching technique. X-ray diffraction and transmission electron microscopy demonstrated that two nano-phases, i.e. ZnAl 2 O 4 and YF 3 , were homogeneously distributed among the glass matrix. Importantly, the selective incorporation of Pr 3+ ions into the Y 3+ nine-fold coordinated sites of YF 3 and the segregation of Mn 2+ dopants in the Zn 2+ tetrahedral sites of ZnAl 2 O 4 were confirmed based on the excitation/emission spectra and the crystal field calculation. Under blue light excitation, both Pr 3+ and Mn 2+ in the glass ceramic can be simultaneously excited, and emit red and green luminescence, respectively, owing to the suppression of energy transfer between them. The luminescence color of the obtained glass ceramic can be easily tuned by adjusting the excitation wavelength. These results indicate the potential application of the glass ceramic as converting phosphor to generate white-light after coupling with the blue LED chip.

  5. Mantle cloaks for elliptical cylinders excited by an electric line source

    DEFF Research Database (Denmark)

    Kaminski, Piotr Marek; Yakovlev, Alexander B.; Arslanagic, Samel

    2016-01-01

    We investigate the ability of surface impedance mantle cloaks for cloaking of elliptical cylinders excited by an electric line source. The exact analytical solution of the problem utilizing Mathieu functions is obtained and is used to derive optimal surface impedances to cloak a number of configu......We investigate the ability of surface impedance mantle cloaks for cloaking of elliptical cylinders excited by an electric line source. The exact analytical solution of the problem utilizing Mathieu functions is obtained and is used to derive optimal surface impedances to cloak a number...

  6. Excited meson radiative transitions from lattice QCD using variationally optimized operators

    Energy Technology Data Exchange (ETDEWEB)

    Shultz, Christian J. [Old Dominion Univ., Norfolk, VA (United States); Dudek, Jozef J. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Old Dominion Univ., Norfolk, VA (United States); Edwards, Robert G. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2015-06-02

    We explore the use of 'optimized' operators, designed to interpolate only a single meson eigenstate, in three-point correlation functions with a vector-current insertion. These operators are constructed as linear combinations in a large basis of meson interpolating fields using a variational analysis of matrices of two-point correlation functions. After performing such a determination at both zero and non-zero momentum, we compute three-point functions and are able to study radiative transition matrix elements featuring excited state mesons. The required two- and three-point correlation functions are efficiently computed using the distillation framework in which there is a factorization between quark propagation and operator construction, allowing for a large number of meson operators of definite momentum to be considered. We illustrate the method with a calculation using anisotopic lattices having three flavors of dynamical quark all tuned to the physical strange quark mass, considering form-factors and transitions of pseudoscalar and vector meson excitations. In conclusion, the dependence on photon virtuality for a number of form-factors and transitions is extracted and some discussion of excited-state phenomenology is presented.

  7. Electron-collision excitation cross section of the silver atom

    International Nuclear Information System (INIS)

    Krasavin, A.Y.; Kuchenev, A.N.; Smirnov, Y.M.

    1983-01-01

    The cross sections for direct excitation by electron collision were measured for fifteen transitions of the silver atom. For thirteen of these transitions the optical excitation functions were recorded, varying the energy of the exciting electrons from the threshold energy to 250 eV. The operating region of the spectrum was 2000--5500 A. The excitation cross sections of the two principal lines exceeded the excitation cross sections of all the remaining lines by more than an order of magnitude. Reabsorption of the resonance lines was detected from the change in the ratio of intensities of the lines at 3280.68 and 3382.89 A, and so their intensity has been corrected relative to the intensities of the nonreabsorbed lines. All radiative transitions, with the exception of resonance transitions, participate in cascade population of the lowest resonance levels, making it possible to determine the resulting direct excitation cross sections of the 5p 2 P/sub 1/2/ and 5p 2 P/sub 3/2/ levels from the ground state of the silver atom. The part played by cascade population of the resonance levels is not large and is 2 P/sub 3/2/ level, and 10% for the 5p 2 P/sub 1/2/ level, of the excitation cross sections of the corresponding resonance transitions

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

    Science.gov (United States)

    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

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

    Directory of Open Access Journals (Sweden)

    Rou-Gang Xie

    2018-01-01

    Full Text Available 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.

  10. Cross sections for electron-impact excitation of krypton from the levels of 4p6, 4p55s, and 4p55p configurations

    International Nuclear Information System (INIS)

    Zeng Jiaolong; Yuan Jianmin; Wu Jianhua; Jin Fengtao; Zhao Gang

    2005-01-01

    The electron-impact excitation cross sections at low electron energies have been calculated using a fully relativistic R-matrix method for transitions between levels of 4p 6 , 4p 5 5s, and 4p 5 5p configurations. To ensure the convergence of results, we have paid special attention to the factors that may affect the convergence of cross sections. For examples, we have included extensive configuration interactions in the wave-function expansion of the target states. A large enough R-matrix boundary has been taken to ensure the convergence of atomic wave functions. Contributions to cross sections from a large number of partial waves (up to J=39.5) have been explicitly calculated. The final results are in good agreement with recent experimental data by Jung et al. [Phys. Rev. Lett. 94, 163202 (2005)] after shifting the position of electron energy. The relative difference is about 10% for four transitions out of the metastable levels. The results eliminated the significant discrepancies between theory and experimental work on excitation cross sections out of the metastable levels reported in the literature

  11. Excitations of single-beauty hadrons

    Science.gov (United States)

    Burch, Tommy; Hagen, Christian; Lang, Christian B.; Limmer, Markus; Schäfer, Andreas

    2009-01-01

    In this work we study the predominantly orbital and radial excitations of hadrons containing a single heavy quark. We present meson and baryon mass splittings and ratios of meson decay constants (e.g., fBs/fB and fBs'/fBs) resulting from quenched and dynamical two-flavor configurations. Light quarks are simulated using the chirally improved lattice Dirac operator at valence masses as light as Mπ≈350MeV. The heavy quark is approximated by a static propagator, appropriate for the b quark on our lattices (1/ã1-2GeV). We also include some preliminary calculations of the O(1/mQ) kinetic corrections to the states, showing, in the process, a viable way of applying the variational method to three-point functions involving excited states. We compare our results with recent experimental findings.

  12. Excitations of single-beauty hadrons

    International Nuclear Information System (INIS)

    Burch, Tommy; Hagen, Christian; Lang, Christian B.; Limmer, Markus; Schaefer, Andreas

    2009-01-01

    In this work we study the predominantly orbital and radial excitations of hadrons containing a single heavy quark. We present meson and baryon mass splittings and ratios of meson decay constants (e.g., f B s /f B and f B s ' /f B s ) resulting from quenched and dynamical two-flavor configurations. Light quarks are simulated using the chirally improved lattice Dirac operator at valence masses as light as M π ≅350 MeV. The heavy quark is approximated by a static propagator, appropriate for the b quark on our lattices (1/a∼1-2 GeV). We also include some preliminary calculations of the O(1/m Q ) kinetic corrections to the states, showing, in the process, a viable way of applying the variational method to three-point functions involving excited states. We compare our results with recent experimental findings.

  13. Low energy spin excitations in chromium metal

    International Nuclear Information System (INIS)

    Pynn, R.; Azuah, R.T.; Stirling, W.G.

    1997-01-01

    Neutron scattering experiments with full polarization analysis have been performed with a single crystal of chromium to study the low-energy spin fluctuations in the transverse spin density wave (TSDW) state. A number of remarkable results have been found. Inelastic scattering observed close to the TSDW satellite positions at (1 ± δ,0,0) does not behave as expected for magnon scattering. In particular, the scattering corresponds to almost equally strong magnetization fluctuations both parallel and perpendicular to the ordered moments of the TSDW phase. As the Neel temperature is approached from below, scattering at the commensurate wavevector (1,0,0) increases in intensity as a result of critical scattering at silent satellites (1,0, ± δ) being included within the spectrometer resolution function. This effect, first observed by Sternlieb et al, does not account for all of the inelastic scattering around the (1,0,0) position, however, Rather, there are further collective excitations, apparently emanating from the TSDW satellites, which correspond to magnetic fluctuations parallel to the ordered TSDW moments. These branches have a group velocity that is close to that of (1,0,0) longitudinal acoustic (LA) phonons, but assigning their origin to magneto-elastic scattering raises other unanswered questions

  14. Calculation of the differential cross sections of excitation and ionization of a helium atom by electrons

    International Nuclear Information System (INIS)

    Demkin, V.P.; Pecheritsyn, A.A.

    1995-01-01

    Equations for the amplitudes and differential cross sections of electronic excitation and ionization of a helium atom are derived in the approximation of a open-quotes frozenclose quotes ion core. The wave functions of the discrete states are chosen in the form of generalized hydrogenlike orbitals. The radial wave functions of the continuous spectrum are determined by solving the equation of motion numerically. The differential excitation cross sections of excitation of the 2p, 3p, and 4p levels and ionization of a helium atom by electrons are calculated in the energy range up to 50 eV. Estimates are obtained for the nonorthogonal wave functions in the amplitudes of the excitation and ionization processes. It is shown that the given method is more compatible with experiment than the Born method

  15. New excitation functions for proton induced reactions on natural titanium, nickel and copper up to 70 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Garrido, E. [SUBATECH, Ecole des Mines de Nantes, Université de Nantes, CNRS/IN2P3, Nantes (France); Duchemin, C., E-mail: Charlotte.Duchemin@subatech.in2p3.fr [SUBATECH, Ecole des Mines de Nantes, Université de Nantes, CNRS/IN2P3, Nantes (France); Guertin, A. [SUBATECH, Ecole des Mines de Nantes, Université de Nantes, CNRS/IN2P3, Nantes (France); Haddad, F.; Michel, N. [SUBATECH, Ecole des Mines de Nantes, Université de Nantes, CNRS/IN2P3, Nantes (France); GIP Arronax, 1 rue Aronnax, 44817 Saint-Herblain (France); Métivier, V. [SUBATECH, Ecole des Mines de Nantes, Université de Nantes, CNRS/IN2P3, Nantes (France)

    2016-09-15

    Highlights: • Natural titanium, nickel and copper targets. • 70 MeV ARRONAX cyclotron proton beam. • Stacked-foil technique and monitor reactions. • Experimental cross section values. • TALYS code version 1.6. - Abstract: New excitation functions for proton induced nuclear reactions on natural titanium, nickel and copper were measured, using the stacked-foil technique and gamma spectrometry, up to 70 MeV. The experimental cross sections were measured using the Ti-nat(p,x) V-48, Ni-nat(p,x) Ni-57 and Cu-nat(p,x) Zn-62,Co-56 monitor reactions recommended by the International Atomic Energy Agency (IAEA), depending on the investigated energy range. Data have been extracted for the Ti-nat(p,x) Sc-43,44m,46,47,48, V-48, K-42,43, Ni-nat(p,x) Ni-56,57, Co-55,56,57,58, Mn-52,54, Cu-nat(p,x) Cu-61,64, Ni-57, Co-56,57,58,60, Zn-62,65, Mn-54 reactions. Our results are discussed and compared to the existing ones as well as with the TALYS code version 1.6 calculations using default models. Our experimental data are in overall good agreement with the literature. TALYS is able to reproduce, in most cases, the experimental trend. Our new experimental results allow to expand our knowledge on these excitation functions, to confirm the existing trends and to give additional values on a large energy range. This work is in line with the new Coordinated Research Project (CRP) launched by the IAEA to expand the database of monitor reactions.

  16. Cathodoluminescence imaging and spectroscopy of excited states in InAs self-assembled quantum dots

    International Nuclear Information System (INIS)

    Khatsevich, S.; Rich, D.H.; Kim, Eui-Tae; Madhukar, A.

    2005-01-01

    We have examined state filling and thermal activation of carriers in buried InAs self-assembled quantum dots (SAQDs) with excitation-dependent cathodoluminescence (CL) imaging and spectroscopy. The InAs SAQDs were formed during molecular-beam epitaxial growth of InAs on undoped planar GaAs (001). The intensities of the ground- and excited-state transitions were analyzed as a function of temperature and excitation density to study the thermal activation and reemission of carriers. The thermal activation energies associated with the thermal quenching of the luminescence were measured for ground- and excited-state transitions of the SAQDs, as a function of excitation density. By comparing these activation energies with the ground- and excited-state transition energies, we have considered various processes that describe the reemission of carriers. Thermal quenching of the intensity of the QD ground- and first excited-state transitions at low excitations in the ∼230-300-K temperature range is attributed to dissociation of excitons from the QD states into the InAs wetting layer. At high excitations, much lower activation energies of the ground and excited states are obtained, suggesting that thermal reemission of single holes from QD states into the GaAs matrix is responsible for the observed temperature dependence of the QD luminescence in the ∼230-300-K temperature range. The dependence of the CL intensity of the ground-and first excited-state transition on excitation density was shown to be linear at all temperatures at low-excitation density. This result can be understood by considering that carriers escape and are recaptured as excitons or correlated electron-hole pairs. At sufficiently high excitations, state-filling and spatial smearing effects are observed together with a sublinear dependence of the CL intensity on excitation. Successive filling of the ground and excited states in adjacent groups of QDs that possess different size distributions is assumed to

  17. Shape resonances and the excitation of helium autoionising states by electrons in the 57-66 eV region

    International Nuclear Information System (INIS)

    Burgt, P.J.M. van der; Eck, J. van; Heideman, H.G.M.

    1986-01-01

    Optical excitation functions of singly excited helium states are presented, measured by detecting the yield of emitted photons as a function of the incident electron energy from 56 to 66 eV. Many structures are observed, which are caused by negative-ion resonances and by the decay of autoionising states followed by post-collision interaction. Some of the structures are interpreted as being caused by hitherto unknown shape resonances lying very close to the thresholds of a particular class of autoionising states. As these shape resonances almost exclusively decay to their respective parent (autoionising) states, thereby considerably enhancing the threshold excitation cross sections of these states, they can only be observed via the PCI effect on the excitation functions of (higher lying) singly excited states. Using the recently introduced supermultiplet classification for doubly excited states a selection rule for the near-threshold excitation of doubly excited states by electron impact is deduced from the measurements. Only states with large probabilities in the Wannier region of configuration space (where the two electrons are at nearly equal distances and on opposite sides of the nucleus) are strongly excited. It is pointed out that these states are precisely the states that can support the above mentioned shape resonances at their thresholds. (author)

  18. Excited states 2

    CERN Document Server

    Lim, Edward C

    2013-01-01

    Excited States, Volume 2 is a collection of papers that deals with molecules in the excited states. The book describes the geometries of molecules in the excited electronic states. One paper describes the geometries of a diatomic molecule and of polyatomic molecules; it also discusses the determination of the many excited state geometries of molecules with two, three, or four atoms by techniques similar to diatomic spectroscopy. Another paper introduces an ordered theory related to excitons in pure and mixed molecular crystals. This paper also presents some experimental data such as those invo

  19. Calculations of coincident ionization plus excitation

    International Nuclear Information System (INIS)

    Becker, R.L.

    1986-01-01

    For Li- and Be-like ions, K x-ray yields, together with detection that the ionic charge has increased, give the cross section for ionization plus excitation (IE), a process which can exhibit electron-electron correlations. Measurements of IE for 14 Si 11+ + He stimulated our coupled-channels calculations in the independent-Fermi-particle model (IFPM), which includes Pauli correlations. We discuss how the IFPM expressions, generalized here to include an open shell, differ from those for distinguishable electrons. The sensitivity of σ/sub IE/ to correlations is shown. Recent additional measurements and future ones giving excitation functions for resolved configurations and complementary Auger data will provide even more sensitive tests of collisional correlation theory. 15 refs., 3 figs., 1 tab

  20. Fabrication of Al/Diamond Particles Functionally Graded Materials by Centrifugal Sintered-Casting Method

    International Nuclear Information System (INIS)

    Watanabe, Yoshimi; Shibuya, Masafumi; Sato, Hisashi

    2013-01-01

    The continuous graded structure of functionally graded materials (FGMs) can be created under a centrifugal force. Centrifugal sintered-casting (CSC) method, proposed by the authors, is one of the fabrication methods of FGM under centrifugal force. This method is a combination of the centrifugal sintering method and centrifugal casting method. In this study, Al/diamond particle FGM was fabricated by the proposed method.

  1. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?

    Science.gov (United States)

    Nemykin, Victor N; Hadt, Ryan G; Belosludov, Rodion V; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

    2007-12-20

    A time-dependent density functional theory (TDDFT) approach coupled with 14 different exchange-correlation functionals was used for the prediction of vertical excitation energies in zinc phthalocyanine (PcZn). In general, the TDDFT approach provides a more accurate description of both visible and ultraviolet regions of the UV-vis and magnetic circular dichroism (MCD) spectra of PcZn in comparison to the more popular semiempirical ZINDO/S and PM3 methods. It was found that the calculated vertical excitation energies of PcZn correlate with the amount of Hartree-Fock exchange involved in the exchange-correlation functional. The correlation was explained on the basis of the calculated difference in energy between occupied and unoccupied molecular orbitals. The influence of PcZn geometry, optimized using different exchange-correlation functionals, on the calculated vertical excitation energies in PcZn was found to be relatively small. The influence of solvents on the calculated vertical excitation energies in PcZn was considered for the first time using a polarized continuum model TDDFT (PCM-TDDFT) method and was found to be relatively small in excellent agreement with the experimental data. For all tested TDDFT and PCM-TDDFT cases, an assignment of the Q-band as an almost pure a1u (HOMO)-->eg (LUMO) transition, initially suggested by Gouterman, was confirmed. Pure exchange-correlation functionals indicate the presence of six 1Eu states in the B-band region of the UV-vis spectrum of PcZn, while hybrid exchange-correlation functionals predict only five 1Eu states for the same energy envelope. The first two symmetry-forbidden n-->pi* transitions were predicted in the Q0-2 region and in the low-energy tail of the B-band, while the first two symmetry-allowed n-->pi* transitions were found within the B-band energy envelope when pure exchange-correlation functionals were used for TDDFT calculations. The presence of a symmetry-forbidden but vibronically allowed n

  2. Experimental fusion excitation functions and derived barrier distributions for heavy ion systems involving prolate and oblate target nuclei

    International Nuclear Information System (INIS)

    Bierman, J.D.; Chan, P.; Liang, J.F.; Kelly, M.P.; Sonzogni, A.A.; Vandenbosch, R.

    1996-01-01

    Fusion excitation functions spanning the entire barrier region in 1 MeV energy steps for the two systems 40 Ca + 192 Os, 194 Pt are presented. The results of fission fragment angular distribution measurements for fusion-fission of 40 Ca + 197 Au at several projectile energies within the barrier region are also presented. The fusion data is of high enough precision to allow for extraction of the distribution of fusion barriers from the second differential of the product of E and σ. Basic coupled channels calculations which are in quite good agreement with the data are shown and discussed

  3. Parametrically Excited Oscillations of Second-Order Functional Differential Equations and Application to Duffing Equations with Time Delay Feedback

    Directory of Open Access Journals (Sweden)

    Mervan Pašić

    2014-01-01

    Full Text Available We study oscillatory behaviour of a large class of second-order functional differential equations with three freedom real nonnegative parameters. According to a new oscillation criterion, we show that if at least one of these three parameters is large enough, then the main equation must be oscillatory. As an application, we study a class of Duffing type quasilinear equations with nonlinear time delayed feedback and their oscillations excited by the control gain parameter or amplitude of forcing term. Finally, some open questions and comments are given for the purpose of further study on this topic.

  4. Memory-induced nonlinear dynamics of excitation in cardiac diseases.

    Science.gov (United States)

    Landaw, Julian; Qu, Zhilin

    2018-04-01

    Excitable cells, such as cardiac myocytes, exhibit short-term memory, i.e., the state of the cell depends on its history of excitation. Memory can originate from slow recovery of membrane ion channels or from accumulation of intracellular ion concentrations, such as calcium ion or sodium ion concentration accumulation. Here we examine the effects of memory on excitation dynamics in cardiac myocytes under two diseased conditions, early repolarization and reduced repolarization reserve, each with memory from two different sources: slow recovery of a potassium ion channel and slow accumulation of the intracellular calcium ion concentration. We first carry out computer simulations of action potential models described by differential equations to demonstrate complex excitation dynamics, such as chaos. We then develop iterated map models that incorporate memory, which accurately capture the complex excitation dynamics and bifurcations of the action potential models. Finally, we carry out theoretical analyses of the iterated map models to reveal the underlying mechanisms of memory-induced nonlinear dynamics. Our study demonstrates that the memory effect can be unmasked or greatly exacerbated under certain diseased conditions, which promotes complex excitation dynamics, such as chaos. The iterated map models reveal that memory converts a monotonic iterated map function into a nonmonotonic one to promote the bifurcations leading to high periodicity and chaos.

  5. Computer experiments of the time-sequence of individual steps in multiple Coulomb-excitation

    International Nuclear Information System (INIS)

    Boer, J. de; Dannhaueser, G.

    1982-01-01

    The way in which the multiple E2 steps in the Coulomb-excitation of a rotational band of a nucleus follow one another is elucidated for selected examples using semiclassical computer experiments. The role a given transition plays for the excitation of a given final state is measured by a quantity named ''importance function''. It is found that these functions, calculated for the highest rotational state, peak at times forming a sequence for the successive E2 transitions starting from the ground state. This sequential behaviour is used to approximately account for the effects on the projectile orbit of the sequential transfer of excitation energy and angular momentum from projectile to target. These orbits lead to similar deflection functions and cross sections as those obtained from a symmetrization procedure approximately accounting for the transfer of angular momentum and energy. (Auth.)

  6. Excitation functions of alpha particle induced reactions on {sup nat}Ti up to 40 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Uddin, M.S., E-mail: md.shuzauddin@yahoo.com [Tandem Accelerator Facilities, Institute of Nuclear Science and Technology, Atomic Energy Research Establishment, Savar, Dhaka (Bangladesh); Scholten, B. [Institut für Neurowissenschaften und Medizin, INM-5:Nuklearchemie, Forschungszentrum Jülich, D-52425 Jülich (Germany)

    2016-08-01

    Excitation functions of the reactions {sup nat}Ti(α,x){sup 48}Cr, {sup nat}Ti(α,x){sup 48}V and {sup nat}Ti(α,x){sup 46,48}Sc were determined by the stacked-foil activation technique up to 40 MeV. The radioactivities produced in the {sup nat}Ti target were measured by γ-ray spectrometry using HPGe detector. The reaction {sup nat}Ti(α,x){sup 51}Cr was used to determine the beam parameters. New experimental values for the above reactions have been obtained. An intercomparison of our data with the available literature values has been done. The cross section results obtained in this work could be useful in defining new monitor reactions, radiation safety and isotope production.

  7. Earth orientation and its excitations by atmosphere, oceans, and geomagnetic jerks

    Directory of Open Access Journals (Sweden)

    Vondrák J.

    2015-01-01

    Full Text Available In addition to torques exerted by the Moon, Sun, and planets, changes of the Earth orientation parameters (EOP are known to be caused also by excitations by the atmosphere and oceans. Recently appeared studies, hinting that geomagnetic jerks (GMJ, rapid changes of geomagnetic field might be associated with sudden changes of phase and amplitude of EOP (Holme and de Viron 2005, 2013, Gibert and Le Mouёl 2008, Malkin 2013. We (Ron et al. 2015 used additional excitations applied at the epochs of GMJ to derive its influence on motion of the spin axis of the Earth in space (precession-nutation. We demonstrated that this effect, if combined with the influence of the atmosphere and oceans, improves substantially the agreement with celestial pole offsets observed by Very Long-Baseline Interferometry. Here we concentrate our efforts to study possible influence of GMJ on temporal changes of all five Earth orientation parameters defining the complete Earth orientation in space. Numerical integration of Brzeziński's broad-band Liouville equations (Brzeziński 1994 with atmospheric and oceanic excitations, combined with expected GMJ effects, is used to derive EOP and compare them with their observed values. We demonstrate that the agreement between all five Earth orientation parameters integrated by this method and those observed by space geodesy is improved substantially if the influence of additional excitations at GMJ epochs is added to excitations by the atmosphere and oceans.

  8. Earth Orientation and Its Excitations by Atmosphere, Oceans, and Geomagnetic Jerks

    Science.gov (United States)

    Vondrák, J.; Ron, C.

    2015-12-01

    In addition to torques exerted by the Moon, Sun, and planets, changes of the Earth orientation parameters (EOP) are known to be caused also by excitations by the atmosphere and oceans. Recently appeared studies, hinting that geomagnetic jerks (GMJ, rapid changes of geomagnetic field) might be associated with sudden changes of phase and amplitude of EOP (Holme and de Viron 2005, 2013, Gibert and Le Mouël 2008, Malkin 2013). We (Ron et al. 2015) used additional excitations applied at the epochs of GMJ to derive its influence on motion of the spin axis of the Earth in space (precession-nutation). We demonstrated that this effect, if combined with the influence of the atmosphere and oceans, improves substantially the agreement with celestial pole offsets observed by Very Long-Baseline Interferometry. Here we concentrate our efforts to study possible influence of GMJ on temporal changes of all five Earth orientation parameters defining the complete Earth orientation in space. Numerical integration of Brzeziński's broad-band Liouville equations (Brzeziński 1994) with atmospheric and oceanic excitations, combined with expected GMJ effects, is used to derive EOP and compare them with their observed values. We demonstrate that the agreement between all five Earth orientation parameters integrated by this method and those observed by space geodesy is improved substantially if the influence of additional excitations at GMJ epochs is added to excitations by the atmosphere and oceans.

  9. Ionization and excitation of uranium in a hollow-cathode lamp

    International Nuclear Information System (INIS)

    Gagne, J.M.; Pianarosa, P.; Larin, G.; Saint-Dizier, J.P.; Bouchard, P.

    1981-01-01

    The influence of different carrier gases (Ne,Ar,Kr,Xe) their pressure, and discharge current on the excitation and ionization of uranium atoms in a vapor generator of hollow-cathode design has been investigated by monitoring emission line intensities. From our measurements of line intensities as a function of the carrier gas we obtain an indication of the role of Penning collisions on the excitation of radiative levels in U II

  10. Electronic excitation effects on secondary ion emission in highly charged ion-solid interaction

    International Nuclear Information System (INIS)

    Sekioka, T.; Terasawa, M.; Mitamura, T.; Stoeckli, M.P.; Lehnert, U.; Fehrenbach, C.

    2001-01-01

    In order to investigate the secondary ion emission from the surface of conductive materials bombarded by highly charged heavy ions, we have done two types of experiments. First, we have measured the yield of the sputtered ions from the surface of solid targets of conductive materials (Al, Si, Ni, Cu) bombarded by Xe q+ (q=15-44) at 300 keV (v p =0.30 a.u) and at 1.0 MeV (v p =0.54 a.u). In view of the secondary ion yields as a function of the potential energy of the projectile, the increase rates below q=35, where the potential energy amounts to 25.5 keV, were rather moderate and showed a prominent increase above q=35. These phenomena were rather strong in the case of the metal targets. Second, we have measured the energy dependence of the yield of the sputtered ions from the surface of solid targets of conductive materials (C, Al) bombarded by Xe q+ (q=30,36,44) between 76 keV (v p =0.15 a.u) and 6.0 MeV (v p =1.3 a.u). A broad enhancement of the secondary ion yield has been found for Al target bombarded by Xe 44+ . From these experimental results, the electronic excitation effects in conductive materials for impact of slow highly charged heavy ions bearing high potential energy is discussed

  11. Japanese version of the ALS-FTD-Questionnaire (ALS-FTD-Q-J).

    Science.gov (United States)

    Watanabe, Yasuhiro; Beeldman, Emma; Raaphorst, Joost; Izumi, Yuishin; Yoshino, Hiide; Masuda, Michihito; Atsuta, Naoki; Ito, Satoru; Adachi, Tadashi; Adachi, Yoshiki; Yokota, Osamu; Oda, Masaya; Hanashima, Ritsuko; Ogino, Mieko; Ichikawa, Hiroo; Hasegawa, Kazuko; Kimura, Hideki; Shimizu, Toshio; Aiba, Ikuko; Yabe, Hayato; Kanba, Makoto; Kusumi, Kimiyoshi; Aoki, Tetsuya; Hiroe, Yu; Watanabe, Hirohisa; Nishiyama, Kazutoshi; Nomoto, Masahiro; Sobue, Gen; Nakashima, Kenji

    2016-08-15

    Amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD) share common clinical, genetic and neuropathological features. Some ALS patients have behavioral/personality changes, which could result in significant obstacles in the care provided by family members and caregivers. An easy screening tool would contribute greatly to the evaluation of these symptoms. We translated the ALS-FTD-Questionnaire, developed in the Netherlands, into Japanese (ALS-FTD-Q-J) and examined the clinimetric properties (internal consistency, construct and clinical validity). Patients with ALS and/or behavioral variant FTD (bvFTD) were evaluated alongside healthy controls in this multicenter study. All ALS patients, regardless of bvFTD status, were further evaluated by the frontal behavioral inventory (FBI) and for frontal/executive function, cognition, anxiety/depression, and motor functions. Data from 146 subjects were analyzed: ALS (92), ALS-bvFTD (6), bvFTD (16), and healthy controls (32). The internal consistency of the ALS-FTD-Q-J was good (Cronbach α=0.92). The ALS-FTD-Q-J showed construct validity as it exhibited a high correlation with the FBI (r=0.79). However, correlations were moderate with anxiety/depression and low with cognitive scales, in contrast to the original report, i.e. a moderate correlation with cognition and a low correlation with anxiety/depression. The ALS-FTD-Q-J discriminated ALS patients from (ALS-)bvFTD patients and controls. Thus, the ALS-FTD-Q-J is useful for evaluating Japanese ALS/FTD patients. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. The momentum transfer dependence of double excitations of helium

    International Nuclear Information System (INIS)

    Zhu Lin-Fan; Liu Xiao-Jing; Yuan Zhen-Sheng; Xu Ke-Zun

    2005-01-01

    The momentum transfer dependence of fundamental double excitation processes of helium is studied with high resolution and fast electron impact. It elucidates the dynamical correlations, in terms of internal correlation quantum numbers, K, T and A. The Fano profile parameters q, f a , ρ 2 , f and S of doubly excited states 2 (1,0) 2 +1se , 2 (0,1) 2 +1p0 and 2 (1,0) 2 +1De are determined as functions of momentum transfer K 2 . (author)

  13. Many-body excitations and deexcitations in trapped ultracold bosonic clouds

    Science.gov (United States)

    Theisen, Marcus; Streltsov, Alexej I.

    2016-11-01

    We employ the multiconfigurational time-dependent Hartree for bosons (MCTDHB) method to study excited states of interacting Bose-Einstein condensates confined by harmonic and double-well trap potentials. Two approaches to access excitations, one static and the other dynamic, are investigated and contrasted. In static simulations the low-lying excitations are computed by utilizing a linear-response theory constructed on top of a static MCTDHB solution (LR-MCTDHB). Complimentarily, we propose two dynamic protocols that address excitations by propagating the MCTDHB wave function. In particular, we investigate dipolelike oscillations induced by shifting the origin of the confining potential and breathinglike excitations by quenching the frequency of a parabolic part of the trap. To contrast static predictions and dynamic results we compute the time evolution and regard the respective Fourier transform of several local and nonlocal observables. Namely, we study the expectation value of the position operator , its variance Var [x (t )] , and a local density computed at selected positions. We find that the variance is the most sensitive and informative quantity: Along with excitations it contains information about deexcitations even in a linear regime of the induced dynamics. The dynamic protocols are found to access the many-body excitations predicted by the static LR-MCTDHB approach.

  14. Excitation functions of the (pn) and (p,2n) reactions on Cd isotopes. [(pn) and (p,2n) reactions on the sup(110-114,116)Cd

    Energy Technology Data Exchange (ETDEWEB)

    Skakun, E A; Klyucharev, A P; Rakivnenko, Yu N; Romanij, I A [AN Ukrainskoi SSR, Kiev. Fiziko-Tekhnicheskii Inst.

    1975-01-01

    Excitation functions of (pn)- and (p,2n)-reactions on /sup 110/-/sup 114/,/sup 116/Cd nuclei are measured in a range of incident proton energy up to 20 MeV. Experimental results are compared to calculated ones.

  15. Measurement of cross-sections for step-bystep excitation of inert gas atoms from metastable states by electron collisions

    International Nuclear Information System (INIS)

    Mityureva, A.A.; Penkin, N.P.; Smirnov, V.V.

    1989-01-01

    Excitation of argon atoms by electron collisions from metastable (MS) to high-lying states of inert gases (the so-called step-by-step excitation) is investigated. Formation of MS atoms m and their further step-by-step excitation up to k level is carried out by an electron beam with energy from 1 up to 40 eV. Time distribution of forming metastable and step-by-step electron collisions is used. The method used permits to measure the functions of step-by-step excitation and the absolute values of cross sections. Absolute values of cross-sections and functions of step-by-step excitation of some lines and argon levels are obtained

  16. Electronic-excitation energy transfer in heterogeneous dye solutions under laser excitation

    International Nuclear Information System (INIS)

    Levshin, L.V.; Mukushev, B.T.; Saletskii, A.M.

    1995-01-01

    An experimental study has been made of electronic-excitation energy transfer (EEET) among dye molecules of different types for different exciting-fight wavelengths and temperatures. Upon selective laser excitation of the donor, the inhomogeneous broadening of molecular levels increases the probability of EEET from the donor to acceptor molecules. The efficiency of this process is directly proportional to the acceptor molecule concentration and is temperature dependent. The EEET is accompanied by the spectral migration of energy among donor molecules, which reduces the fluorescence quantum efficiency of the donor. Increasing the frequency of the exciting light decreases in the donor fluorescence quantum efficiency. An increase in the acceptor molecule concentration results in a decrease of the spectral migration of excitation in the donor molecule system. 5 refs., 5 figs

  17. Electron impact excitation of helium in Debye plasma

    Energy Technology Data Exchange (ETDEWEB)

    Diallo, S.; Gomis, L.; Faye, I. G.; Tall, M. S.; Diédhiou, I. [Département de Physique, Faculté des Sciences and Techniques, Université Cheikh Anta Diop, Dakar-Fann (Senegal); Diatta, C. S. [Institut International des Sciences et de Technologie, 28 Avenue des Ambassadeurs Dakar-Fann (Senegal); Zammit, M. [ARC Centre for Antimatter-Matter Studies, Curtin University, GPO Box U1987, Perth, Western Australia 6845 (Australia)

    2015-03-15

    The probability, differential, and integral scattering cross sections of the 1{sup 1}S→2{sup 1}S and 1{sup 1}S→2{sup 1}P transitions of helium have been calculated in the first Born approximation. The projectile-target interactions depending on the temperature and the density of plasma are described by the Debye-Hückel model. Wave functions of the target before and after collision were modeled by non orthogonal Hartree-Fock orbitals. The wave functions parameters are calculated with the Ritz variational method. We improve our unscreened first Born approximation integral cross sections by using the BE-scaled (B stands for binding energy and E excitation energy) method. The second Born approximation has also been used to calculate the excitation cross sections in Debye plasma. Our calculations are compared to other theoretical and experimental results where applicable.

  18. Luminescence properties of Sr{sub 3-x-3y/2}M{sub x}Ce{sub y}AlO{sub 4}F (M=Ca, Ba, 0{<=}x{<=}0.9, 0.001{<=}y{<=}0.05) phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Hye-Min [Department of Engineering in Energy and Applied Chemistry, Silla University, Busan 617-736 (Korea, Republic of); Park, Sangmoon, E-mail: spark@silla.ac.kr [Department of Engineering in Energy and Applied Chemistry, Silla University, Busan 617-736 (Korea, Republic of)

    2012-09-15

    Luminescent materials composed of Sr{sub 3-x-3y/2}M{sub x}Ce{sub y}AlO{sub 4}F (M=Ca, Ba, 0{<=}x{<=}0.9, 0.001{<=}y{<=}0.05) were prepared by the solid-state reaction method. X-ray diffraction (XRD) patterns of the obtained oxyfluorides are exhibited for indexing peak positions. Dynamic excitation and emission spectra of the Ce{sup 3+}-activated oxyfluoride phosphors are clearly monitored. The critical emission quenching as a function of Ce{sup 3+} contents in Sr{sub 2.5-3y/2}M{sub 0.5}Ce{sub y}AlO{sub 4}F phosphors is revealed at quite low concentrations of the activator. CIE coordinates of blue and green Sr{sub 2.5-3y/2}M{sub 0.5}Ce{sub y}AlO{sub 4}F phosphors are clearly measured. The relative quantum efficiency of Sr{sub 2.4985}Ca{sub 0.5}Ce{sub 0.005}AlO{sub 4}F based on the integrated emission is determined. The Sr{sub 3-x-3y/2}M{sub x}Ce{sub y}AlO{sub 4}F phosphors excited near 410 nm light could be prominent phosphors in applications of NUV-LED. - Highlights: Black-Right-Pointing-Pointer Blue and green emitting oxyfluoride phosphors are excitated near 410 nm Black-Right-Pointing-Pointer Ce{sup 3+}-activated oxyfluoride phosphors are quite effective to prepare white light for near-UV LED applications. Black-Right-Pointing-Pointer Gradual substitution of Ce{sup 3+} content in the oxyfluoride hosts changes CIE values.

  19. Vibrational-rotational excitation: chemical reactions of vibrationally excited molecules

    International Nuclear Information System (INIS)

    Moore, C.B.; Smith, I.W.M.

    1979-03-01

    This review considers a limited number of systems, particularly gas-phase processes. Excited states and their preparation, direct bimolecular reactions, reactions of highly excited molecules, and reactions in condensed phases are discussed. Laser-induced isotope separation applications are mentioned briefly. 109 references

  20. Role of dynamical screening in excitation kinetics of biased quantum wells: Nonlinear absorption and ultrabroadband terahertz emission

    DEFF Research Database (Denmark)

    Turchinovich, Dmitry; Monozon, B. S.; Jepsen, Peter Uhd

    2006-01-01

    In this work we describe the ultrafast excitation kinetics of biased quantum well, arising from the optically induced dynamical screening of a bias electric field. The initial bia electric field inside the quantum well is screened by the optically excited polarized electron-hole pairs. This leads...... wells are in good agreement with our experimental observations [Turchinovich et al., Phys. Rev. B 68, 241307(R) (2003)], as well as in perfect compliance with qualitative considerations. ©2006 American Institute of Physics...