WorldWideScience

Sample records for excitation functions relevant

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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

  7. 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)

  8. Conformality or confinement: (IR)relevance of topological excitations

    Energy Technology Data Exchange (ETDEWEB)

    Poppitz, Erich; /Toronto U.; Unsal, Mithat; /SLAC /Stanford U., Phys. Dept.

    2010-08-26

    What distinguishes two asymptotically-free non-abelian gauge theories on R{sup 4}, one of which is just below the conformal window boundary and confines, while the other is slightly above the boundary and flows to an infrared conformal field theory? In this work, we aim to answer this question for non-supersymmetric Yang-Mills theories with fermions in arbitrary chiral or vectorlike representations. We use the presence or absence of mass gap for gauge fluctuations as an identifier of the infrared behavior. With the present-day understanding of such gauge theories, the mass gap for gauge fluctuations cannot be computed on R{sup 4}. However, recent progress allows its non-perturbative computation on R{sup 3} x S{sup 1} by using either the twisted partition function or deformation theory, for a range of sizes of S{sup 1} depending on the theory. For small number of fermions, N{sub f}, we show that the mass gap increases with increasing radius, due to the non-dilution of monopoles and bions - the topological excitations relevant for confinement on R{sup 3} x S{sup 1}. For sufficiently large N{sub f}, we show that the mass gap decreases with increasing radius. In a class of theories, we claim that the decompactification limit can be taken while remaining within the region of validity of semiclassical techniques, giving the first examples of semiclassically solvable Yang-Mills theories at any size S{sup 1}. For general non-supersymmetric vectorlike or chiral theories, we conjecture that the change in the behavior of the mass gap on R{sup 3} x S{sup 1} as a function of the radius occurs near the lower boundary of the conformal window and give non-perturbative estimates of its value. For vectorlike theories, we compare our estimates of the conformal window with existing lattice results, truncations of the Schwinger-Dyson equations, NSVZ beta function-inspired estimates, and degree of freedom counting criteria. For multi-generation chiral gauge theories, to the best of our

  9. 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

  10. 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

  11. 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.

  12. 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

  13. 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%

  14. 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...

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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)

  1. 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.

  2. 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

  3. 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.)

  4. 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

  5. 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)

  6. 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.

  7. 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

  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. 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

  14. 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

  15. 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

  16. 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.)

  17. 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.

  18. 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.

  19. 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.

  20. 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...

  1. 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.

  2. 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.

  3. Accounting for the contributions of topological excitations in phase transitions through dual actions

    International Nuclear Information System (INIS)

    Ramos, Rudnei O.

    2006-01-01

    Topological excitations are believed to play an important role in different areas of physics. For example, cases of topical interest are the study of contributions of nonhomogeneous field configurations, in particular those of topological nature (like kinks, vortices and monopoles) in phase transitions associated to spontaneous symmetry breaking, the use of topological excitations in dual models of QCD to understand properties of its vacuum and confinement through the condensation of magnetic monopoles and vortices and also the relevance of these nonhomogeneous type of configurations in cosmology, again associated to possible phase transitions that are expected to have happened in the early universe. Here we show a derivation of a model dual to the scalar Abelian Higgs model where its topological excitations, namely vortex-strings, become manifest and can be treated in a quantum field theory way. The contribution of these nontrivial vacuum excitations in the phase transition for the scalar Abelian Higgs model in a thermal background is then studied and the results interpreted from the computation of the partition function taking into account the vortice-strings in the functional integration. This is made possible from the derived dual action. The relevance of the obtained results in cosmology, the analogy with phase transitions in superconductors, the relevance also for the study of confinement and other extensions of our calculations are briefly discussed here. (author)

  4. 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

  5. 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.

  6. 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

  7. 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...

  8. 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.

  9. Band excitation method applicable to scanning probe microscopy

    Science.gov (United States)

    Jesse, Stephen [Knoxville, TN; Kalinin, Sergei V [Knoxville, TN

    2010-08-17

    Methods and apparatus are described for scanning probe microscopy. A method includes generating a band excitation (BE) signal having finite and predefined amplitude and phase spectrum in at least a first predefined frequency band; exciting a probe using the band excitation signal; obtaining data by measuring a response of the probe in at least a second predefined frequency band; and extracting at least one relevant dynamic parameter of the response of the probe in a predefined range including analyzing the obtained data. The BE signal can be synthesized prior to imaging (static band excitation), or adjusted at each pixel or spectroscopy step to accommodate changes in sample properties (adaptive band excitation). An apparatus includes a band excitation signal generator; a probe coupled to the band excitation signal generator; a detector coupled to the probe; and a relevant dynamic parameter extractor component coupled to the detector, the relevant dynamic parameter extractor including a processor that performs a mathematical transform selected from the group consisting of an integral transform and a discrete transform.

  10. 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

  11. 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.

  12. Analysis and relevant treatment of diametral tolerance of exciter shaft in unit 2

    International Nuclear Information System (INIS)

    Liu Qiang

    2012-01-01

    The generator and exciter unit has three support in Qinshan Nuclear Power Plant Phase Ⅱ, there are two bearings for the generator rotor and one for the exciter, this structure results in that it is difficult to achieve the standard when checking the exciter bearing's diametral tolerance. In the fifth outage of unit 2 in Qinshan Nuclear Power Plant Phase Ⅱ, the diametral tolerance failed to achieve the standard, there were several reasons for this, such as the alignment of generator and exciter coupling, the angular moment of generator and exciter coupling bolt. the end surface condition of generator and exciter coupling, the fitting dimension of the coupling bolt hole and the sleeve in it. After the analysis of all reasons one by one, it was confirmed that the radical reason was the abnormal condition of the generator coupling end surface, the problem was solved by machining it. (author)

  13. 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

  14. 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.

  15. Functionally relevant microsatellites in sugarcane unigenes

    Directory of Open Access Journals (Sweden)

    Singh Nagendra K

    2010-11-01

    Full Text Available Abstract Background Unigene sequences constitute a rich source of functionally relevant microsatellites. The present study was undertaken to mine the microsatellites in the available unigene sequences of sugarcane for understanding their constitution in the expressed genic component of its complex polyploid/aneuploid genome, assessing their functional significance in silico, determining the extent of allelic diversity at the microsatellite loci and for evaluating their utility in large-scale genotyping applications in sugarcane. Results The average frequency of perfect microsatellite was 1/10.9 kb, while it was 1/44.3 kb for the long and hypervariable class I repeats. GC-rich trinucleotides coding for alanine and the GA-rich dinucleotides were the most abundant microsatellite classes. Out of 15,594 unigenes mined in the study, 767 contained microsatellite repeats and for 672 of these putative functions were determined in silico. The microsatellite repeats were found in the functional domains of proteins encoded by 364 unigenes. Its significance was assessed by establishing the structure-function relationship for the beta-amylase and protein kinase encoding unigenes having repeats in the catalytic domains. A total of 726 allelic variants (7.42 alleles per locus with different repeat lengths were captured precisely for a set of 47 fluorescent dye labeled primers in 36 sugarcane genotypes and five cereal species using the automated fragment analysis system, which suggested the utility of designed primers for rapid, large-scale and high-throughput genotyping applications in sugarcane. Pair-wise similarity ranging from 0.33 to 0.84 with an average of 0.40 revealed a broad genetic base of the Indian varieties in respect of functionally relevant regions of the large and complex sugarcane genome. Conclusion Microsatellite repeats were present in 4.92% of sugarcane unigenes, for most (87.6% of which functions were determined in silico. High level of

  16. 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

  17. Triplet Excited States as a Source of Relevant (Bio)Chemical Information

    OpenAIRE

    Jiménez Molero, María Consuelo; Miranda Alonso, Miguel Ángel

    2014-01-01

    The properties of triplet excited states are markedly medium-dependent, which turns this species into valuable tools for investigating the microenvironments existing in protein binding pockets. Monitoring of the triplet excited state behavior of drugs within transport proteins (serum albumins and alpha(1)-acid glycoproteins) by laser flash photolysis constitutes a valuable source of information on the strength of interaction, conformational freedom and protection from oxygen or other external...

  18. 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.

  19. 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

  20. 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.

  1. 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

  2. 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

  3. 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.

  4. 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.

  5. 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...

  6. Functional dyspepsia: Are psychosocial factors of relevance?

    Institute of Scientific and Technical Information of China (English)

    Sandra Barry; Timothy G Dinan

    2006-01-01

    The pathogenesis of Functional Dyspepsia (FD) remains unclear, appears diverse and is thus inadequately understood. Akin to other functional gastrointestinal disorders, research has demonstrated an association between this common diagnosis and psychosocial factors and psychiatric morbidity. Conceptualising the relevance of these factors within the syndrome of FD requires application of the biopsychosocial model of disease.Using this paradigm, dysregulation of the reciprocal communication between the brain and the gut is central to symptom generation, interpretation and exacerbation.Appreciation and understanding of the neurobiological correlates of various psychological states is also relevant.The view that psychosocial factors exert their influence in FD predominantly through motivation of health care seeking also persists. This appears too one-dimensional an assertion in light of the evidence available supporting a more intrinsic aetiological link. Evolving understanding of pathogenic mechanisms and the heterogeneous nature of the syndrome will facilitate effective management.Co-morbid psychiatric illness warrants treatment with conventional therapies. Acknowledging the relevance of psychosocial variables in FD, the degree of which is subject to variation, has implications for assessment and management. Available evidence suggests psychological therapies may benefit FD patients particularly those with chronic symptoms. The rationale for use of psychotropic medications in FD is apparent but the evidence base to support the use of antidepressant pharmacotherapy is to date limited.

  7. 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.

  8. 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.

  9. 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.

  10. 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...

  11. 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.)

  12. 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)

  13. Brain Distribution and Modulation of Neuronal Excitability by Indicaxanthin From Opuntia Ficus Indica Administered at Nutritionally-Relevant Amounts

    Directory of Open Access Journals (Sweden)

    Giuditta Gambino

    2018-05-01

    Full Text Available Several studies have recently investigated the role of nutraceuticals in complex pathophysiological processes such as oxidative damages, inflammatory conditions and excitotoxicity. In this regard, the effects of nutraceuticals on basic functions of neuronal cells, such as excitability, are still poorly investigated. For this reason, the possible modulation of neuronal excitability by phytochemicals (PhC could represent an interesting field of research given that excitotoxicity phenomena are involved in neurodegenerative alterations leading, for example, to Alzheimer’s disease. The present study was focused on indicaxanthin from Opuntia ficus indica, a bioactive betalain pigment, with a proven antioxidant and anti-inflammatory potential, previously found to cross blood-brain barrier (BBB and to modulate the bioelectric activity of hippocampal neurons. On this basis, we aimed at detecting the specific brain areas where indicaxanthin localizes after oral administration at dietary-achievable amounts and highlighting eventual local effects on the excitability of single neuronal units. HPLC analysis of brain tissue 1 h after ingestion of 2 μmol/kg indicaxanthin indicated that the phytochemical accumulates in cortex, hippocampus, diencephalon, brainstem and cerebellum, but not in the striato-pallidal complex. Then, electrophysiological recordings, applying the microiontophoretic technique, were carried out with different amounts of indicaxanthin (0.34, 0.17, 0.085 ng/neuron to assess whether indicaxanthin influenced the neuronal firing rate. The data showed that the bioelectric activity of neurons belonging to different brain areas was modulated after local injection of indicaxanthin, mainly with dose-related responses. A predominating inhibitory effect was observed, suggesting a possible novel beneficial effect of indicaxanthin in reducing cell excitability. These findings can constitute a new rationale for exploring biological mechanisms through

  14. Brain Distribution and Modulation of Neuronal Excitability by Indicaxanthin From Opuntia Ficus Indica Administered at Nutritionally-Relevant Amounts

    Science.gov (United States)

    Gambino, Giuditta; Allegra, Mario; Sardo, Pierangelo; Attanzio, Alessandro; Tesoriere, Luisa; Livrea, Maria A.; Ferraro, Giuseppe; Carletti, Fabio

    2018-01-01

    Several studies have recently investigated the role of nutraceuticals in complex pathophysiological processes such as oxidative damages, inflammatory conditions and excitotoxicity. In this regard, the effects of nutraceuticals on basic functions of neuronal cells, such as excitability, are still poorly investigated. For this reason, the possible modulation of neuronal excitability by phytochemicals (PhC) could represent an interesting field of research given that excitotoxicity phenomena are involved in neurodegenerative alterations leading, for example, to Alzheimer’s disease. The present study was focused on indicaxanthin from Opuntia ficus indica, a bioactive betalain pigment, with a proven antioxidant and anti-inflammatory potential, previously found to cross blood-brain barrier (BBB) and to modulate the bioelectric activity of hippocampal neurons. On this basis, we aimed at detecting the specific brain areas where indicaxanthin localizes after oral administration at dietary-achievable amounts and highlighting eventual local effects on the excitability of single neuronal units. HPLC analysis of brain tissue 1 h after ingestion of 2 μmol/kg indicaxanthin indicated that the phytochemical accumulates in cortex, hippocampus, diencephalon, brainstem and cerebellum, but not in the striato-pallidal complex. Then, electrophysiological recordings, applying the microiontophoretic technique, were carried out with different amounts of indicaxanthin (0.34, 0.17, 0.085 ng/neuron) to assess whether indicaxanthin influenced the neuronal firing rate. The data showed that the bioelectric activity of neurons belonging to different brain areas was modulated after local injection of indicaxanthin, mainly with dose-related responses. A predominating inhibitory effect was observed, suggesting a possible novel beneficial effect of indicaxanthin in reducing cell excitability. These findings can constitute a new rationale for exploring biological mechanisms through which PhC could

  15. Triplet excited States as a source of relevant (bio)chemical information.

    Science.gov (United States)

    Jiménez, M Consuelo; Miranda, Miguel A

    2014-01-01

    The properties of triplet excited states are markedly medium-dependent, which turns this species into valuable tools for investigating the microenvironments existing in protein binding pockets. Monitoring of the triplet excited state behavior of drugs within transport proteins (serum albumins and α1-acid glycoproteins) by laser flash photolysis constitutes a valuable source of information on the strength of interaction, conformational freedom and protection from oxygen or other external quenchers. With proteins, formation of spatially confined triplet excited states is favored over competitive processes affording ionic species. Remarkably, under aerobic atmosphere, the triplet decay of drug@protein complexes is dramatically longer than in bulk solution. This offers a convenient dynamic range for assignment of different triplet populations or for stereochemical discrimination. In this review, selected examples of the application of the laser flash photolysis technique are described, including drug distribution between the bulk solution and the protein cavities, or between two types of proteins, detection of drug-drug interactions inside proteins, and enzyme-like activity processes mediated by proteins. Finally, protein encapsulation can also modify the photoreactivity of the guest. This is illustrated by presenting an example of retarded photooxidation.

  16. 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...

  17. 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.

  18. 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

  19. 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.)

  20. 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

  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. Competition between excitation and bleaching of thermoluminescence

    International Nuclear Information System (INIS)

    Chen, R.; Hornyak, W.F.

    1990-01-01

    The bleaching of thermoluminescence (TL) yield to a residual value by light is explained, at least in some cases, to be due to an equilibrium between excitation and de-excitation by the illuminating light. Kinetic differential equations are given governing the process for the simple case of a single trapping state for electrons and a single variety of hole recombination centre. The equations are solved numerically for chosen sets of the relevant parameters starting either from empty traps and centres or from highly populated ones. In agreement with experimental results, the numerical computation predicts that after a long enough illumination the process of filling of the traps converges to the same equilibrium value as that produced by bleaching. It is also found that the equilibrium value is independent of the intensity, though, of course, this is approached faster with more intense light. The computed dependencies of the filling of trapping states as a function of illumination time are shown. The final equilibrium value for the filling of trapping states can also be evaluated analytically for any set of given parameters; these compare very favourably with the calculated results. The change of the results with the variation of the relevant parameters is discussed. (author)

  5. 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.

  6. Scattering of highly excited atoms

    International Nuclear Information System (INIS)

    Raith, W.

    1980-01-01

    Experimental methods to excite atomic beams into Rydberg states and the first results of collision experiments with such beams are reported. For further information see hints under relevant topics. (orig.) [de

  7. 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

  8. Cross sections for energy transfer in collisions between two excited sodium atoms

    International Nuclear Information System (INIS)

    Huennekens, J.; Gallagher, A.

    1983-01-01

    We have measured cross sections, sigma/sub n/L, for the excitation transfer process Na(3P)+Na(3P)→Na(3S)+Na(nL), where nL is the 4D or 5S level. Our results are sigma/sub 4D/ = 23 A 2 +- 35% and sigma/sub 5S/ = 16 A 2 +- 35% at Tapprox.600 K. To obtain these cross sections we have used pulsed excitation and measured the intensities of 4D, 5S, and 3P fluorescence emissions, and the spatial distribution of excited atoms resulting from radiation diffusion, as well as the excited atom density as a function of time. Additionally, we have accounted for (time-dependent) radiation trapping of 3P and nL level radiation and for the resulting anisotropies of these fluorescence emissions. Comparisons of our results with theory have been made, and their relevance to other experiments is discussed

  9. 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

  10. 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.

  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. Excited baryons

    International Nuclear Information System (INIS)

    Mukhopadhyay, N.C.

    1986-01-01

    The status of the theory of the low-energy approach to hadron structure is reviewed briefly by surveying a few relevant models. A few examples of tests needed to sort out the predictions of different models pertaining to the quark-gluon structure of hadrons are discussed, and given the resulting physics objectives, a few experimental options for excited baryon research at CFBAF are suggested

  13. Excited baryons

    Energy Technology Data Exchange (ETDEWEB)

    Mukhopadhyay, N.C.

    1986-01-01

    The status of the theory of the low-energy approach to hadron structure is reviewed briefly by surveying a few relevant models. A few examples of tests needed to sort out the predictions of different models pertaining to the quark-gluon structure of hadrons are discussed, and given the resulting physics objectives, a few experimental options for excited baryon research at CFBAF are suggested. (LEW)

  14. 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...

  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. 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

  19. 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.

  20. Functional relevance of water and glycerol channels in Saccharomyces cerevisiae.

    Science.gov (United States)

    Sabir, Farzana; Loureiro-Dias, Maria C; Soveral, Graça; Prista, Catarina

    2017-05-01

    Our understanding of the functional relevance of orthodox aquaporins and aquaglyceroporins in Saccharomyces cerevisiae is essentially based on phenotypic variations obtained by expression/overexpression/deletion of these major intrinsic proteins in selected strains. These water/glycerol channels are considered crucial during various life-cycle phases, such as sporulation and mating and in some life processes such as rapid freeze-thaw tolerance, osmoregulation and phenomena associated with cell surface. Despite their putative functional roles not only as channels but also as sensors, their underlying mechanisms and their regulation are still poorly understood. In the present review, we summarize and discuss the physiological relevance of S. cerevisiae aquaporins (Aqy1 and Aqy2) and aquaglyceroporins (Fps1 and Yfl054c). In particular, the fact that most S. cerevisiae laboratory strains harbor genes coding for non-functional aquaporins, while wild and industrial strains possess at least one functional aquaporin, suggests that aquaporin activity is required for cell survival under more harsh conditions. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  1. 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)

  2. 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.)

  3. 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.

  4. 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

  5. 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

  6. 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 ...

  7. 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)

  8. 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

  9. 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.

  10. 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

  11. 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.

  12. Recent experiments involving highly excited atoms

    International Nuclear Information System (INIS)

    Latimer, C.J.

    1979-01-01

    Very large and fragile atoms may be produced by exciting normal atoms with light or by collisions with other atomic particles. Atoms as large as 10 -6 m are now routinely produced in the laboratory and their properties studied. In this review some of the simpler experimental methods available for the production and detection of such atoms are described including tunable dye laser-excitation and field ionization. A few recent experiments which illustrate the collision properties and the effects of electric and and magnetic fields are also described. The relevance of highly excited atoms in other areas of research including radioastronomy and isotope separation are discussed. (author)

  13. 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

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. The quest for novel modes of excitation in exotic nuclei

    Science.gov (United States)

    Paar, N.

    2010-06-01

    This paper provides an insight into several open problems in the quest for novel modes of excitation in nuclei with isospin asymmetry, deformation and finite-temperature characteristics in stellar environments. Major unsolved problems include the nature of pygmy dipole resonances, the quest for various multipole and spin-isospin excitations both in neutron-rich and proton drip-line nuclei mainly driven by loosely bound nucleons, excitations in unstable deformed nuclei and evolution of their properties with the shape phase transition. Exotic modes of excitation in nuclei at finite temperatures characteristic of supernova evolution present open problems with a possible impact in modeling astrophysically relevant weak interaction rates. All these issues challenge self-consistent many-body theory frameworks at the frontiers of on-going research, including nuclear energy density functionals, both phenomenological and constrained by the strong interaction physics of QCD, models based on low-momentum two-nucleon interaction Vlow-k and correlated realistic nucleon-nucleon interaction VUCOM, supplemented by three-body force, as well as two-nucleon and three-nucleon interactions derived from the chiral effective field theory. Joined theoretical and experimental efforts, including research with radioactive isotope beams, are needed to provide insight into dynamical properties of nuclei away from the valley of stability, involving the interplay of isospin asymmetry, deformation and finite temperature.

  20. Why relevance theory is relevant for lexicography

    DEFF Research Database (Denmark)

    Bothma, Theo; Tarp, Sven

    2014-01-01

    This article starts by providing a brief summary of relevance theory in information science in relation to the function theory of lexicography, explaining the different types of relevance, viz. objective system relevance and the subjective types of relevance, i.e. topical, cognitive, situational...... that is very important for lexicography as well as for information science, viz. functional relevance. Since all lexicographic work is ultimately aimed at satisfying users’ information needs, the article then discusses why the lexicographer should take note of all these types of relevance when planning a new...... dictionary project, identifying new tasks and responsibilities of the modern lexicographer. The article furthermore discusses how relevance theory impacts on teaching dictionary culture and reference skills. By integrating insights from lexicography and information science, the article contributes to new...

  1. 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...

  2. Language identification using excitation source features

    CERN Document Server

    Rao, K Sreenivasa

    2015-01-01

    This book discusses the contribution of excitation source information in discriminating language. The authors focus on the excitation source component of speech for enhancement of language identification (LID) performance. Language specific features are extracted using two different modes: (i) Implicit processing of linear prediction (LP) residual and (ii) Explicit parameterization of linear prediction residual. The book discusses how in implicit processing approach, excitation source features are derived from LP residual, Hilbert envelope (magnitude) of LP residual and Phase of LP residual; and in explicit parameterization approach, LP residual signal is processed in spectral domain to extract the relevant language specific features. The authors further extract source features from these modes, which are combined for enhancing the performance of LID systems. The proposed excitation source features are also investigated for LID in background noisy environments. Each chapter of this book provides the motivatio...

  3. Sexual Well-Being in Older Women: The Relevance of Sexual Excitation and Sexual Inhibition.

    Science.gov (United States)

    Bell, Suzanne; Reissing, Elke D

    2017-01-01

    The aim of this study was to use the dual control model of sexual response (DCM) to investigate variation in sexual well-being among women 50 years of age and older. Data from 185 women 50 years of age and older (M = 59.46, SD = 6.96) were used to examine the relationships between sexual excitation (SE) and sexual inhibition (SI) and their lower-order factors to indicators of sexual well-being (i.e., sexual functioning, satisfaction, distress, frequency of sexual activity, and breadth of sexual behavior). Possible moderating factors were also explored. Independently, SE and SI were associated with the majority of the indicators of sexual well-being, and the directions of associations were consistent with the tenets of the DCM. SE and SI lower-order factors were significant predictors of sexual function, satisfaction, and frequency of sexual activity. Sexual distress was predicted more strongly by SI factors and breadth of sexual behavior by one SE lower-order factor (arousability). Partner physical and mental health and participant's own mental health were identified as moderating variables of these associations. Findings of this study are discussed considering the contribution of the DCM to understanding the role of diversity in older women's sexual well-being.

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. Motor excitability measurements: the influence of gender, body mass index, age and temperature in healthy controls.

    Science.gov (United States)

    Casanova, I; Diaz, A; Pinto, S; de Carvalho, M

    2014-04-01

    The technique of threshold tracking to test axonal excitability gives information about nodal and internodal ion channel function. We aimed to investigate variability of the motor excitability measurements in healthy controls, taking into account age, gender, body mass index (BMI) and small changes in skin temperature. We examined the left median nerve of 47 healthy controls using the automated threshold-tacking program, QTRAC. Statistical multiple regression analysis was applied to test relationship between nerve excitability measurements and subject variables. Comparisons between genders did not find any significant difference (P>0.2 for all comparisons). Multiple regression analysis showed that motor amplitude decreases with age and temperature, stimulus-response slope decreases with age and BMI, and that accommodation half-time decrease with age and temperature. The changes related to demographic features on TRONDE protocol parameters are small and less important than in conventional nerve conduction studies. Nonetheless, our results underscore the relevance of careful temperature control, and indicate that interpretation of stimulus-response slope and accommodation half-time should take into account age and BMI. In contrast, gender is not of major relevance to axonal threshold findings in motor nerves. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  9. 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...

  10. 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

  11. 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.

  12. Theoretical resonant electron-impact vibrational excitation, dissociative recombination and dissociative excitation cross sections of ro-vibrationally excited BeH"+ ion

    International Nuclear Information System (INIS)

    Laporta, V.; Chakrabarti, K.; Celiberto, R.; Janev, R. K.; Mezei, J. Zs.; Niyonzima, S.; Tennyson, J.; Schneider, I.F.

    2017-01-01

    A theoretical study of resonant vibrational excitation, dissociative recombination and dissociative excitation processes of the beryllium monohydride cation, BeH"+ , induced by electron impact, is reported. Full sets of ro-vibrationally-resolved cross sections and of the corresponding Maxwellian rate coefficients are presented for the three processes. Particular emphasis is given to the high-energy behaviour. Potential curves of "2σ"+, "2σ and "2δ symmetries and the corresponding resonance widths, obtained from R-matrix calculations, provide the input for calculations which use a local complex-potential model for resonant collisions in each of the three symmetries. Rotational motion of nuclei and isotopic effects are also discussed. The relevant results are compared with those obtained using a multichannel quantum defect theory method. Full results are available from the Phys4Entry database.

  13. 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

  14. Novel collective excitations and the quasi-particle picture of quarks coupled with a massive boson at finite temperature

    International Nuclear Information System (INIS)

    Kitazawa, Masakiyo; Kunihiro, Teiji; Nemoto, Yukio

    2007-01-01

    Motivated by the observation that there may exist hadronic excitations even in the quark-gluon plasma (QGP) phase, we investigate how the properties of quarks, especially within the quasi-particle picture, are affected by the coupling with bosonic excitations at finite temperature (T), employing Yukawa models with a massive scalar (pseudoscalar) and vector (axial-vector) boson of mass m. The quark spectral function and the quasi-dispersion relations are calculated at one-loop order. We find that there appears at three-peak structure in the quark spectral function with a collective nature when T is comparable with m, irrespective of the type of boson considered. Such a multi-peak structure was first found in a chiral model yielding scalar composite bosons with a decay width. We elucidate the mechanism through which the new quark collective excitations are realized in terms of the Landau damping of a quark (an antiquark) induced by scattering with the thermally excited boson, which gives rise to mixing and hence a level repulsion between a quark (antiquark) and an antiquark-hole (quark-hole) in the thermally excited antiquark (quark) distribution. Our results suggest that the quarks in the QGP phase can be described within an interesting quasi-particle picture with a multi-peak spectral function. Because the models employed here are rather generic, our findings may represent a universal phenomenon for fermions coupled to a massive bosonic excitation with a vanishing or small width. The relevance of these results to other fields of physics, such as neutrino physics, is also briefly discussed. In addition, we describe a new aspect of the plasmino excitation obtained in the hard-thermal loop approximation. (author)

  15. 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.

  16. 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

  17. 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.

  18. Stimulus-response correspondence effect as a function of temporal overlap between relevant and irrelevant information processing.

    Science.gov (United States)

    Wang, Dong-Yuan Debbie; Richard, F Dan; Ray, Brittany

    2016-01-01

    The stimulus-response correspondence (SRC) effect refers to advantages in performance when stimulus and response correspond in dimensions or features, even if the common features are irrelevant to the task. Previous research indicated that the SRC effect depends on the temporal course of stimulus information processing. The current study investigated how the temporal overlap between relevant and irrelevant stimulus processing influences the SRC effect. In this experiment, the irrelevant stimulus (a previously associated tone) preceded the relevant stimulus (a coloured rectangle). The irrelevant and relevant stimuli onset asynchrony was varied to manipulate the temporal overlap between the irrelevant and relevant stimuli processing. Results indicated that the SRC effect size varied as a quadratic function of the temporal overlap between the relevant stimulus and irrelevant stimulus. This finding extends previous experimental observations that the SRC effect size varies in an increasing or decreasing function with reaction time. The current study demonstrated a quadratic function between effect size and the temporal overlap.

  19. Electron energy distributions and excitation rates in high-frequency argon discharges

    International Nuclear Information System (INIS)

    Ferreira, C.M.; Loureiro, J.

    1983-06-01

    The electron energy distribution functions and rate coefficients for excitation and ionisation in argon under the action of an uniform high-frequency electric field were calculated by numerically solving the homogeneous Boltzmann equation. Analytic calculations in the limiting cases ω>>νsub(c) and ω<<νsub(c), where ω is the wave angular frequency and νsub(c) is the electron-neutral collision frequency for momentum transfer, are also presented and shown to be in very good agreement with the numerical computations. The results reported here are relevant for the modelling of high-frequency discharges in argon and, in particular, for improving recent theoretical descriptions of a plasma column sustained by surface microwaves. The properties of surface wave produced plasmas make them interesting as possible substitutes for other more conventional plasma sources for such important applications as plasma chemistry laser excitation, plasma etching spectroscopic sources etc...

  20. Brief report: Inhibitory control of socially relevant stimuli in children with high functioning autism

    NARCIS (Netherlands)

    Geurts, H.M.; Begeer, S.; Stockman, L.

    2009-01-01

    The current study explored whether inhibitory control deficits in high functioning autism (HFA) emerged when socially relevant stimuli were used and whether arousal level affected the performance. A Go/NoGo paradigm, with socially relevant stimuli and varying presentation rates, was applied in 18

  1. 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.

  2. 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

  3. 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.

  4. 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)

  5. 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

  6. Hierarchy of temporal responses of multivariate self-excited epidemic processes

    Science.gov (United States)

    Saichev, Alexander; Maillart, Thomas; Sornette, Didier

    2013-04-01

    Many natural and social systems are characterized by bursty dynamics, for which past events trigger future activity. These systems can be modelled by so-called self-excited Hawkes conditional Poisson processes. It is generally assumed that all events have similar triggering abilities. However, some systems exhibit heterogeneity and clusters with possibly different intra- and inter-triggering, which can be accounted for by generalization into the "multivariate" self-excited Hawkes conditional Poisson processes. We develop the general formalism of the multivariate moment generating function for the cumulative number of first-generation and of all generation events triggered by a given mother event (the "shock") as a function of the current time t. This corresponds to studying the response function of the process. A variety of different systems have been analyzed. In particular, for systems in which triggering between events of different types proceeds through a one-dimension directed or symmetric chain of influence in type space, we report a novel hierarchy of intermediate asymptotic power law decays ˜ 1/ t 1-( m+1) θ of the rate of triggered events as a function of the distance m of the events to the initial shock in the type space, where 0 < θ < 1 for the relevant long-memory processes characterizing many natural and social systems. The richness of the generated time dynamics comes from the cascades of intermediate events of possibly different kinds, unfolding via random changes of types genealogy.

  7. 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.

  8. System characterization of neuronal excitability in the hippocampus and its relevance to observed dynamics of spontaneous seizure-like transitions

    Science.gov (United States)

    Zalay, Osbert C.; Serletis, Demitre; Carlen, Peter L.; Bardakjian, Berj L.

    2010-06-01

    Most forms of epilepsy are marked by seizure episodes that arise spontaneously. The low-magnesium/high-potassium (low-Mg2+/high-K+) experimental model of epilepsy is an acute model that produces spontaneous, recurring seizure-like events (SLEs). To elucidate the nature of spontaneous seizure transitions and their relationship to neuronal excitability, whole-cell recordings from the intact hippocampus were undertaken in vitro, and the response of hippocampal CA3 neurons to Gaussian white noise injection was obtained before and after treatment with various concentrations of low-Mg2+/high-K+ solution. A second-order Volterra kernel model was estimated for each of the input-output response pairs. The spectral energy of the responses was also computed, providing a quantitative measure of neuronal excitability. Changes in duration and amplitude of the first-order kernel correlated positively with the spectral energy increase following treatment with low-Mg2+/high-K+ solution, suggesting that variations in neuronal excitability are coded by the system kernels, in part by differences to the profile of the first-order kernel. In particular, kernel duration was more sensitive than amplitude to changes in spectral energy, and correlated more strongly with kernel area. An oscillator network model of the hippocampal CA3 was constructed to investigate the relationship of kernel duration to network excitability, and the model was able to generate spontaneous, recurrent SLEs by increasing the duration of a mode function analogous to the first-order kernel. Results from the model indicated that disruption to the dynamic balance of feedback was responsible for seizure-like transitions and the observed intermittency of SLEs. A physiological candidate for feedback imbalance consistent with the network model is the destabilizing interaction of extracellular potassium and paroxysmal neuronal activation. Altogether, these results (1) validate a mathematical model for epileptiform

  9. Dissociative photoionization of IBr following I(4d) and Br(3d) inner-shell excitations in the range of 60 ∼ 133 eV: remarkable biased charge spread relevant to the core-hole states

    International Nuclear Information System (INIS)

    Boo, Bong Hyun; Koyano, Inosuke

    2002-01-01

    Dissociative photoionization of an interhalogen molecule, iodine monobromide (IBr), spanning the I(4d) and the Br(3d) inner-shell excitation/ionization regions has been studied by using time-of-flight (TOF) mass spectrometry coupled to synchrotron radiation in the range of 60 ∼ 133 eV. The total and the individual photoion yields have been recorded as functions of the photon energy. Here, a giant shape resonance has been observed owing to the I(4d 10 ) →I(4d 9 εf) transition, the transition probability for which outweighs that for the Br(3d 10 ) →Br(3d 9 εf) excitation. In addition to the huge resonance, discrete resonances owing to the Br(3d) -1 IBr(4pσ + ) and the Br(3d -1 )Br(5p) transitions, with very weak intensities, are observed at 70.5 and 73.6 eV and have spin-orbit splittings of = 1.0 and = 0.9 eV, respectively. The dissociation processes of singly and doubly charged parent ions have also been evaluated from the variations of the individual ion and photoion-photoion coincidence (PIPICO) yields with the photon energy. Below the Br(3d) threshold, including the Br(3d) discrete excitation region, 60 + and I 2+ ions are exclusively formed with a trace number of Br + ions. Slightly above the Br(3d) threshold, more specifically at 77.5 eV, however, photoionization events leading to the formations of Br + and Br 2- prevail. At higher energies beyond the Br(3d) threshold, 78 + and I 2+ turn out to exceed again those for Br + and Br 2+ , respectively. Over the entire energy range examined, a remarkable biased charge spread in dissociative photoionization events is observed, presumably reflecting the fact that charge localized mostly in the excited atoms relevant to the specific inner-shell excitation, which can be accounted for mainly by a two-step decay process via a fast dissociation followed by autoionization upon vuv absorption

  10. 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)

  11. 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)

  12. 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

  13. Modeling nuclear weak-interaction processes with relativistic energy density functionals

    International Nuclear Information System (INIS)

    Paar, N.; Marketin, T.; Vale, D.; Vretenar, D.

    2015-01-01

    Relativistic energy density functionals have become a standard framework for nuclear structure studies of ground state properties and collective excitations over the entire nuclide chart. In this paper, we review recent developments in modeling nuclear weak-interaction processes: Charge-exchange excitations and the role of isoscalar proton–neutron pairing, charged-current neutrino–nucleus reactions relevant for supernova evolution and neutrino detectors and calculation of β-decay rates for r-process nucleosynthesis. (author)

  14. Application of relativistic coupled-cluster theory to electron impact excitation of Mg+ in the plasma environment

    Science.gov (United States)

    Sharma, Lalita; Sahoo, Bijaya Kumar; Malkar, Pooja; Srivastava, Rajesh

    2018-01-01

    A relativistic coupled-cluster theory is implemented to study electron impact excitations of atomic species. As a test case, the electron impact excitations of the 3 s 2 S 1/2-3 p 2 P 1/2;3/2 resonance transitions are investigated in the singly charged magnesium (Mg+) ion using this theory. Accuracies of wave functions of Mg+ are justified by evaluating its attachment energies of the relevant states and compared with the experimental values. The continuum wave function of the projectile electron are obtained by solving Dirac equations assuming distortion potential as static potential of the ground state of Mg+. Comparison of the calculated electron impact excitation differential and total cross-sections with the available measurements are found to be in very good agreements at various incident electron energies. Further, calculations are carried out in the plasma environment in the Debye-Hückel model framework, which could be useful in the astrophysics. Influence of plasma strength on the cross-sections as well as linear polarization of the photon emission in the 3 p 2 P 3/2-3 s 2 S 1/2 transition is investigated for different incident electron energies.

  15. 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.

  16. 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.

  17. Gross properties of nuclei and nuclear excitations XXI

    International Nuclear Information System (INIS)

    Feldmeier, H.

    1993-01-01

    These proceedings contain the articles and contributed papers presented at the named workshop. They are concerned with highly excited nuclear matter and relativistic heavy ion reactions together with some related topics. See hints under the relevant topics. (HSI)

  18. Effects of an environmentally-relevant mixture of pyrethroid insecticides on spontaneous activity in primary cortical networks on microelectrode arrays.

    Science.gov (United States)

    Johnstone, Andrew F M; Strickland, Jenna D; Crofton, Kevin M; Gennings, Chris; Shafer, Timothy J

    2017-05-01

    Pyrethroid insecticides exert their insecticidal and toxicological effects primarily by disrupting voltage-gated sodium channel (VGSC) function, resulting in altered neuronal excitability. Numerous studies of individual pyrethroids have characterized effects on mammalian VGSC function and neuronal excitability, yet studies examining effects of complex pyrethroid mixtures in mammalian neurons, especially in environmentally relevant mixture ratios, are limited. In the present study, concentration-response functions were characterized for five pyrethroids (permethrin, deltamethrin, cypermethrin, β-cyfluthrin and esfenvalerate) in an in vitro preparation containing cortical neurons and glia. As a metric of neuronal network activity, spontaneous mean network firing rates (MFR) were measured using microelectorde arrays (MEAs). In addition, the effect of a complex and exposure relevant mixture of the five pyrethroids (containing 52% permethrin, 28.8% cypermethrin, 12.9% β-cyfluthrin, 3.4% deltamethrin and 2.7% esfenvalerate) was also measured. Data were modeled to determine whether effects of the pyrethroid mixture were predicted by dose-addition. At concentrations up to 10μM, all compounds except permethrin reduced MFR. Deltamethrin and β-cyfluthrin were the most potent and reduced MFR by as much as 60 and 50%, respectively, while cypermethrin and esfenvalerate were of approximately equal potency and reduced MFR by only ∼20% at the highest concentration. Permethrin caused small (∼24% maximum), concentration-dependent increases in MFR. Effects of the environmentally relevant mixture did not depart from the prediction of dose-addition. These data demonstrate that an environmentally relevant mixture caused dose-additive effects on spontaneous neuronal network activity in vitro, and is consistent with other in vitro and in vivo assessments of pyrethroid mixtures. Published by Elsevier B.V.

  19. 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

  20. 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.

  1. Large-Scale Quantum Many-Body Perturbation on Spin and Charge Separation in the Excited States of the Synthesized Donor-Acceptor Hybrid PBI-Macrocycle Complex.

    Science.gov (United States)

    Ziaei, Vafa; Bredow, Thomas

    2017-03-17

    The reliable calculation of the excited states of charge-transfer (CT) compounds poses a major challenge to the ab initio community because the frequently employed method, time-dependent density functional theory (TD-DFT), massively relies on the underlying density functional, resulting in heavily Hartree-Fock (HF) exchange-dependent excited-state energies. By applying the highly sophisticated many-body perturbation approach, we address the encountered unreliabilities and inconsistencies of not optimally tuned (standard) TD-DFT regarding photo-excited CT phenomena, and present results concerning accurate vertical transition energies and the correct energetic ordering of the CT and the first visible singlet state of a recently synthesized thermodynamically stable large hybrid perylene bisimide-macrocycle complex. This is a large-scale application of the quantum many-body perturbation approach to a chemically relevant CT system, demonstrating the system-size independence of the quality of the many-body-based excitation energies. Furthermore, an optimal tuning of the ωB97X hybrid functional can well reproduce the many-body results, making TD-DFT a suitable choice but at the expense of introducing a range-separation parameter, which needs to be optimally tuned. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. 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.

  3. Identifying and exploiting trait-relevant tissues with multiple functional annotations in genome-wide association studies

    Science.gov (United States)

    Zhang, Shujun

    2018-01-01

    Genome-wide association studies (GWASs) have identified many disease associated loci, the majority of which have unknown biological functions. Understanding the mechanism underlying trait associations requires identifying trait-relevant tissues and investigating associations in a trait-specific fashion. Here, we extend the widely used linear mixed model to incorporate multiple SNP functional annotations from omics studies with GWAS summary statistics to facilitate the identification of trait-relevant tissues, with which to further construct powerful association tests. Specifically, we rely on a generalized estimating equation based algorithm for parameter inference, a mixture modeling framework for trait-tissue relevance classification, and a weighted sequence kernel association test constructed based on the identified trait-relevant tissues for powerful association analysis. We refer to our analytic procedure as the Scalable Multiple Annotation integration for trait-Relevant Tissue identification and usage (SMART). With extensive simulations, we show how our method can make use of multiple complementary annotations to improve the accuracy for identifying trait-relevant tissues. In addition, our procedure allows us to make use of the inferred trait-relevant tissues, for the first time, to construct more powerful SNP set tests. We apply our method for an in-depth analysis of 43 traits from 28 GWASs using tissue-specific annotations in 105 tissues derived from ENCODE and Roadmap. Our results reveal new trait-tissue relevance, pinpoint important annotations that are informative of trait-tissue relationship, and illustrate how we can use the inferred trait-relevant tissues to construct more powerful association tests in the Wellcome trust case control consortium study. PMID:29377896

  4. Identifying and exploiting trait-relevant tissues with multiple functional annotations in genome-wide association studies.

    Directory of Open Access Journals (Sweden)

    Xingjie Hao

    2018-01-01

    Full Text Available Genome-wide association studies (GWASs have identified many disease associated loci, the majority of which have unknown biological functions. Understanding the mechanism underlying trait associations requires identifying trait-relevant tissues and investigating associations in a trait-specific fashion. Here, we extend the widely used linear mixed model to incorporate multiple SNP functional annotations from omics studies with GWAS summary statistics to facilitate the identification of trait-relevant tissues, with which to further construct powerful association tests. Specifically, we rely on a generalized estimating equation based algorithm for parameter inference, a mixture modeling framework for trait-tissue relevance classification, and a weighted sequence kernel association test constructed based on the identified trait-relevant tissues for powerful association analysis. We refer to our analytic procedure as the Scalable Multiple Annotation integration for trait-Relevant Tissue identification and usage (SMART. With extensive simulations, we show how our method can make use of multiple complementary annotations to improve the accuracy for identifying trait-relevant tissues. In addition, our procedure allows us to make use of the inferred trait-relevant tissues, for the first time, to construct more powerful SNP set tests. We apply our method for an in-depth analysis of 43 traits from 28 GWASs using tissue-specific annotations in 105 tissues derived from ENCODE and Roadmap. Our results reveal new trait-tissue relevance, pinpoint important annotations that are informative of trait-tissue relationship, and illustrate how we can use the inferred trait-relevant tissues to construct more powerful association tests in the Wellcome trust case control consortium study.

  5. 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

  6. The functional relevance of polyploidization in the skin.

    Science.gov (United States)

    Trakala, Marianna; Malumbres, Marcos

    2014-02-01

    Cell proliferation and differentiation are tightly coupled through the regulation of the cell division cycle. To preserve specific functional properties in differentiated cells, distinct variants of the basic mitotic cell cycle are used in various mammalian tissues, leading to the formation of polyploid cells. In this issue of Experimental Dermatology, Gandarillas and Freije discuss the evidences for polyploidization in keratinocytes, a process whose physiological relevance is now becoming evident. A better evaluation of these unconventional cell cycles is required not only to improve our understanding of the development and structure of the epidermis but also for future therapies against skin diseases. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  7. 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

  8. The brain's default network: anatomy, function, and relevance to disease.

    Science.gov (United States)

    Buckner, Randy L; Andrews-Hanna, Jessica R; Schacter, Daniel L

    2008-03-01

    Thirty years of brain imaging research has converged to define the brain's default network-a novel and only recently appreciated brain system that participates in internal modes of cognition. Here we synthesize past observations to provide strong evidence that the default network is a specific, anatomically defined brain system preferentially active when individuals are not focused on the external environment. Analysis of connectional anatomy in the monkey supports the presence of an interconnected brain system. Providing insight into function, the default network is active when individuals are engaged in internally focused tasks including autobiographical memory retrieval, envisioning the future, and conceiving the perspectives of others. Probing the functional anatomy of the network in detail reveals that it is best understood as multiple interacting subsystems. The medial temporal lobe subsystem provides information from prior experiences in the form of memories and associations that are the building blocks of mental simulation. The medial prefrontal subsystem facilitates the flexible use of this information during the construction of self-relevant mental simulations. These two subsystems converge on important nodes of integration including the posterior cingulate cortex. The implications of these functional and anatomical observations are discussed in relation to possible adaptive roles of the default network for using past experiences to plan for the future, navigate social interactions, and maximize the utility of moments when we are not otherwise engaged by the external world. We conclude by discussing the relevance of the default network for understanding mental disorders including autism, schizophrenia, and Alzheimer's disease.

  9. Characterizing Plasmonic Excitations of Quasi-2D Chains

    Science.gov (United States)

    Townsend, Emily; Bryant, Garnett

    A quantum description of the optical response of nanostructures and other atomic-scale systems is desirable for modeling systems that use plasmons for quantum information transfer, or coherent transport and interference of quantum states, as well as systems small enough for electron tunneling or quantum confinement to affect the electronic states of the system. Such a quantum description is complicated by the fact that collective and single-particle excitations can have similar energies and thus will mix. We seek to better understand the excitations of nanosystems to identify which characteristics of the excitations are most relevant to modeling their behavior. In this work we use a quasi 2-dimensional linear atomic chain as a model system, and exact diagonalization of the many-body Hamiltonian to obtain its excitations. We compare this to previous work in 1-d chains which used a combination of criteria involving a many-body state's transfer dipole moment, balance, transfer charge, dynamical response, and induced-charge distribution to identify which excitations are plasmonic in character.

  10. 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

  11. 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.

  12. 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

  13. 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.

  14. Hilar mossy cell circuitry controlling dentate granule cell excitability

    Directory of Open Access Journals (Sweden)

    Seiichiro eJinde

    2013-02-01

    Full Text Available Glutamatergic hilar mossy cells of the dentate gyrus can either excite or inhibit distant granule cells, depending on whether their direct excitatory projections to granule cells or their projections to local inhibitory interneurons dominate. However, it remains controversial whether the net effect of mossy cell loss is granule cell excitation or inhibition. Clarifying this controversy has particular relevance to temporal lobe epilepsy, which is marked by dentate granule cell hyperexcitability and extensive loss of dentate hilar mossy cells. Two diametrically opposed hypotheses have been advanced to explain this granule cell hyperexcitability – the dormant basket cell and the irritable mossy cell hypotheses. The dormant basket cell hypothesis proposes that mossy cells normally exert a net inhibitory effect on granule cells and therefore their loss causes dentate granule cell hyperexcitability. The irritable mossy cell hypothesis takes the opposite view that mossy cells normally excite granule cells and that the surviving mossy cells in epilepsy increase their activity, causing granule cell excitation. The inability to eliminate mossy cells selectively has made it difficult to test these two opposing hypotheses. To this end, we developed a transgenic toxin-mediated, mossy cell-ablation mouse line. Using these mutants, we demonstrated that the extensive elimination of hilar mossy cells causes granule cell hyperexcitability, although the mossy cell loss observed appeared insufficient to cause clinical epilepsy. In this review, we focus on this topic and also suggest that different interneuron populations may mediate mossy cell-induced translamellar lateral inhibition and intralamellar recurrent inhibition. These unique local circuits in the dentate hilar region may be centrally involved in the functional organization of the dentate gyrus.

  15. 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.

  16. The Quality of Life and relevant Approaches based on Capabilities and Functionalities

    Directory of Open Access Journals (Sweden)

    Matei Șimandan

    2014-12-01

    Full Text Available Recent research regarding the quality of life developed different approaches concerning the use of objective and subjective indicators, as well as the relevance of hypotheses, propositions and methods of analysis or of evaluation. Starting from the conceptual difficulties regarding the term of ‘quality of life’, this article focuses upon the contributions of Amartya Sen on the relationships between resources, liberties, capabilities, functionalities and human development. A separate section attempts to capture the shift of accent from the approaches of a quantitative type towards those of a qualitative type, founded on capabilities, functionalities, and the factors of conversion of resources into elements of quality of subjective life. The following sections are consecrated to the contributions to the development of the model proposed by Amartya Sen and to the reception of this model by a few specialists in the field, as well as to its relevance within scientific research and the foundation of public policies.

  17. Geodesic acoustic modes excited by finite beta drift waves

    DEFF Research Database (Denmark)

    Chakrabarti, Nikhil Kumar; Guzdar, P.N.; Kleva, R.G.

    2008-01-01

    Presented in this paper is a mode-coupling analysis for the nonlinear excitation of the geodesic acoustic modes (GAMs) in tokamak plasmas by finite beta drift waves. The finite beta effects give rise to a strong stabilizing influence on the parametric excitation process. The dominant finite beta...... effect is the combination of the Maxwell stress, which has a tendency to cancel the primary drive from the Reynolds stress, and the finite beta modification of the drift waves. The zonal magnetic field is also excited at the GAM frequency. However, it does not contribute to the overall stability...... of the three-wave process for parameters of relevance to the edge region of tokamaks....

  18. Neutral excitations in the Gaffnian state

    Science.gov (United States)

    Kang, Byungmin; Moore, Joel E.

    2017-06-01

    We study a model fractional quantum Hall (FQH) wave function called the Gaffnian state, which is believed to represent a gapless, strongly correlated state that is very different from conventional metals. To understand this exotic gapless state better, we provide a representation based on work of Halperin in which the pairing structure of the Gaffnian state becomes more explicit. We employ the single-mode approximation introduced by Girvin, MacDonald, and Platzman, here extended to three-body interactions, in order to treat a neutral collective excitation mode in order to clarify the physical origin of the gaplessness of the Gaffnian state. We discuss approaches to extract systematically the relevant physics in the long-distance, large-electron-number limit of FQH states using numerical calculations with relatively few electrons. In Appendices, we provide second-quantized expressions for many-body Haldane pseudopotentials in various geometries including the plane, sphere, cylinder, and torus based on the proper definition of the relative angular momentum.

  19. 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…

  20. Distribution of radiative strength with excitation energy: the E1 and M1 giant resonances

    International Nuclear Information System (INIS)

    Brown, G.E.; Speth, J.

    1979-01-01

    Calculations of the giant dipole resonance in the particle-hole model, employing empirical values for the unperturbed particle and hole energies, have been unsuccessful in pushing the dipole state to a sufficiently high energy. it is argued that unperturbed levels correspondign to an effective mass of m*/m approx. 0.6 to 0.7 should be employed. The couplings of particles and holes to vibrations are the crucial ingredients in these considerations. More generally, it is argued that the effective mass relevant to excitations near the Fermi surface is that corresponding to empirical single-particle levels, m*/m greater than or equal to 1.0. For particle-hole excitations above the Fermi surface, it is a decreasing function of excitation energy, reaching the above values 0.6 to 0.7 for E greater than or equal to 2 dirac constant/b omega, dirac constant/sub omega/ being the shell spacing. This has the consequence of spreading out the M1 strength. A new interpretation of experimental strengths is proposed

  1. Kinetic studies following state-selective laser excitation: Progress report, March 15, 1988--March 14, 1989

    International Nuclear Information System (INIS)

    Keto, J.W.

    1988-11-01

    The objective of this contract is the study of state-to-state, electronic energy transfer reactions following two-photon laser excitation. We have chosen to study reactions of Xe 5p 5 np because of their relevance to the XeCl excimer laser. We are studying deactivation reactions in collisions with heavy atoms such as Ar, Kr, and Xe and reactive collisions with chlorides. The reactants are excited by multiphoton laser absorption. Product channels are observed by their fluorescence, or by laser induced fluorescence using a second color laser. Reaction rates are measured by observing the time dependent decay of signals from reactant and product channels. In addition we measure 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 are obtained in the form of either lineshapes or individual lines from rovibrational transitions of bound states. 11 refs. 4 figs., 3 tabs

  2. 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.

  3. Excitation in the radiation chemistry of inorganic gases

    International Nuclear Information System (INIS)

    Willis, C.; Boyd, A.W.

    1976-01-01

    Gas phase radiation chemistry yield data and electron impact cross-section data are used to derive excitation mechanisms and to discuss the role of excited states in the radiation chemistry of O 2 , N 2 , N 2 O, CO, CO 2 , H 2 S, H 2 O and NH 3 . For each of these systems available cross-sections for ionization and neutral excitation are listed, together with relevant reaction rate data and a summary of the radiation chemistry studies at both high and low dose rates. In general, fairly complete mechanisms are derived and further tested by energy balance calculations. In order to present as complete a picture as possible, a summary of rates and products of ion-neutralization reactions is given at the end of the paper. (author)

  4. Electronic excited states and relaxation dynamics in polymer heterojunction systems

    Science.gov (United States)

    Ramon, John Glenn Santos

    , we examine the effect of the nanoscale interfacial morphology and solvation on the electronic excited states of TFB/F8BT. Here, we employ time-dependent density functional theory (TD-DFT) to investigate the relevant excited states of two stacking configurations. We show that the calculated states agree with the excited states responsible for the experimentally observed emission peaks and that these states are blue shifted relative to those of the isolated chain. Furthermore, slight lateral shifts in the stacking orientation not only shift the excited state energies; more importantly, they alter the nature of these states altogether. Lastly, we see that solvation greatly stabilizes the charge-transfer states.

  5. 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.

  6. 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

  7. 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)

  8. 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.

  9. Assessment of relevant hepatic steatosis in obese adolescents by rapid fat-selective GRE imaging with spatial-spectral excitation: a quantitative comparison with spectroscopic findings

    International Nuclear Information System (INIS)

    Springer, Fabian; Schick, Fritz; Ehehalt, Stefan; Binder, Gerhard; Sommer, Julia; Ballweg, Verena; Machann, Juergen; Claussen, Claus D.

    2011-01-01

    To test the feasibility of fat-selective GRE imaging using a spectral-spatial excitation technique for determination of intrahepatic lipid content (IHL) in obese adolescents. Fat-selective MR imaging (1.5 T) was applied to record a single axial slice through a representative liver region within a single breath-hold. The sequence uses six equidistant slice-selective excitation pulses with binomial amplitude ratios to achieve high selectivity for lipid signals after appropriate shimming. IHL MRI content was quantified using signal intensity of adjacent subcutaneous adipose tissue. As the gold standard for IHL quantification, single-voxel stimulated echo magnetic resonance spectroscopy (MRS) was applied. IHL MRS was quantified using the water peak as a reference. Forty-five MR examinations could be performed, and IHL MRS content ranged from 0.7% to 19.1%. Results from MRS and fat-selective imaging correlated well with Spearman coefficients between r = 0.78 and r = 0.86. There were no relevant regional differences in IHL within the liver parenchyma (p > 0.6359). Fat-selective imaging was able to reliably identify patients with IHL content above 5% with positive/negative likelihood ratio of 11.8 and 0.05, respectively. Fat-selective MR imaging provides both a reliable and a convenient method of rapidly quantifying IHL content in obese adolescents. (orig.)

  10. 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)

  11. 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)

  12. 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

  13. Chaotic wave trains in an oscillatory/excitable medium

    International Nuclear Information System (INIS)

    Rabinovitch, A.; Gutman, M.; Biton, Y.; Aviram, I.

    2006-01-01

    We study the chaotic dynamics of a heterogeneous reaction-diffusion medium composed of two uniform regions: one oscillatory, and the other excitable. It is shown that, by altering the diffusion coefficient, local chaotic oscillations can be induced at the interface between regions, which in turn, generate different chaotic sequences of pulses traveling in the excitable region. We analyze the properties of the local chaotic driver, as well as the diffusion-induced transitions. A procedure based on the abnormal frequency-locking phenomenon is proposed for controlling such sequences. Relevance of the obtained results to cardiac dynamics is briefly discussed

  14. 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.)

  15. 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

  16. 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

  17. 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

  18. 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.

  19. Compositional trends and magnetic excitations in binary and ternary Fe–Pd–X magnetic shape memory alloys

    International Nuclear Information System (INIS)

    Gruner, Markus Ernst; Hamann, Sven; Brunken, Hayo; Ludwig, Alfred; Entel, Peter

    2013-01-01

    Highlights: ► We discuss compositional trends in Fe–Pd–Cu and Fe–Pd–Mn magnetic shape memory alloys. ► We combine density functional theory and combinatorial thin film experiments. ► Magnetic excitations contribute decisively to the structural transformation behavior. -- Abstract: High throughput thin film experiments and first-principles calculations are combined in order to get insight into the relation between finite temperature transformation behavior and structural ground state properties of ternary Fe–Pd–X alloys. In particular, we consider the binding surface, i.e., the energy of the disordered alloy calculated along the Bain path between bcc and fcc which we model by a 108 atom supercell. We compare stoichiometric Fe 75 Pd 25 with ternary systems, where 4.6% of the Fe atoms were substituted by Cu and Mn, respectively. The computational trends are related to combinatorial experiments on thin film libraries for the systems Fe–Pd–Mn and Fe–Pd–Cu which reveal a systematic evolution of the martensitic start temperature with composition within the relevant concentration range for magnetic shape memory (MSM) applications. Our calculations include atomic relaxations, which were shown to be relevant for a correct description of the structural properties. Furthermore, we find that magnetic excitations can substantially alter the binding surface. The comparison of experimental and theoretical trends indicates that, both, compositional changes and magnetic excitations contribute significantly to the structural stability which may thus be tailored by specifically adding antiferromagnetic components

  20. Excitation function of (p,α) nuclear reaction on enriched {sup 67}Zn. Possibility of production of {sup 64}Cu at low energy cyclotron

    Energy Technology Data Exchange (ETDEWEB)

    Szelecsenyi, Ferenc; Kovacs, Zoltan [Hungarian Academy of Sciences, Debrecen (Hungary). Cyclotron Application Dept.; Nagatsu, Kotaro; Zhang, Ming-Rong; Suzuki, Kazutosi [National Institute of Radiological Sciences, Chiba (Japan). Molecular Imaging Center

    2014-09-01

    The potential for production of the medically relevant {sup 64}Cu has been investigated by proton irradiation of highly enriched {sup 67}Zn targets. The excitation function of the {sup 67}Zn(p,α){sup 64}Cu a nuclear reaction was measured by the stacked-foil technique up to 30 MeV. The prediction of the TALYS code was also compared to the measured cross section results. Based on the improved database of the {sup 67}Zn(p,α){sup 64}Cu reaction, thick target yield as a function of energy was also deduced. Production possibility of {sup 64}Cu is discussed in detail, employing different energy proton beams and with regards to the {sup 61}Cu and {sup 67}Cu contamination levels as a function of the target enrichment level. By using 1 μA beam intensity, 6.3505 h irradiation time and enriched {sup 67}Zn target ({sup 64}Zn ≤ 0.5%, {sup 66}Zn ≤ 9%, {sup 67}Zn ≥ 80%, {sup 68}Zn ≤ 10% and {sup 70}Zn ≤ 0.5%), the expected EOB (End Of bombardment) yields are 43.66, 88.80 and 156.14MBq/μA at 12, 15 and 18 MeV proton energies, respectively. Application time-frames were also deduced where the total radio-copper contamination level remains below 1%. (orig.)

  1. 201Hg excitation in plasma produced by laser

    International Nuclear Information System (INIS)

    Comet, Maxime

    2014-01-01

    The use of high power lasers allows the study of the properties of matter in extreme conditions of temperature and density. Indeed, the interaction of a power laser and a target creates a plasma in which the temperature is high enough to reach important degrees of ionization. These conditions can allow the excitation of the nucleus. A nucleus of interest to study the processes of nuclear excitation is the 201 Hg. This work aims to design an experiment where the 201 Hg excitation will be observed in a plasma produced by a high power laser. The first part of this manuscript presents the calculation of the expected nuclear excitation rates in the plasma. For about ten years, nuclear excitation rates have been calculated using the average atom model. To validate this model a code named ADAM (French acronym for Beyond The Average Atom Model) was developed to calculate the nuclear excitation rates under the DCA (Detailed Configuration Accounting) hypothesis. ADAM allows us to deduce the thermo dynamical domain where the nuclear excitation rates determined with the average atom model are relevant. The second part of this manuscript presents the coupling of the excitation rate calculation with a hydrodynamic code to calculate the number of excited nuclei produced in one laser shot for different laser intensity. Finally, in the last part, first experimental approaches which will be used to design an experiment on a laser installation are presented. These approaches are based on the detection and determination of the amount of multicharged ions obtained far from the target (∼80 cm). For this purpose, an electrostatic analyzer was used. (author) [fr

  2. 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

  3. 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.)

  4. Single photon infrared emission spectroscopy: a study of IR emission from UV laser excited PAHs between 3 and 15 micrometers

    Science.gov (United States)

    Cook, D. J.; Schlemmer, S.; Balucani, N.; Wagner, D. R.; Harrison, J. A.; Steiner, B.; Saykally, R. J.

    1998-01-01

    Single-photon infrared emission spectroscopy (SPIRES) has been used to measure emission spectra from polycyclic aromatic hydrocarbons (PAHs). A supersonic free-jet expansion has been used to provide emission spectra of rotationally cold and vibrationally excited naphthalene and benzene. Under these conditions, the observed width of the 3.3-micrometers (C-H stretch) band resembles the bandwidths observed in experiments in which emission is observed from naphthalene with higher rotational energy. To obtain complete coverage of IR wavelengths relevant to the unidentified infrared bands (UIRs), UV laser-induced desorption was used to generate gas-phase highly excited PAHs. Lorentzian band shapes were convoluted with the monochromator-slit function in order to determine the widths of PAH emission bands under astrophysically relevant conditions. Bandwidths were also extracted from bands consisting of multiple normal modes blended together. These parameters are grouped according to the functional groups mostly involved in the vibration, and mean bandwidths are obtained. These bandwidths are larger than the widths of the corresponding UIR bands. However, when the comparison is limited to the largest PAHs studied, the bandwidths are slightly smaller than the corresponding UIR bands. These parameters can be used to model emission spectra from PAH cations and cations of larger PAHs, which are better candidate carriers of the UIRs.

  5. The triplet excited state of bilirubin

    International Nuclear Information System (INIS)

    Land, E.J.

    1976-01-01

    Pulse radiolysis of benzene solutions of 40 μM bilirubin alone or with 0.1 M biphenyl has yielded evidence for the formation of the triplet excited state of bilirubin. Measurements were made of a number of properties, including the absorption spectrum (lambdasub(max)500nm), lifetime 9μs), extinction coefficient (8800 M -1 cm -1 ), energy level (approximately 150 kJ mol -1 ) and the rate of quenching by oxygen (rate constant, 8.2 x 10 8 M -1 s -1 ). An upper limit of 0.1 has also been obtained for the singlet to triplet crossover efficiency of bilirubin following excitation by 353 nm radiation. Consideration is given to the relevance of these data to the mechanism of bilirubin photo-destruction, both in vivo and in vitro. (U.K.)

  6. 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

  7. Use of a 3-MV proton accelerator for study of noble gases, including laser ionization of excited states

    International Nuclear Information System (INIS)

    Hurst, G.S.; Judish, J.P.; Nayfeh, M.H.; Parks, J.E.; Payne, M.G.; Wagner, E.B.

    1974-01-01

    The use of a pulsed 3-MV accelerator to study energy pathways in the noble gases is described. The objectives of pathways research are to obtain (1) information on the spectrum of excited states produced by a charged particle in a noble gas, (2) the rate of decay of the various states through various channels as a function of gas pressure, and (3) the modification of the decay channels due to the introduction of foreign species. A new energy pathways model is presented for helium as a general illustration. A method for the study of excited states, using a laser ionization technique is reported. Use is made of a laser which is tuned to a resonance transition between the desired excited state and some higher excited state. Photons in the same pulse photoionize the higher excited state; thus the ionization current vs photon wavelength has a resonance structure. Absolute yields of selected excited states can be obtained whenever the photon fluence per pulse is large enough to saturate the ionization current. A general summary is given of experimental facilities which include a 3-MV Van de Graaff accelerator, electronics for measuring radiation lifetimes, vacuum ultraviolet spectrometers, and a pulsed laser facility for direct study of excited states. Finally, the relevance of pathways research to (1) the interaction of radiation with matter, (2) the development of gas lasers, and (3) methods of ultrasensitive elemental analysis is pointed out

  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. Assessment of relevant hepatic steatosis in obese adolescents by rapid fat-selective GRE imaging with spatial-spectral excitation: a quantitative comparison with spectroscopic findings

    Energy Technology Data Exchange (ETDEWEB)

    Springer, Fabian; Schick, Fritz [University Hospital Tuebingen, Section on Experimental Radiology, Department of Diagnostic and Interventional Radiology, Tuebingen (Germany); University Hospital Tuebingen, Department of Diagnostic and Interventional Radiology, Tuebingen (Germany); Ehehalt, Stefan; Binder, Gerhard [University Children' s Hospital Tuebingen, Paediatric Endocrinology and Diabetes, Tuebingen (Germany); Sommer, Julia; Ballweg, Verena; Machann, Juergen [University Hospital Tuebingen, Section on Experimental Radiology, Department of Diagnostic and Interventional Radiology, Tuebingen (Germany); Claussen, Claus D. [University Hospital Tuebingen, Department of Diagnostic and Interventional Radiology, Tuebingen (Germany)

    2011-04-15

    To test the feasibility of fat-selective GRE imaging using a spectral-spatial excitation technique for determination of intrahepatic lipid content (IHL) in obese adolescents. Fat-selective MR imaging (1.5 T) was applied to record a single axial slice through a representative liver region within a single breath-hold. The sequence uses six equidistant slice-selective excitation pulses with binomial amplitude ratios to achieve high selectivity for lipid signals after appropriate shimming. IHL{sub MRI} content was quantified using signal intensity of adjacent subcutaneous adipose tissue. As the gold standard for IHL quantification, single-voxel stimulated echo magnetic resonance spectroscopy (MRS) was applied. IHL{sub MRS} was quantified using the water peak as a reference. Forty-five MR examinations could be performed, and IHL{sub MRS} content ranged from 0.7% to 19.1%. Results from MRS and fat-selective imaging correlated well with Spearman coefficients between r = 0.78 and r = 0.86. There were no relevant regional differences in IHL within the liver parenchyma (p > 0.6359). Fat-selective imaging was able to reliably identify patients with IHL content above 5% with positive/negative likelihood ratio of 11.8 and 0.05, respectively. Fat-selective MR imaging provides both a reliable and a convenient method of rapidly quantifying IHL content in obese adolescents. (orig.)

  10. 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)

  11. 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.)

  12. 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

  13. Excited-state dynamics of acetylene excited to individual rotational level of the V04K01 subband

    Science.gov (United States)

    Makarov, Vladimir I.; Kochubei, Sergei A.; Khmelinskii, Igor V.

    2006-01-01

    Dynamics of the IR emission induced by excitation of the acetylene molecule using the (32Ka0,1,2,ÃAu1←41la1,X˜Σg+1) transition was investigated. The observed IR emission was assigned to transitions between the ground-state vibrational levels. Acetylene fluorescence quenching induced by external electric and magnetic fields acting upon the system prepared using the (34Ka1,ÃAu1←00la0,X˜Σg+1) excitation was also studied. External electric field creates an additional radiationless pathway to the ground-state levels, coupling levels of the ÃAu1 excited state to the quasiresonant levels of the X˜Σg+1 ground state. The level density of the ground state in the vicinity of the excited state is very high, thus the electric-field-induced transition is irreversible, with the rate constant described by the Fermi rule. Magnetic field alters the decay profile without changing the fluorescence quantum yield in collisionless conditions. IR emission from the CCH transient was detected, and was also affected by the external electric and magnetic fields. Acetylene predissociation was demonstrated to proceed by the direct S1→S0 mechanism. The results were explained using the previously developed theoretical approach, yielding values of the relevant model parameters.

  14. 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...

  15. 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)

  16. The challenge of preoperative quantification of functional tricuspid regurgitation and of right ventricle function: what information is clinically relevant?

    Science.gov (United States)

    Hahn, Rebecca T

    2017-10-01

    Functional or secondary tricuspid regurgitation (TR) is the most common etiology of severe TR in the western world. The presence of functional TR, either isolated or in combination with left heart disease is associated with unfavorable natural history however surgical mortality for isolated tricuspid valve interventions remain higher than for any other single valve surgery. Determining the severity of TR remains a controversial area and will continue to evolve as new techniques for assessing this valve as well as the right ventricle, are investigated. The following review will describe tricuspid anatomy, define echocardiographic views for evaluating tricuspid valve and right heart morphology and function, that are relevant to the pre-procedural assessment of functional TR.

  17. 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

  18. 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.

  19. 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.)

  20. 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.)

  1. 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

  2. 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

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. Studies of isovector excitations in nuclei by neutron-induced reactions

    International Nuclear Information System (INIS)

    Nilsson, L.

    1987-01-01

    In this paper isovector excitations in nuclei, in particular the giant isovector quadrupole resonance in spherical nuclei, will be discussed. Several methods to investigate this excitation have been used, e.g. inelastic electron scattering and charge-exchange reactions. An alternative method to study isovector E2 resonances in nuclei, based on the radiative capture of fast neutrons, will be presented. Results from such experiments performed at the tandem accelerator laboratories in Los Alamos and Uppsala will be presented and discussed in terms of the direct-semidirect capture model. As a separate issue, the preparations being undertaken at Uppsala for studies of isovector excitations in nuclei by means of the (n,p) reaction will be described. A schematic lay-out of the experiment will be presented together with some relevant neutron beam parameters. Among isovector excitations to be studied by this method are the isovector monopole resonance and the Gamow-Teller resonance. 54 references, 6 figures, 1 table

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. A functionally relevant tool for the body following spinal cord injury.

    Directory of Open Access Journals (Sweden)

    Mariella Pazzaglia

    Full Text Available A tool such as a prosthetic device that extends or restores movement may become part of the identity of the person to whom it belongs. For example, some individuals with spinal cord injury (SCI adapt their body and action representation to incorporate their wheelchairs. However, it remains unclear whether the bodily assimilation of a relevant external tool develops as a consequence of altered sensory and motor inputs from the body or of prolonged confinement sitting or lying in the wheelchair. To explore such relationships, we used a principal component analysis (PCA on collected structured reports detailing introspective experiences of wheelchair use in 55 wheelchair-bound individuals with SCI. Among all patients, the regular use of a wheelchair induced the perception that the body's edges are not fixed, but are instead plastic and flexible to include the wheelchair. The PCA revealed the presence of three major components. In particular, the functional aspect of the sense of embodiment concerning the wheelchair appeared to be modulated by disconnected body segments. Neither an effect of time since injury nor an effect of exposure to/experience of was detected. Patients with lesions in the lower spinal cord and with loss of movement and sensation in the legs but who retained upper body movement showed a higher degree of functional embodiment than those with lesions in the upper spinal cord and impairment in the entire body. In essence, the tool did not become an extension of the immobile limbs; rather, it became an actual tangible substitution of the functionality of the affected body part. These findings suggest that the brain can incorporate relevant artificial tools into the body schema via the natural process of continuously updating bodily signals. The ability to embody new essential objects extends the potentiality of physically impaired persons and can be used for their rehabilitation.

  13. 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

  14. 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

  15. Functional relevance for associations between genetic variants and systemic lupus erythematosus.

    Directory of Open Access Journals (Sweden)

    Fei-Yan Deng

    Full Text Available Systemic lupus erythematosus (SLE is a serious prototype autoimmune disease characterized by chronic inflammation, auto-antibody production and multi-organ damage. Recent association studies have identified a long list of loci that were associated with SLE with relatively high statistical power. However, most of them only established the statistical associations of genetic markers and SLE at the DNA level without supporting evidence of functional relevance. Here, using publically available datasets, we performed integrative analyses (gene relationship across implicated loci analysis, differential gene expression analysis and functional annotation clustering analysis and combined with expression quantitative trait loci (eQTLs results to dissect functional mechanisms underlying the associations for SLE. We found that 14 SNPs, which were significantly associated with SLE in previous studies, have cis-regulation effects on four eQTL genes (HLA-DQA1, HLA-DQB1, HLA-DQB2, and IRF5 that were also differentially expressed in SLE-related cell groups. The functional evidence, taken together, suggested the functional mechanisms underlying the associations of 14 SNPs and SLE. The study may serve as an example of mining publically available datasets and results in validation of significant disease-association results. Utilization of public data resources for integrative analyses may provide novel insights into the molecular genetic mechanisms underlying human diseases.

  16. 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

  17. Thin-target excitation functions: a powerful tool for optimizing yield, radionuclidic purity and specific activity of cyclotron produced radionuclides

    International Nuclear Information System (INIS)

    Bonardi, M.L.

    2002-01-01

    loci of the maxima of Y(E,ΔE) curves are present in most cases. As a relevant conclusion, use of target thickness larger than the 'effective' value, is unsuitable from technological point of view, due to larger power density deposited by the beam in target material itself, instead of target cooling system. Finally, this set of Thick-Target Yields and maxima permits calculating the optimum irradiation conditions to produce radionuclides with higher as possible yield, radionuclidic purity and specific activity. In order to join the advantages of the accurate knowledge of thin-target excitation functions and cross-sections of radionuclide of interest and its radioisotopic impurities, very selective radiochemical separations were optimized to separate the radionuclide itself from the irradiated target without any addition of isotopic carrier. A large number of very high specific activity radionuclides for environmental, toxicological and biomedical research applications have been produced in No Carrier Added form, by medium energy proton, deuteron and alpha accelerating cyclotrons. Some practical examples of radionuclides produced recently are presented. (author)

  18. 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.

  19. 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

  20. Electronically excited states of vitamin B12 and methylcobalamin: theoretical analysis of absorption, CD, and MCD data.

    Science.gov (United States)

    Solheim, Harald; Kornobis, Karina; Ruud, Kenneth; Kozlowski, Pawel M

    2011-02-03

    Linear and quadratic response time-dependent density functional theory (TD-DFT) has been applied to investigate absorption (Abs), circular dichroism (CD), and magnetic CD (MCD) spectra of cyanocobalamin (CNCbl) and methylcobalamin (MeCbl). Although electronically excited states of both cobalamins have been probed by applying different experimental techniques, their exact nature remains poorly understood from an electronic structure point of view. Recent theoretical studies have revealed a lot of relevant information about their properties but also left some unresolved issues related to the nature of individual transitions. In this contribution, not only Abs but also CD and MCD spectra of both cobalamins were computed for direct comparison with experiment. The results were evaluated with respect to the choice of exchange-correlation functional, basis set, and the environment (gas phase or solvent) used in the calculation. Taking into account the complexity of the CNCbl and MeCbl systems, reliable agreement between theory and experiment was achieved based on calculations employing the BP86 functional, particularly for the low-energy α/β bands. This spectral range has been traditionally interpreted as a vibrational progression associated with a single electronic excitation, but according to the present analysis for both cobalamins, these bands are best interpreted as consisting of multiple electronic transitions.

  1. 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.

  2. 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.

  3. 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).

  4. Are Covert Saccade Functionally Relevant in Vestibular Hypofunction?

    Science.gov (United States)

    Hermann, R; Pelisson, D; Dumas, O; Urquizar, Ch; Truy, E; Tilikete, C

    2018-06-01

    The vestibulo-ocular reflex maintains gaze stabilization during angular or linear head accelerations, allowing adequate dynamic visual acuity. In case of bilateral vestibular hypofunction, patients use saccades to compensate for the reduced vestibulo-ocular reflex function, with covert saccades occurring even during the head displacement. In this study, we questioned whether covert saccades help maintain dynamic visual acuity, and evaluated which characteristic of these saccades are the most relevant to improve visual function. We prospectively included 18 patients with chronic bilateral vestibular hypofunction. Subjects underwent evaluation of dynamic visual acuity in the horizontal plane as well as video recording of their head and eye positions during horizontal head impulse tests in both directions (36 ears tested). Frequency, latency, consistency of covert saccade initiation, and gain of covert saccades as well as residual vestibulo-ocular reflex gain were calculated. We found no correlation between residual vestibulo-ocular reflex gain and dynamic visual acuity. Dynamic visual acuity performance was however positively correlated with the frequency and gain of covert saccades and negatively correlated with covert saccade latency. There was no correlation between consistency of covert saccade initiation and dynamic visual acuity. Even though gaze stabilization in space during covert saccades might be of very short duration, these refixation saccades seem to improve vision in patients with bilateral vestibular hypofunction during angular head impulses. These findings emphasize the need for specific rehabilitation technics that favor the triggering of covert saccades. The physiological origin of covert saccades is discussed.

  5. 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

  6. 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)

  7. 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.

  8. Kinetic studies following state-selective laser excitation: Annual performance report for the period March 15, 1987-March 14, 1988

    International Nuclear Information System (INIS)

    Keto, J.W.

    1987-11-01

    The objective of this contract is the study of state-to-state, electronic energy transfer reactions following two-photon laser excitation. We have specifically been studying reactions of Xe 5p 5 6p because of their relevance to the XeCl excimer laser. We are studying deactivation reactions in collisions with heavy atoms such as Ar, Kr, and Xe and reactive collisions with chlorides. The reactants are excited by multiphoton laser absorption. Product channels are observed by their fluorescence, or in experiments in the coming months by laser induced fluorescence using a second color laser. Reaction rates are measured by observing the time dependent decay of signals from reactant and product channels. In addition we measure 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 are obtained in the form of either lineshapes or individual lines from rovibrational transitions of bound states. 4 figs

  9. 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

  10. 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

  11. Tonically Active α5GABAA Receptors Reduce Motoneuron Excitability and Decrease the Monosynaptic Reflex

    Directory of Open Access Journals (Sweden)

    Martha Canto-Bustos

    2017-09-01

    Full Text Available Motoneurons, the final common path of the Central Nervous System (CNS, are under a complex control of its excitability in order to precisely translate the interneuronal pattern of activity into skeletal muscle contraction and relaxation. To fulfill this relevant function, motoneurons are provided with a vast repertoire of receptors and channels, including the extrasynaptic GABAA receptors which have been poorly investigated. Here, we confirmed that extrasynaptic α5 subunit-containing GABAA receptors localize with choline acetyltransferase (ChAT positive cells, suggesting that these receptors are expressed in turtle motoneurons as previously reported in rodents. In these cells, α5GABAA receptors are activated by ambient GABA, producing a tonic shunt that reduces motoneurons’ membrane resistance and affects their action potential firing properties. In addition, α5GABAA receptors shunted the synaptic excitatory inputs depressing the monosynaptic reflex (MSR induced by activation of primary afferents. Therefore, our results suggest that α5GABAA receptors may play a relevant physiological role in motor control.

  12. 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...

  13. 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

  14. 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...

  15. 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.

  16. 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...

  17. 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)

  18. 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)

  19. Identification of aspects of functioning, disability and health relevant to patients experiencing vertigo: a qualitative study using the international classification of functioning, disability and health

    Science.gov (United States)

    2012-01-01

    Purpose Aims of this study were to identify aspects of functioning and health relevant to patients with vertigo expressed by ICF categories and to explore the potential of the ICF to describe the patient perspective in vertigo. Methods We conducted a series of qualitative semi-structured face-to-face interviews using a descriptive approach. Data was analyzed using the meaning condensation procedure and then linked to categories of the International Classification of Functioning, Disability and Health (ICF). Results From May to July 2010 12 interviews were carried out until saturation was reached. Four hundred and seventy-one single concepts were extracted which were linked to 142 different ICF categories. 40 of those belonged to the component body functions, 62 to the component activity and participation, and 40 to the component environmental factors. Besides the most prominent aspect “dizziness” most participants reported problems within “Emotional functions (b152), problems related to mobility and carrying out the daily routine. Almost all participants reported “Immediate family (e310)” as a relevant modifying environmental factor. Conclusions From the patients’ perspective, vertigo has impact on multifaceted aspects of functioning and disability, mainly body functions and activities and participation. Modifying contextual factors have to be taken into account to cover the complex interaction between the health condition of vertigo on the individuals’ daily life. The results of this study will contribute to developing standards for the measurement of functioning, disability and health relevant for patients suffering from vertigo. PMID:22738067

  20. 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

  1. 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

  2. New bioinformatic tool for quick identification of functionally relevant endogenous retroviral inserts in human genome.

    Science.gov (United States)

    Garazha, Andrew; Ivanova, Alena; Suntsova, Maria; Malakhova, Galina; Roumiantsev, Sergey; Zhavoronkov, Alex; Buzdin, Anton

    2015-01-01

    Endogenous retroviruses (ERVs) and LTR retrotransposons (LRs) occupy ∼8% of human genome. Deep sequencing technologies provide clues to understanding of functional relevance of individual ERVs/LRs by enabling direct identification of transcription factor binding sites (TFBS) and other landmarks of functional genomic elements. Here, we performed the genome-wide identification of human ERVs/LRs containing TFBS according to the ENCODE project. We created the first interactive ERV/LRs database that groups the individual inserts according to their familial nomenclature, number of mapped TFBS and divergence from their consensus sequence. Information on any particular element can be easily extracted by the user. We also created a genome browser tool, which enables quick mapping of any ERV/LR insert according to genomic coordinates, known human genes and TFBS. These tools can be used to easily explore functionally relevant individual ERV/LRs, and for studying their impact on the regulation of human genes. Overall, we identified ∼110,000 ERV/LR genomic elements having TFBS. We propose a hypothesis of "domestication" of ERV/LR TFBS by the genome milieu including subsequent stages of initial epigenetic repression, partial functional release, and further mutation-driven reshaping of TFBS in tight coevolution with the enclosing genomic loci.

  3. 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.

  4. 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...

  5. 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

  6. 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.

  7. 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

  8. New measurements of excitation functions of {sup 186}W(p,x) nuclear reactions up to 65 MeV. Production of a {sup 178}W/{sup 178m}Ta generator

    Energy Technology Data Exchange (ETDEWEB)

    Tárkányi, F.; Ditrói, F.; Takács, S. [Institute of Nuclear Research (ATOMKI), Debrecen (Hungary); Hermanne, A., E-mail: aherman@vub.ac.be [Cyclotron Department, Vrije Universiteit Brussel, (VUB), Brussels (Belgium)

    2017-01-15

    New experimental excitation functions for proton induced reactions on {sup nat}W are presented in the 32–65 MeV energy range. The cross-sections for {sup nat}W(p,xn){sup 186,184m,184g,183,} {sup 182m,182g,181}Re, {sup nat}W(p,x){sup 178}W{sup ,} {sup nat}W(p,x){sup 183,182,} {sup 180m,} {sup 177,176,175}Ta, {sup 175}Hf and {sup 177}Lu were measured via an activation method by using a stacked-foil irradiation technique and high resolution gamma-ray spectroscopy. The results were compared with predicted values obtained with the nuclear reaction code TALYS (results taken from the TENDL 2014 and TENDL 2015 on-line libraries). Production routes of the medically relevant radionuclides {sup 186}Re, the {sup 178}W → {sup 178}Ta generator and {sup 181}W are discussed.

  9. Electron and molecular ion collisions relevant to divertor plasma

    International Nuclear Information System (INIS)

    Takagi, H.

    2005-01-01

    We introduce the concept of the multi-channel quantum defect theory (MQDT) and show the outline of the MQDT newly extended to include the dissociative states. We investigate some molecular processes relevant to the divertor plasma by using the MQDT: the dissociative recombination, dissociative excitation, and rotation-vibrational transition in the hydrogen molecular ion and electron collisions. (author)

  10. 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.

  11. 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)

  12. 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.)

  13. Non-adiabatic Excited State Molecule Dynamics Modeling of Photochemistry and Photophysics of Materials

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, Tammie Renee [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tretiak, Sergei [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-01-06

    Understanding and controlling excited state dynamics lies at the heart of all our efforts to design photoactive materials with desired functionality. This tailor-design approach has become the standard for many technological applications (e.g., solar energy harvesting) including the design of organic conjugated electronic materials with applications in photovoltaic and light-emitting devices. Over the years, our team has developed efficient LANL-based codes to model the relevant photophysical processes following photoexcitation (spatial energy transfer, excitation localization/delocalization, and/or charge separation). The developed approach allows the non-radiative relaxation to be followed on up to ~10 ps timescales for large realistic molecules (hundreds of atoms in size) in the realistic solvent dielectric environment. The Collective Electronic Oscillator (CEO) code is used to compute electronic excited states, and the Non-adiabatic Excited State Molecular Dynamics (NA-ESMD) code is used to follow the non-adiabatic dynamics on multiple coupled Born-Oppenheimer potential energy surfaces. Our preliminary NA-ESMD simulations have revealed key photoinduced mechanisms controlling competing interactions and relaxation pathways in complex materials, including organic conjugated polymer materials, and have provided a detailed understanding of photochemical products and intermediates and the internal conversion process during the initiation of energetic materials. This project will be using LANL-based CEO and NA-ESMD codes to model nonradiative relaxation in organic and energetic materials. The NA-ESMD and CEO codes belong to a class of electronic structure/quantum chemistry codes that require large memory, “long-queue-few-core” distribution of resources in order to make useful progress. The NA-ESMD simulations are trivially parallelizable requiring ~300 processors for up to one week runtime to reach a meaningful restart point.

  14. 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.

  15. 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)

  16. Zonal flow excitation by Shukla-Varma modes in a nonuniform dusty magnetoplasma

    International Nuclear Information System (INIS)

    Shukla, P.K.; Stenflo, L.

    2002-01-01

    The nonlinear coupling between the Shukla-Varma (SV) modes and the zonal flows in a nonuniform dusty magnetoplasma is considered. By using a two-fluid model and the guiding center particle drifts, a pair of coupled mode equations is obtained. The latter are Fourier analyzed to obtain a nonlinear dispersion relation, which exhibits the excitation of zonal flows by the ponderomotive force of the SV modes. The increment of the parametrically excited zonal flows is presented. The relevance of our investigation to laboratory and space plasmas is discussed

  17. 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

  18. 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

  19. 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.

  20. Enhanced surface functionality via plasma modification and plasma deposition techniques to create more biologically relevant materials

    Science.gov (United States)

    Shearer, Jeffrey C.

    Functionalizing nanoparticles and other unusually shaped substrates to create more biologically relevant materials has become central to a wide range of research programs. One of the primary challenges in this field is creating highly functionalized surfaces without modifying the underlying bulk material. Traditional wet chemistry techniques utilize thin film depositions to functionalize nanomaterials with oxygen and nitrogen containing functional groups, such as --OH and --NHx. These functional groups can serve to create surfaces that are amenable to cell adhesion or can act as reactive groups for further attachment of larger structures, such as macromolecules or antiviral agents. Additional layers, such as SiO2, are often added between the nanomaterial and the functionalized coating to act as a barrier films, adhesion layers, and to increase overall hydrophilicity. However, some wet chemistry techniques can damage the bulk material during processing. This dissertation examines the use of plasma processing as an alternative method for producing these highly functionalized surfaces on nanoparticles and polymeric scaffolds through the use of plasma modification and plasma enhanced chemical vapor deposition techniques. Specifically, this dissertation will focus on (1) plasma deposition of SiO2 barrier films on nanoparticle substrates; (2) surface functionalization of amine and alcohol groups through (a) plasma co-polymerization and (b) plasma modification; and (3) the design and construction of plasma hardware to facilitate plasma processing of nanoparticles and polymeric scaffolds. The body of work presented herein first examines the fabrication of composite nanoparticles by plasma processing. SiOxC y and hexylamine films were coated onto TiO2 nanoparticles to demonstrate enhanced water dispersion properties. Continuous wave and pulsed allyl alcohol plasmas were used to produce highly functionalized Fe2 O3 supported nanoparticles. Specifically, film composition was

  1. Two-particle excitations in the Hubbard model for high-temperature superconductors. A quantum cluster study

    International Nuclear Information System (INIS)

    Brehm, Sascha

    2009-01-01

    Two-particle excitations, such as spin and charge excitations, play a key role in high-T c cuprate superconductors (HTSC). Due to the antiferromagnetism of the parent compound the magnetic excitations are supposed to be directly related to the mechanism of superconductivity. In particular, the so-called resonance mode is a promising candidate for the pairing glue, a bosonic excitation mediating the electronic pairing. In addition, its interactions with itinerant electrons may be responsible for some of the observed properties of HTSC. Hence, getting to the bottom of the resonance mode is crucial for a deeper understanding of the cuprate materials. To analyze the corresponding two-particle correlation functions we develop in the present thesis a new, non-perturbative and parameter-free technique for T=0 which is based on the Variational Cluster Approach (VCA, an embedded cluster method for one-particle Green's functions). Guided by the spirit of the VCA we extract an effective electron-hole vertex from an isolated cluster and use a fully renormalized bubble susceptibility χ 0 including the VCA one-particle propagators. Within our new approach, the magnetic excitations of HTSC are shown to be reproduced for the Hubbard model within the relevant strong-coupling regime. Exceptionally, the famous resonance mode occurring in the underdoped regime within the superconductivity-induced gap of spin-flip electron-hole excitations is obtained. Its intensity and hourglass dispersion are in good overall agreement with experiments. Furthermore, characteristic features such as the position in energy of the resonance mode and the difference of the imaginary part of the susceptibility in the superconducting and the normal states are in accord with Inelastic Neutron Scattering (INS) experiments. For the first time, a strongly-correlated parameter-free calculation revealed these salient magnetic properties supporting the S=1 magnetic exciton scenario for the resonance mode. Besides

  2. Transition rate diagrams - A new approach to the study of selective excitation processes: The spectrum of manganese in a Grimm-type glow discharge

    Science.gov (United States)

    Weiss, Zdeněk; Steers, Edward B. M.; Pickering, Juliet C.; Mushtaq, Sohail

    2014-02-01

    The emission spectra of manganese observed using a Grimm-type glow discharge in pure argon, argon with 0.3% v/v hydrogen and pure neon were studied in order to identify major excitation and ionization processes of manganese in the plasma. A new procedure is proposed, in which each observed emission line is associated with the corresponding transition between different states of the Mn atom or Mn ion, and, by considering all the observed transitions from and into a specific state, a measure of the total rate is determined at which this state is radiatively populated and depopulated. These resulting population/depopulation rates are then plotted as function of level energy. Such plots, called here “transition rate diagrams”, show the role of individual states in the formation of the observed spectrum and can be used to identify possible selective excitation processes. Also, cascade excitation by radiative decay of higher excited states can be conveniently evaluated in this way. A detailed description of the observed Mn I and Mn II spectra is given for Ar, Ar-H2 and Ne plasmas and relevant excitation/ionization mechanisms are discussed. Matrix effects in analysis of manganese by glow discharge spectroscopy are discussed. A list of important Mn I and Mn II lines excited in the glow discharge plasma is given.

  3. 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.

  4. 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)

  5. Excitation-contraction coupling and mechano-sensitivity in denervated skeletal muscles

    Directory of Open Access Journals (Sweden)

    Fabio Francini

    2010-09-01

    Full Text Available Skeletal muscle atrophy can be defined as a wasting or decrease in muscle mass and muscle force generation owing lack of use, ageing, injury or disease. Thus, the etiology of atrophy can be different. Atrophy in denervated muscle is a consequence of two factors: 1 the complete lack of motoneuron activity inducing the deficiency of neurotransmitter release and 2 the muscles disuse. The balance of the muscular functions depends on extra- and intra-muscular signals. In the balance are involved the excitation-contraction coupling (ECC, local growth factors, Ca2+-dependent and independent intracellular signals, mechano-sensitivity and mechano-transduction that activate Ca2+-dependent signaling proteins and cytoskeleton- nucleus pathways to the nucleus, that regulate the gene expression. Moreover, retrograde signal from intracellular compartments and cytoskeleton to the sarcolemma are additional factors that regulate the muscle function. Proteolytic systems that operate in atrophic muscles progressively reduce the muscle protein content and so the sarcolemma, ECC and the force generation. In this review we will focus on the more relevant changes of the sarcolemma, excitation-contraction coupling, ECC and mechano-transduction evaluated by electrophysiological methods and observed from early- to long-term denervated skeletal muscles. This review put in particular evidence that long-term denervated muscle maintain a sub-population of fibers with ECC and contractile machinery able to be activated, albeit in lesser amounts, by electrical and mechanical stimulation. Accordingly, this provides a potential molecular explanation of the muscle recovery that occurs in response to rehabilitation strategy as transcutaneous electrical stimulation and passive stretching of denervated muscles, which wre developed as a result of empirical clinical observations.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. How Body Orientation Affects Concepts of Space, Time and Valence: Functional Relevance of Integrating Sensorimotor Experiences during Word Processing.

    Directory of Open Access Journals (Sweden)

    Martin Lachmair

    Full Text Available The aim of the present study was to test the functional relevance of the spatial concepts UP or DOWN for words that use these concepts either literally (space or metaphorically (time, valence. A functional relevance would imply a symmetrical relationship between the spatial concepts and words related to these concepts, showing that processing words activate the related spatial concepts on one hand, but also that an activation of the concepts will ease the retrieval of a related word on the other. For the latter, the rotation angle of participant's body position was manipulated either to an upright or a head-down tilted body position to activate the related spatial concept. Afterwards participants produced in a within-subject design previously memorized words of the concepts space, time and valence according to the pace of a metronome. All words were related either to the spatial concept UP or DOWN. The results including Bayesian analyses show (1 a significant interaction between body position and words using the concepts UP and DOWN literally, (2 a marginal significant interaction between body position and temporal words and (3 no effect between body position and valence words. However, post-hoc analyses suggest no difference between experiments. Thus, the authors concluded that integrating sensorimotor experiences is indeed of functional relevance for all three concepts of space, time and valence. However, the strength of this functional relevance depends on how close words are linked to mental concepts representing vertical space.

  11. 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

  12. 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.)

  13. 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

  14. 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

  15. An Atlas of Peroxiredoxins Created Using an Active Site Profile-Based Approach to Functionally Relevant Clustering of Proteins.

    Directory of Open Access Journals (Sweden)

    Angela F Harper

    2017-02-01

    Full Text Available Peroxiredoxins (Prxs or Prdxs are a large protein superfamily of antioxidant enzymes that rapidly detoxify damaging peroxides and/or affect signal transduction and, thus, have roles in proliferation, differentiation, and apoptosis. Prx superfamily members are widespread across phylogeny and multiple methods have been developed to classify them. Here we present an updated atlas of the Prx superfamily identified using a novel method called MISST (Multi-level Iterative Sequence Searching Technique. MISST is an iterative search process developed to be both agglomerative, to add sequences containing similar functional site features, and divisive, to split groups when functional site features suggest distinct functionally-relevant clusters. Superfamily members need not be identified initially-MISST begins with a minimal representative set of known structures and searches GenBank iteratively. Further, the method's novelty lies in the manner in which isofunctional groups are selected; rather than use a single or shifting threshold to identify clusters, the groups are deemed isofunctional when they pass a self-identification criterion, such that the group identifies itself and nothing else in a search of GenBank. The method was preliminarily validated on the Prxs, as the Prxs presented challenges of both agglomeration and division. For example, previous sequence analysis clustered the Prx functional families Prx1 and Prx6 into one group. Subsequent expert analysis clearly identified Prx6 as a distinct functionally relevant group. The MISST process distinguishes these two closely related, though functionally distinct, families. Through MISST search iterations, over 38,000 Prx sequences were identified, which the method divided into six isofunctional clusters, consistent with previous expert analysis. The results represent the most complete computational functional analysis of proteins comprising the Prx superfamily. The feasibility of this novel method is

  16. 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.

  17. 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

  18. Dynamics of two-electron excitations in helium

    Energy Technology Data Exchange (ETDEWEB)

    Caldwell, C.D.; Menzel, A.; Frigo, S.P. [Univ. of Central Florida, Orlando, FL (United States)] [and others

    1997-04-01

    Excitation of both electrons in helium offers a unique window for studying electron correlation at the most basic level in an atom in which these two electrons and the nucleus form a three-body system. The authors utilized the first light available at the U-8 undulator-SGM monochromator beamline to investigate the dynamic parameters, partial cross sections, differential cross sections, and photoelectron angular distribution parameters ({beta}), with a high resolving power for the photon beam and at the highly differential level afforded by the use of their electron spectrometer. In parallel, they carried out detailed calculations of the relevant properties by a theoretical approach that is based on the hyperspherical close-coupling method. Partial photoionization cross sections {sigma}{sub n}, and photoelectron angular distributions {beta}{sub n} were measured for all possible final ionic states He{sup +}(n) in the region of the double excitations N(K,T){sup A} up to the N=5 threshold. At a photon energy bandpass of 12 meV below the thresholds N=3, 4, and 5, this level of differentiation offers the most critical assessment of the dynamics of the two-electron excitations to date. The experimental data were seen to be very well described by the most advanced theoretical calculations.

  19. Dynamic coherence in excitonic molecular complexes under various excitation conditions

    Energy Technology Data Exchange (ETDEWEB)

    Chenu, Aurélia; Malý, Pavel; Mančal, Tomáš, E-mail: mancal@karlov.mff.cuni.cz

    2014-08-17

    Highlights: • Dynamic coherence does not improve energy transfer efficiency in natural conditions. • Photo-induced quantum jumps are discussed in classical context. • Natural time scale of a light excitation event is identified. • Coherence in FMO complex averages out under excitation by neighboring antenna. • This result is valid even in absence of dissipation. - Abstract: We investigate the relevance of dynamic quantum coherence in the energy transfer efficiency of molecular aggregates. We derive the time evolution of the density matrix for an open quantum system excited by light or by a neighboring antenna. Unlike in the classical case, the quantum description does not allow for a formal decomposition of the dynamics into sudden jumps in an observable quantity – an expectation value. Rather, there is a natural finite time-scale associated with the excitation process. We propose a simple experiment to test the influence of this time scale on the yield of photosynthesis. We demonstrate, using typical parameters of the Fenna–Matthews–Olson (FMO) complex and a typical energy transfer rate from the chlorosome baseplate, that dynamic coherences are averaged out in the complex even when the FMO model is completely free of all dissipation and dephasing.

  20. 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)

  1. Fatigue crack detection on structural steel members by using ultrasound excited thermography

    Energy Technology Data Exchange (ETDEWEB)

    Plum, Robin Marc

    2015-07-01

    In the field of non-destructive testing (NDT), ultrasound excited thermography has been recognised as a promising technique that was successfully applied to metals, fibre composites and many more engineering materials in order to detect cracks, delaminations and other types of internal flaws. Dating back to the late 1970s, the idea of high-frequency vibration excitation of structural members combined with monitoring the surface temperature by means of infrared thermography aims at the localised energy dissipation at defect regions and its thermal detection. The purpose of this thesis is to investigate the potential use of ultrasound excited thermography for detecting surface breaking fatigue cracks in thick-walled components relevant to steel construction. The presented research is motivated by a lack of fast and imaging crack detection methods in the field and the growing acceptance and technological progress of active thermography techniques. After introducing the concept of ultrasound excited thermography or vibrothermography, its current state of the art is described by means of a comprehensive literature review focusing on research activities towards crack detection on metals. Owing to the interdisciplinarity of the test method, all relevant technical subdisciplines from the excitation of plate vibrations via potential heat generation mechanisms and heat transfer to infrared thermography are outlined. The experimental work starts with the manufacture and fatigue loading of suitable plate specimens made from low-carbon steel S355, mostly in the high cycle fatigue regime, to generate throughthickness cracks with specified depths. Using a modified high-power ultrasonic welding generator, basic dependencies of the defect heating on frequency, coupling location and excitation duration are clarified at first. Besides of an estimation of realistic detection limits depending on the plate thickness, main issues such as the relation between vibration intensity and

  2. Fatigue crack detection on structural steel members by using ultrasound excited thermography

    International Nuclear Information System (INIS)

    Plum, Robin Marc

    2015-01-01

    In the field of non-destructive testing (NDT), ultrasound excited thermography has been recognised as a promising technique that was successfully applied to metals, fibre composites and many more engineering materials in order to detect cracks, delaminations and other types of internal flaws. Dating back to the late 1970s, the idea of high-frequency vibration excitation of structural members combined with monitoring the surface temperature by means of infrared thermography aims at the localised energy dissipation at defect regions and its thermal detection. The purpose of this thesis is to investigate the potential use of ultrasound excited thermography for detecting surface breaking fatigue cracks in thick-walled components relevant to steel construction. The presented research is motivated by a lack of fast and imaging crack detection methods in the field and the growing acceptance and technological progress of active thermography techniques. After introducing the concept of ultrasound excited thermography or vibrothermography, its current state of the art is described by means of a comprehensive literature review focusing on research activities towards crack detection on metals. Owing to the interdisciplinarity of the test method, all relevant technical subdisciplines from the excitation of plate vibrations via potential heat generation mechanisms and heat transfer to infrared thermography are outlined. The experimental work starts with the manufacture and fatigue loading of suitable plate specimens made from low-carbon steel S355, mostly in the high cycle fatigue regime, to generate throughthickness cracks with specified depths. Using a modified high-power ultrasonic welding generator, basic dependencies of the defect heating on frequency, coupling location and excitation duration are clarified at first. Besides of an estimation of realistic detection limits depending on the plate thickness, main issues such as the relation between vibration intensity and

  3. 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...

  4. 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

  5. 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

  6. Amplitude and phase of surface plasmon polaritons excited at a step edge

    DEFF Research Database (Denmark)

    Klick, Alwin; de la Cruz, Sergio; Lemke, Christoph

    2016-01-01

    A combined experimental and theoretical study on the laser-induced excitation of surface plasmon polaritons (SPP) at well-defined step edges of a gold–vacuum interface is presented. As a relevant parameter determining the coupling efficiency between laser field and SPP, we identify the ratio betw...

  7. Atomic excitation and acceleration in strong laser fields

    International Nuclear Information System (INIS)

    Zimmermann, H; Eichmann, U

    2016-01-01

    Atomic excitation in the tunneling regime of a strong-field laser–matter interaction has been recently observed. It is conveniently explained by the concept of frustrated tunneling ionization (FTI), which naturally evolves from the well-established tunneling picture followed by classical dynamics of the electron in the combined laser field and Coulomb field of the ionic core. Important predictions of the FTI model such as the n distribution of Rydberg states after strong-field excitation and the dependence on the laser polarization have been confirmed in experiments. The model also establishes a sound basis to understand strong-field acceleration of neutral atoms in strong laser fields. The experimental observation has become possible recently and initiated a variety of experiments such as atomic acceleration in an intense standing wave and the survival of Rydberg states in strong laser fields. Furthermore, the experimental investigations on strong-field dissociation of molecules, where neutral excited fragments after the Coulomb explosion of simple molecules have been observed, can be explained. In this review, we introduce the subject and give an overview over relevant experiments supplemented by new results. (paper)

  8. 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.

  9. 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.

  10. 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)

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. Canine intrahepatic vasculature: is a functional anatomic model relevant to the dog?

    Science.gov (United States)

    Hall, Jon L; Mannion, Paddy; Ladlow, Jane F

    2015-01-01

    To clarify canine intrahepatic portal and hepatic venous system anatomy using corrosion casting and advanced imaging and to devise a novel functional anatomic model of the canine liver to investigate whether this could help guide the planning and surgical procedure of partial hepatic lobectomy and interventional radiological procedures. Prospective experimental study. Adult Greyhound cadavers (n = 8). Portal and hepatic vein corrosion casts of healthy livers were assessed using computed tomography (CT). The hepatic lobes have a consistent hilar hepatic and portal vein supply with some variation in the number of intrahepatic branches. For all specimens, 3 surgically resectable areas were identified in the left lateral lobe and 2 surgically resectable areas were identified in the right medial lobe as defined by a functional anatomic model. CT of detailed acrylic casts allowed complex intrahepatic vascular relationships to be investigated and compared with previous studies. Improving understanding of the intrahepatic vascular supply facilitates interpretation of advanced images in clinical patients, the planning and performance of surgical procedures, and may facilitate interventional vascular procedures, such as intravenous embolization of portosystemic shunts. Functional division of the canine liver similar to human models is possible. The left lateral and right medial lobes can be consistently divided into surgically resectable functional areas and partial lobectomies can be performed following a functional model; further study in clinically affected animals would be required to investigate the relevance of this functional model in the dog. © Copyright 2014 by The American College of Veterinary Surgeons.

  20. 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.

  1. The Facts About Sexual (Dys)function in Schizophrenia: An Overview of Clinically Relevant Findings

    Science.gov (United States)

    de Boer, Marrit K.; Castelein, Stynke; Wiersma, Durk; Schoevers, Robert A.; Knegtering, Henderikus

    2015-01-01

    A limited number of studies have evaluated sexual functioning in patients with schizophrenia. Most patients show an interest in sex that differs little from the general population. By contrast, psychiatric symptoms, institutionalization, and psychotropic medication contribute to frequently occurring impairments in sexual functioning. Women with schizophrenia have a better social outcome, longer lasting (sexual) relationships, and more offspring than men with schizophrenia. Still, in both sexes social and interpersonal impairments limit the development of stable sexual relationships. Although patients consider sexual problems to be highly relevant, patients and clinicians not easily discuss these spontaneously, leading to an underestimation of their prevalence and contributing to decreased adherence to treatment. Studies using structured interviews or questionnaires result in many more patients reporting sexual dysfunctions. Although sexual functioning can be impaired by different factors, the use of antipsychotic medication seems to be an important factor. A comparison of different antipsychotics showed high frequencies of sexual dysfunction for risperidone and classical antipsychotics, and lower frequencies for clozapine, olanzapine, quetiapine, and aripiprazole. Postsynaptic dopamine antagonism, prolactin elevation, and α1-receptor blockade may be the most relevant factors in the pathogenesis of antipsychotic-induced sexual dysfunction. Psychosocial strategies to treat antipsychotic-induced sexual dysfunction include psychoeducation and relationship counseling. Pharmacological strategies include lowering the dose or switching to a prolactin sparing antipsychotic. Also, the addition of a dopamine agonist, aripiprazole, or a phosphodiesterase-5 inhibitor has shown some promising results, but evidence is currently scarce. PMID:25721311

  2. Which aspects of functioning are relevant for patients with ankylosing spondylitis: results of focus group interviews.

    Science.gov (United States)

    Boonen, Annelies; van Berkel, Monique; Cieza, Alarcos; Stucki, Gerold; van der Heijde, Désirée

    2009-11-01

    To investigate whether concepts important to patients with ankylosing spondylitis (AS) are covered by disease-specific self-report health status instruments. A qualitative focus group study was conducted with AS patients on problems in daily functioning. Group sessions with 4 to 5 patients each were organized up to the point that no new information was brought forward. Group sessions were tape-recorded, transcribed, and divided into meaning units. Concepts contained in the meaning units were extracted. Self-report instruments on health status specific for AS were identified in a literature search. Using the International Classification of Functioning, Disability and Health (ICF) as a common reference, it was determined whether the concepts identified in the focus groups were covered by the instruments. Nineteen patients participated in 4 focus group interviews. In total, 332 unique meaning units were linked to 90 second-level ICF categories, of which 25 referred to body functions, 10 to body structures, 35 to activities and participation and 30 to environmental factors. In addition, several concepts relating to personal factors were identified. Only 47 categories were also covered by one of the self-report instruments in AS. Only a minority of concepts addressed by the AS-specific questionnaires were not revealed as relevant in the interviews. Relevant aspects of the influence of AS are not covered by the classic disease-specific instruments. In particular, the influence of AS on socializing and leisure and the relevance of environmental and personal factors are not adequately assessed by available instruments.

  3. 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.)

  4. 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.

  5. 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

  6. 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.

  7. 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)

  8. Dissociative recombination and electron-impact de-excitation in CH photon emission under ITER divertor-relevant plasma conditions

    NARCIS (Netherlands)

    van Swaaij, G. A.; Bystrov, K.; Borodin, D.; Kirschner, A.; van der Vegt, L. B.; van Rooij, G. J.; De Temmerman, G.; W. J. Goedheer,

    2012-01-01

    For understanding carbon erosion and redeposition in nuclear fusion devices, it is important to understand the transport and chemical break-up of hydrocarbon molecules in edge plasmas, often diagnosed by emission of the CH A(2)Delta-X-2 Pi Gero band around 430 nm. The CH A-level can be excited

  9. 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.

  10. Storage of optical excitations in colloidal semiconductor nanocrystals

    International Nuclear Information System (INIS)

    Kraus, Robert

    2009-01-01

    In the present theis it is described, how colloidal semiconductor nanocrystals can be used under influence of an electric field to store optical excitation energy at room temperature, to alter, and to supply controlledly. For this the photoluminescence emission of an ensemble of heterogeneous nanocrystals was manipulated and spectroscopically studied. The applied od-shaped particles consist of a spherical core of CdSe, on which an elongated shell of CdS is monocrystallinely be grown. The electron is in such an asymmetric geometry delocalized over the hole nanorod, whereas the hole because of the high potential barrier remains bound in the CdSe core. The wave-function overlap of the charge carriers can therefore be influenced both by the length of the nanorod and by an external electric field. In the regime of prompt fluorescence the manipulation of the charge-carrier separation by an electric field led to a suppression of the radiative recombination. As consequence a fluorescence suppression of about 40% could be observed. After the removal of the electric field the separation was reduced and the stored energy is in an fluorescence increasement directedly liberated again. The strength of the storage efficiency lies with the strength of the electric field in a linear connection. Furthermore in this time range a quantum-confined Stark effect of upt o 14 meV could be detected at room temperature, although the effect is complicated by the different orientations and sizes of the nanorods in the ensemble. Hereby it is of advance to can adress with the applied detection technique a subensemble of nanocrystals. Furthermore a significant storage of the ensmble emission by up to 100 μs conditioned by the electric electric fieldcould be demonstrated, which exceeds the fluorescence lifetime of these particles by the 10 5 fold. As also could be shown by experiments on CdSe/ZnS nanocrystals surface states play a relevent role for the emission dynamics of nanocrystals. The

  11. 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

  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. 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.

  14. 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.)

  15. 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

  16. 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

  17. 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.

  18. 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.)

  19. 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.

  20. Neutrophil programming dynamics and its disease relevance.

    Science.gov (United States)

    Ran, Taojing; Geng, Shuo; Li, Liwu

    2017-11-01

    Neutrophils are traditionally considered as first responders to infection and provide antimicrobial host defense. However, recent advances indicate that neutrophils are also critically involved in the modulation of host immune environments by dynamically adopting distinct functional states. Functionally diverse neutrophil subsets are increasingly recognized as critical components mediating host pathophysiology. Despite its emerging significance, molecular mechanisms as well as functional relevance of dynamically programmed neutrophils remain to be better defined. The increasing complexity of neutrophil functions may require integrative studies that address programming dynamics of neutrophils and their pathophysiological relevance. This review aims to provide an update on the emerging topics of neutrophil programming dynamics as well as their functional relevance in diseases.

  1. 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.

  2. 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}

  3. 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...

  4. 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

  5. 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

  6. 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

  7. Radiative and Excited State Charmonium Physics

    Energy Technology Data Exchange (ETDEWEB)

    Jozef Dudek

    2007-07-30

    Renewed interest in the spectroscopy of charmonium has arisen from recent unexpected observations at $e^+e^-$ colliders. Here we report on a series of works from the previous two years examining the radiative physics of charmonium states as well as the mass spectrum of states of higher spin and internal excitation. Using new techniques applied to Domain-Wall and Clover quark actions on quenched isotropic and anisotropic lattices, radiative transitions and two-photon decays are considered for the first time. Comparisons are made with experimental results and with model approaches. Forthcoming application to the light-quark sector of relevance to experiments like Jefferson Lab's GlueX is discussed.

  8. 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

  9. 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.

  10. Transition rate diagrams — A new approach to the study of selective excitation processes: The spectrum of manganese in a Grimm-type glow discharge

    International Nuclear Information System (INIS)

    Weiss, Zdeněk; Steers, Edward B.M.; Pickering, Juliet C.; Mushtaq, Sohail

    2014-01-01

    The emission spectra of manganese observed using a Grimm-type glow discharge in pure argon, argon with 0.3% v/v hydrogen and pure neon were studied in order to identify major excitation and ionization processes of manganese in the plasma. A new procedure is proposed, in which each observed emission line is associated with the corresponding transition between different states of the Mn atom or Mn ion, and, by considering all the observed transitions from and into a specific state, a measure of the total rate is determined at which this state is radiatively populated and depopulated. These resulting population/depopulation rates are then plotted as function of level energy. Such plots, called here “transition rate diagrams”, show the role of individual states in the formation of the observed spectrum and can be used to identify possible selective excitation processes. Also, cascade excitation by radiative decay of higher excited states can be conveniently evaluated in this way. A detailed description of the observed Mn I and Mn II spectra is given for Ar, Ar–H 2 and Ne plasmas and relevant excitation/ionization mechanisms are discussed. Matrix effects in analysis of manganese by glow discharge spectroscopy are discussed. A list of important Mn I and Mn II lines excited in the glow discharge plasma is given. - Highlights: • We measured GD-OES spectra of Mn in Ar, Ar(H) and Ne discharges. • We determined transition rate diagrams of Mn I and Mn II in these discharges. • Using those diagrams, we identified major excitation processes involved

  11. 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.

  12. 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

  13. 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.)

  14. Fast analytic formulas for the modified Bessel functions of imaginary order for spectral line broadening calculations

    International Nuclear Information System (INIS)

    Poquerusse, A.; Alexiou, S.

    1999-01-01

    In this work we review the status of the standard line broadening theory for plasmas and fill in the existing gap, i.e., the partially overlapping case for ions lines, by deriving expressions as well as fast and accurate numerical approximations for the relevant functions, namely the modified Bessel function of imaginary order and its derivative with respect to argument. These functions also arise in the context of the theory of Coulomb excitation. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  15. 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...

  16. Enhanced efficiency in the excitation of higher modes for atomic force microscopy and mechanical sensors operated in liquids

    Energy Technology Data Exchange (ETDEWEB)

    Penedo, M., E-mail: mapenedo@imm.cnm.csic.es; Hormeño, S.; Fernández-Martínez, I.; Luna, M.; Briones, F. [IMM-Instituto de Microelectrónica de Madrid (CNM-CSIC), Isaac Newton 8, PTM, E-28760 Tres Cantos, Madrid (Spain); Raman, A. [Birck Nanotechnology Center and School of Mechanical Engineering, Purdue University, West Lafayette, Indiana 47904 (United States)

    2014-10-27

    Recent developments in dynamic Atomic Force Microscopy where several eigenmodes are simultaneously excited in liquid media are proving to be an excellent tool in biological studies. Despite its relevance, the search for a reliable, efficient, and strong cantilever excitation method is still in progress. Herein, we present a theoretical modeling and experimental results of different actuation methods compatible with the operation of Atomic Force Microscopy in liquid environments: ideal acoustic, homogeneously distributed force, distributed applied torque (MAC Mode™), photothermal and magnetostrictive excitation. From the analysis of the results, it can be concluded that magnetostriction is the strongest and most efficient technique for higher eigenmode excitation when using soft cantilevers in liquid media.

  17. 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.

  18. 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)

  19. 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.

  20. 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)

  1. Brain activation in motor sequence learning is related to the level of native cortical excitability.

    Directory of Open Access Journals (Sweden)

    Silke Lissek

    Full Text Available Cortical excitability may be subject to changes through training and learning. Motor training can increase cortical excitability in motor cortex, and facilitation of motor cortical excitability has been shown to be positively correlated with improvements in performance in simple motor tasks. Thus cortical excitability may tentatively be considered as a marker of learning and use-dependent plasticity. Previous studies focused on changes in cortical excitability brought about by learning processes, however, the relation between native levels of cortical excitability on the one hand and brain activation and behavioral parameters on the other is as yet unknown. In the present study we investigated the role of differential native motor cortical excitability for learning a motor sequencing task with regard to post-training changes in excitability, behavioral performance and involvement of brain regions. Our motor task required our participants to reproduce and improvise over a pre-learned motor sequence. Over both task conditions, participants with low cortical excitability (CElo showed significantly higher BOLD activation in task-relevant brain regions than participants with high cortical excitability (CEhi. In contrast, CElo and CEhi groups did not exhibit differences in percentage of correct responses and improvisation level. Moreover, cortical excitability did not change significantly after learning and training in either group, with the exception of a significant decrease in facilitatory excitability in the CEhi group. The present data suggest that the native, unmanipulated level of cortical excitability is related to brain activation intensity, but not to performance quality. The higher BOLD mean signal intensity during the motor task might reflect a compensatory mechanism in CElo participants.

  2. 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.)

  3. 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.

  4. 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.)

  5. 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.

  6. 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...

  7. 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.

  8. 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

  9. Inference of Functionally-Relevant N-acetyltransferase Residues Based on Statistical Correlations.

    Directory of Open Access Journals (Sweden)

    Andrew F Neuwald

    2016-12-01

    Full Text Available Over evolutionary time, members of a superfamily of homologous proteins sharing a common structural core diverge into subgroups filling various functional niches. At the sequence level, such divergence appears as correlations that arise from residue patterns distinct to each subgroup. Such a superfamily may be viewed as a population of sequences corresponding to a complex, high-dimensional probability distribution. Here we model this distribution as hierarchical interrelated hidden Markov models (hiHMMs, which describe these sequence correlations implicitly. By characterizing such correlations one may hope to obtain information regarding functionally-relevant properties that have thus far evaded detection. To do so, we infer a hiHMM distribution from sequence data using Bayes' theorem and Markov chain Monte Carlo (MCMC sampling, which is widely recognized as the most effective approach for characterizing a complex, high dimensional distribution. Other routines then map correlated residue patterns to available structures with a view to hypothesis generation. When applied to N-acetyltransferases, this reveals sequence and structural features indicative of functionally important, yet generally unknown biochemical properties. Even for sets of proteins for which nothing is known beyond unannotated sequences and structures, this can lead to helpful insights. We describe, for example, a putative coenzyme-A-induced-fit substrate binding mechanism mediated by arginine residue switching between salt bridge and π-π stacking interactions. A suite of programs implementing this approach is available (psed.igs.umaryland.edu.

  10. Inference of Functionally-Relevant N-acetyltransferase Residues Based on Statistical Correlations.

    Science.gov (United States)

    Neuwald, Andrew F; Altschul, Stephen F

    2016-12-01

    Over evolutionary time, members of a superfamily of homologous proteins sharing a common structural core diverge into subgroups filling various functional niches. At the sequence level, such divergence appears as correlations that arise from residue patterns distinct to each subgroup. Such a superfamily may be viewed as a population of sequences corresponding to a complex, high-dimensional probability distribution. Here we model this distribution as hierarchical interrelated hidden Markov models (hiHMMs), which describe these sequence correlations implicitly. By characterizing such correlations one may hope to obtain information regarding functionally-relevant properties that have thus far evaded detection. To do so, we infer a hiHMM distribution from sequence data using Bayes' theorem and Markov chain Monte Carlo (MCMC) sampling, which is widely recognized as the most effective approach for characterizing a complex, high dimensional distribution. Other routines then map correlated residue patterns to available structures with a view to hypothesis generation. When applied to N-acetyltransferases, this reveals sequence and structural features indicative of functionally important, yet generally unknown biochemical properties. Even for sets of proteins for which nothing is known beyond unannotated sequences and structures, this can lead to helpful insights. We describe, for example, a putative coenzyme-A-induced-fit substrate binding mechanism mediated by arginine residue switching between salt bridge and π-π stacking interactions. A suite of programs implementing this approach is available (psed.igs.umaryland.edu).

  11. Functionally relevant climate variables for arid lands: Aclimatic water deficit approach for modelling desert shrub distributions

    Science.gov (United States)

    Thomas E. Dilts; Peter J. Weisberg; Camie M. Dencker; Jeanne C. Chambers

    2015-01-01

    We have three goals. (1) To develop a suite of functionally relevant climate variables for modelling vegetation distribution on arid and semi-arid landscapes of the Great Basin, USA. (2) To compare the predictive power of vegetation distribution models based on mechanistically proximate factors (water deficit variables) and factors that are more mechanistically removed...

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. Sixty-four slice spiral CT angiography does not predict the functional relevance of coronary artery stenoses in patients with stable angina

    International Nuclear Information System (INIS)

    Hacker, Marcus; Hack, Nicolas; Hahn, Klaus; Tiling, Reinhold; Jakobs, Tobias; Nikolaou, Konstantin; Becker, Christoph; Reiser, Maximilian; Ziegler, Franz von; Knez, Andreas; Koenig, Andreas; Klauss, Volker

    2007-01-01

    The aim of this study was to evaluate spiral multidetector computed tomography (MDCT) angiography using 64-slice technique in the detection of functionally relevant coronary artery stenoses (CAS). Thirty-eight patients (62±11 years, 28 men) with stable angina (26 with suspected and 12 with known coronary artery disease) were investigated using 64-slice MDCT angiography and gated myocardial perfusion SPECT (gated SPECT); a subgroup of 30 patients had additional invasive coronary angiography (ICA). Stenoses with luminal narrowing of ≥50% were defined as ''significant'' in MDCT angiography and ICA. MDCT angiography was compared with gated SPECT and the combination of gated SPECT plus ICA with respect to the detection of functionally relevant CAS. The sensitivity, specificity and negative and positive predictive values of MDCT angiography in detecting reversible perfusion defects on gated SPECT were 63%, 80%, 94% and 32%, respectively, in vessel-based analysis and 71%, 62%, 72% and 60%, respectively, in patient-based analysis. If only reversible perfusion defects on gated SPECT with CAS ≥50% on ICA were considered, the sensitivity, specificity and negative and positive predictive values were, respectively, 85%, 79%, 98% and 33% for vessel-based analysis and 85%, 59%, 83% and 61% for patient-based analysis. Sixty-four slice MDCT angiography failed to predict the functional relevance of CAS, but had a high negative predictive value in the exclusion of functionally relevant CAS in symptomatic patients. (orig.)

  17. Sixty-four slice spiral CT angiography does not predict the functional relevance of coronary artery stenoses in patients with stable angina

    Energy Technology Data Exchange (ETDEWEB)

    Hacker, Marcus; Hack, Nicolas; Hahn, Klaus; Tiling, Reinhold [Ludwig-Maximilians-University, Department of Nuclear Medicine, Munich (Germany); Jakobs, Tobias; Nikolaou, Konstantin; Becker, Christoph; Reiser, Maximilian [Ludwig-Maximilians-University, Department of Clinical Radiology, Munich (Germany); Ziegler, Franz von; Knez, Andreas [Ludwig-Maximilians-University, Department of Cardiology, Klinikum Grosshadern, Munich (Germany); Koenig, Andreas; Klauss, Volker [Ludwig-Maximilians-University, Department of Cardiology, Medizinische Poliklinik-Innenstadt, Munich (Germany)

    2007-01-15

    The aim of this study was to evaluate spiral multidetector computed tomography (MDCT) angiography using 64-slice technique in the detection of functionally relevant coronary artery stenoses (CAS). Thirty-eight patients (62{+-}11 years, 28 men) with stable angina (26 with suspected and 12 with known coronary artery disease) were investigated using 64-slice MDCT angiography and gated myocardial perfusion SPECT (gated SPECT); a subgroup of 30 patients had additional invasive coronary angiography (ICA). Stenoses with luminal narrowing of {>=}50% were defined as ''significant'' in MDCT angiography and ICA. MDCT angiography was compared with gated SPECT and the combination of gated SPECT plus ICA with respect to the detection of functionally relevant CAS. The sensitivity, specificity and negative and positive predictive values of MDCT angiography in detecting reversible perfusion defects on gated SPECT were 63%, 80%, 94% and 32%, respectively, in vessel-based analysis and 71%, 62%, 72% and 60%, respectively, in patient-based analysis. If only reversible perfusion defects on gated SPECT with CAS {>=}50% on ICA were considered, the sensitivity, specificity and negative and positive predictive values were, respectively, 85%, 79%, 98% and 33% for vessel-based analysis and 85%, 59%, 83% and 61% for patient-based analysis. Sixty-four slice MDCT angiography failed to predict the functional relevance of CAS, but had a high negative predictive value in the exclusion of functionally relevant CAS in symptomatic patients. (orig.)

  18. 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.

  19. 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

  20. 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.

  1. 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

  2. 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)

  3. Optical spectroscopy of orbital and magnetic excitations in vanadates and cuprates

    International Nuclear Information System (INIS)

    Benckiser, Eva Vera

    2007-10-01

    Within the scope of this thesis, the low-energy excitations of undoped Mott insulators RVO 3 with R = Y, Ho, and Ce, (Sr,Ca)CuO 2 and La 8 Cu 7 O 19 have been investigated by means of optical spectroscopy. The compounds RVO 3 with R=rare-earth ion recently have attracted a lot of interest because of their unusual structural, orbital, and magnetic properties. The compounds undergo a series of temperatureinduced phase transitions accompanied by a change of orbital and magnetic order. Furthermore, it has been proposed that YVO 3 represents the first realization of a one-dimensional orbital liquid and an orbital Peierls phase, with a transition to an orbitally ordered phase at lower temperatures. In this thesis, we present the optical conductivity σ(ω) of RVO 3 with R=Y, Ho, and Ce for energies from 0.1 to 1.6 eV as a function of temperature (10-300 K) and polarization of the incident light parallel to the crystallographic axes (σ a ,σ b ,σ c ). Our main experimental result is the observation of two absorption features at 0.55 eV in σ a (ω) and 0.4 eV in σ c (ω) which are assigned to collective orbital excitations, in contrast to conventional local crystal-field transitions. Altogether, our results strongly suggest that in RVO 3 with R=Y, Ho, and Ce the orbital exchange interactions play a decisive role. In a second study, we have investigated the magnetic excitations of low-dimensional quantum magnets, namely the spin chain (Sr,Ca)CuO 2 and the five-leg ladder La 8 Cu 7 O 19 . For (Sr,Ca)CuO 2 , two absorption features around 0.4 eV in σ c (ω) (chain direction) and σ b (ω) (inter-chain direction) are identified as magnetic contributions to the optical conductivity. The analysis of σ c (ω) enables the very precise determination of the nearest-neighbor exchange coupling J c as a function of temperature and Ca substitution. We have found J c =(227±4) meV for SrCuO 2 at low temperatures and no effect on J c upon Ca-substitution of 10%. Furthermore, we

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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.

  9. 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.

  10. 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.)

  11. 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.

  12. Excitation of Neutron Star f-mode in Low Mass X-ray Binaries

    International Nuclear Information System (INIS)

    Araujo, J C N de; Miranda, O D; Aguiar, O D

    2006-01-01

    Neutron Stars (NSs) present a host of pulsation modes. Only a few of them, however, is of relevance from the gravitational wave (GW) point of view. Among the various possible modes the pulsation energy is mostly stored in the f-mode in which the fluid parameters undergo the largest changes. An important question is how the pulsation modes are excited in NSs. Here we consider the excitation of the f-mode in the accreting NSs belonging to Low Mass X-ray Binaries (LMXBs), which may well be a recurrent source of GWs, since the NSs are continuously receiving matter from their companion stars. We also discuss the detectability of the GWs for the scenario considered here

  13. 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.

  14. 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

  15. Concluding remarks of international symposium on highly excited states in nuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Bernstein, A. M.; Ikegami, H.; Muraoka, M. [eds.

    1980-01-01

    This is the concluding remarks in the international symposium on highly excited states in nuclear reactions. The remarks concentrate on the giant quadrupole states. In the framework of the distorted wave Born approximation (DWB), the differential cross section can be deduced. The relevant transition matrix elements are defined, and the quantities which are measured in inelastic hadron (h, h') reactions are shown. These are used to obtain both neutron and proton transition multipole matrix elements. This is equivalent to make the isospin decomposition of the electromagnetic transition matrix elements. The ratios of the transition matrix elements of neutrons and protons of the lowest 2/sup +/ states in even-even single closed shell nuclei are evaluated and compared with experimental results. For each nucleus, the consistency between various measurements is generally good. The effect of the virtual excitation of giant 2/sup +/ states into the ground and first excited states of even-even nuclei is discussed. The accuracy of (h, h') results can be tested.

  16. On the calculation of lattice sums arising in Bose-Einstein statistics of quasiparticle excitations

    International Nuclear Information System (INIS)

    Millev, Y.; Faehnle, M.

    1994-05-01

    A new method for the calculations of the average occupation number of bosonic quasi-particle excitations valid for any type of lattice is proposed. The method is based on the recognition of the connection with lattice Green's functions and generalized Watson integrals, on one hand, and on a very simple differentiation technique which renders unnecessary and artificial to this problem more sophisticated Laplace transform summation procedures. The mean-field approximation to Green's function theories of ferromagnetism arises naturally as the zeroth term in the obtained summation formulae. The results have been specified completely for the three cubic lattices. They are new for the simple cubic and face-centred cases, whereas certain redundancy is removed form the known body-centred cubic results. Applications of the method to more complex sums as, for instance, the thermodynamic sum for the total energy of the quasiparticles, are straightforward. There has also been found a new three-position recursion relation for the calculation of frequently occurring triple geometric integrals in the face-centred cubic case. It originates form a corresponding relation for a relevant Heun function. (author). 29 refs, 1 tab

  17. The photoluminescence/excitation (PL/E) spectroscopy of Eu-implanted GaN

    KAUST Repository

    O'Donnell, Kevin Peter

    2011-05-01

    Several distinct luminescent centres form in GaN samples doped with Eu. One centre, Eu2, recently identified as the isolated, substitutional Eu impurity, EuGa, is dominant in ion-implanted samples annealed under very high pressures (1 GPa) of N2. According to structural determinations, such samples exhibit an essentially complete removal of lattice damage caused by the implantation process. A second centre, Eu1, probably comprising EuGa in association with an intrinsic lattice defect, produces a more complex emission spectrum. In addition there are several unidentified features in the 5D0 to 7F2 spectral region near 620 nm. We can readily distinguish Eu1 and Eu2 by their excitation spectra, in particular through their different sensitivities to above-gap and below-gap excitation. The present study extends recent work on photoluminescence/ excitation (PL/E) spectroscopy of Eu1 and Eu2 to arrive at an understanding of these mechanisms in terms of residual optically active defect concentrations. We also report further on the \\'host-independent\\' excitation mechanism that is active in the case of a prominent minority centre. The relevance of this work to the operation of the red GaN:Eu light-emitting diode is discussed. © 2010 Elsevier B.V. All rights reserved.

  18. The photoluminescence/excitation (PL/E) spectroscopy of Eu-implanted GaN

    KAUST Repository

    O'Donnell, Kevin Peter; Roqan, Iman S.; Wang, Ke; Lorenz, Katharina; Alves, Eduardo Jorge; Boćkowski, Michał X.

    2011-01-01

    Several distinct luminescent centres form in GaN samples doped with Eu. One centre, Eu2, recently identified as the isolated, substitutional Eu impurity, EuGa, is dominant in ion-implanted samples annealed under very high pressures (1 GPa) of N2. According to structural determinations, such samples exhibit an essentially complete removal of lattice damage caused by the implantation process. A second centre, Eu1, probably comprising EuGa in association with an intrinsic lattice defect, produces a more complex emission spectrum. In addition there are several unidentified features in the 5D0 to 7F2 spectral region near 620 nm. We can readily distinguish Eu1 and Eu2 by their excitation spectra, in particular through their different sensitivities to above-gap and below-gap excitation. The present study extends recent work on photoluminescence/ excitation (PL/E) spectroscopy of Eu1 and Eu2 to arrive at an understanding of these mechanisms in terms of residual optically active defect concentrations. We also report further on the 'host-independent' excitation mechanism that is active in the case of a prominent minority centre. The relevance of this work to the operation of the red GaN:Eu light-emitting diode is discussed. © 2010 Elsevier B.V. All rights reserved.

  19. The ADAR RNA editing enzyme controls neuronal excitability in Drosophila melanogaster

    Science.gov (United States)

    Li, Xianghua; Overton, Ian M.; Baines, Richard A.; Keegan, Liam P.; O’Connell, Mary A.

    2014-01-01

    RNA editing by deamination of specific adenosine bases to inosines during pre-mRNA processing generates edited isoforms of proteins. Recoding RNA editing is more widespread in Drosophila than in vertebrates. Editing levels rise strongly at metamorphosis, and Adar5G1 null mutant flies lack editing events in hundreds of CNS transcripts; mutant flies have reduced viability, severely defective locomotion and age-dependent neurodegeneration. On the other hand, overexpressing an adult dADAR isoform with high enzymatic activity ubiquitously during larval and pupal stages is lethal. Advantage was taken of this to screen for genetic modifiers; Adar overexpression lethality is rescued by reduced dosage of the Rdl (Resistant to dieldrin), gene encoding a subunit of inhibitory GABA receptors. Reduced dosage of the Gad1 gene encoding the GABA synthetase also rescues Adar overexpression lethality. Drosophila Adar5G1 mutant phenotypes are ameliorated by feeding GABA modulators. We demonstrate that neuronal excitability is linked to dADAR expression levels in individual neurons; Adar-overexpressing larval motor neurons show reduced excitability whereas Adar5G1 null mutant or targeted Adar knockdown motor neurons exhibit increased excitability. GABA inhibitory signalling is impaired in human epileptic and autistic conditions, and vertebrate ADARs may have a relevant evolutionarily conserved control over neuronal excitability. PMID:24137011

  20. 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)

  1. 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.

  2. 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.

  3. 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

  4. 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

  5. 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.

  6. Rotational excitation of N2 by electron impact: 1-4 eV

    International Nuclear Information System (INIS)

    Wong, S.F.; Dube, L.

    1978-01-01

    Rotational and rotational-vibrational (v = 0 → 1) excitation in N 2 have been studied with a crossed-beam electron-impact apparatus. In the energy range 1-4 eV, the elastic and vibrational energy-loss peaks show large rotational broadening compared with the apparatus profile (full width at half-maximum, 18 meV). The branching ratios for rotational transitions with Δj = 0, +- 2, +- 4 are obtained with a line-shape analysis applied to the energy-loss profiles. The results for rotational-vibrational excitation at 2.27 eV and scattering angles 30-90 0 are in good agreement with the calculations using the resonant dπ waves and the rotational impulse approximation. The corresponding results for pure rotational excitation show that the branches with Δj = +- 2 and +- 4 are predominantly excited via resonances, while the branch with Δj = 0 contains a large contribution from direct scattering. The absolute rotational cross sections for Δj = +- 4 are measured; they exhibit a large magnitude (10 -16 cm 2 ) and peak and valley structures in the 1-4 eV range, reminiscent of well-known resonant vibrational excitation. The energy dependence and the absolute magnitude of the rotational cross sections for Δj = +- 4 can be understood in terms of a ''boomerang'' calculation. A comparison of the experiment with the relevant theoretical calculations is made

  7. 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

  8. Pionic modes of excitation in continuum from the (p,n) reaction

    International Nuclear Information System (INIS)

    Izumoto, T.; Ichimura, M.; Ko, C.M.; Siemens, P.J.; Texas A and M Univ., College Station

    1982-01-01

    The continuum spectra of the 90 Zr(p, n) reaction at Esub(p) = 200 MeV are studied in the DWBA up to high excitation hω(approx. <= 60 MeV) and large momentum transfer q(approx. <= 3 μsub(π)). The response function is obtained in a local-density approximation, taking into account p-h and Δ-h excitations and the short-range correlation g' between them. For small g' approx. <= 0.5, a broad bump due to the opalescence effect can be seen in the calculated cross section at rather low excitation and near q approx. equal to 2.2 μsub(π). However, for larger g', this effect is suppressed, and a broader bump in cross section is located at higher excitation. (orig.)

  9. 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.

  10. Improved health-relevant functionality in dark germinated Mucuna pruriens sprouts by elicitation with peptide and phytochemical elicitors.

    Science.gov (United States)

    Randhir, Reena; Kwon, Young-In; Shetty, Kalidas

    2009-10-01

    The health-relevant functionality of Mucuna pruriens was improved by priming the seeds with elicitors of the pentose phosphate pathway (PPP) such as fish protein hydrolysates (FPHs), lactoferrin (LF) and oregano extract (OE) followed by dark germination. FPH elicited the highest phenolic content of 19 mg/g FW on day 1, which was 38% higher than control sprouts. OE enhanced Parkinson's disease-relevant L-DOPA content by 33% on day 1 compared to control sprouts. Anti-diabetes-relevant alpha-amylase inhibition percent (AIP) and alpha-glucosidase inhibition percent (GIP) were high in the cotyledons and decreased following elicitation and sprouting. For potential anti-diabetic applications, low AIP and high GIP with moderate L-DOPA content on day 4 of dark germination could be optimal. Improved L-DOPA concentrations in a soluble phenolic and antioxidant-rich M. pruriens background on day 1 sprouts have potential for Parkinson's disease management.

  11. Excitation function of alpha-particle-induced reactions on {sup nat}Ni from threshold to 44 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Uddin, M.S. [Atomic Energy Research Establishment, Tandem Accelerator Facilities, Institute of Nuclear Science and Technology, Savar, Dhaka (Bangladesh); Kim, K.S.; Nadeem, M.; Kim, G.N. [Kyungpook National University, Department of Physics, Buk-gu, Daegu (Korea, Republic of); Sudar, S. [Debrecen University, Institute of Experimental Physics, Debrecen (Hungary)

    2017-05-15

    Excitation functions of the {sup nat}Ni(α,x){sup 62,63,65}Zn, {sup nat}Ni(α,x){sup 56,57}Ni and {sup nat}Ni(α,x){sup 56,57,58m+g}Co reactions were measured from the respective thresholds to 44MeV using the stacked-foil activation technique. The tests for the beam characterization are described. The radioactivity was measured using HPGe γ-ray detectors. Theoretical calculations on α-particles-induced reactions on {sup nat}Ni were performed using the nuclear model code TALYS-1.8. A few results are new, the others strengthen the database. Our experimental data were compared with results of nuclear model calculations and described the reaction mechanism. (orig.)

  12. Soft Sensing of Key State Variables in Fermentation Process Based on Relevance Vector Machine with Hybrid Kernel Function

    Directory of Open Access Journals (Sweden)

    Xianglin ZHU

    2014-06-01

    Full Text Available To resolve the online detection difficulty of some important state variables in fermentation process with traditional instruments, a soft sensing modeling method based on relevance vector machine (RVM with a hybrid kernel function is presented. Based on the characteristic analysis of two commonly-used kernel functions, that is, local Gaussian kernel function and global polynomial kernel function, a hybrid kernel function combing merits of Gaussian kernel function and polynomial kernel function is constructed. To design optimal parameters of this kernel function, the particle swarm optimization (PSO algorithm is applied. The proposed modeling method is used to predict the value of cell concentration in the Lysine fermentation process. Simulation results show that the presented hybrid-kernel RVM model has a better accuracy and performance than the single kernel RVM model.

  13. Fourth-order perturbative extension of the single-double excitation coupled-cluster method

    International Nuclear Information System (INIS)

    Derevianko, Andrei; Emmons, Erik D.

    2002-01-01

    Fourth-order many-body corrections to matrix elements for atoms with one valence electron are derived. The obtained diagrams are classified using coupled-cluster-inspired separation into contributions from n-particle excitations from the lowest-order wave function. The complete set of fourth-order diagrams involves only connected single, double, and triple excitations and disconnected quadruple excitations. Approximately half of the fourth-order diagrams are not accounted for by the popular coupled-cluster method truncated at single and double excitations (CCSD). Explicit formulas are tabulated for the entire set of fourth-order diagrams missed by the CCSD method and its linearized version, i.e., contributions from connected triple and disconnected quadruple excitations. A partial summation scheme of the derived fourth-order contributions to all orders of perturbation theory is proposed

  14. Learning preferences and attitudes by multi-criteria overlap dominance and relevance functions

    DEFF Research Database (Denmark)

    Franco de los Ríos, Camilo; Hougaard, Jens Leth; Nielsen, Kurt

    2018-01-01

    This paper proposes an interval-valued multi-criteria method for learning preferences and attitudes, identifying priorities with maximal robustness for decision support. The method is based on the notion of weighted overlap dominance, formalized by means of aggregation operators and interval......-valued fuzzy sets. The procedure handles uncertainty by estimating the likelihood of dominance among pairs of alternatives, inducing an attitude-based system of dominance and indifference relations. This system allows conflicting situations of indifference/dependency to arise, which need to be resolved...... for properly identifying preferences under any attitude. In order to do so, relevance functions are examined over the whole system of relations, obtaining a weak preference order together with its associated attitude and robustness index. As a result, the proposed method allows learning preferences...

  15. Podoplanin emerges as a functionally relevant oral cancer biomarker and therapeutic target.

    Science.gov (United States)

    Retzbach, Edward P; Sheehan, Stephanie A; Nevel, Evan M; Batra, Amber; Phi, Tran; Nguyen, Angels T P; Kato, Yukinari; Baredes, Soly; Fatahzadeh, Mahnaz; Shienbaum, Alan J; Goldberg, Gary S

    2018-03-01

    Oral cancer has become one of the most aggressive types of cancer, killing 140,000 people worldwide every year. Current treatments for oral cancer include surgery and radiation therapies. These procedures can be very effective; however, they can also drastically decrease the quality of life for survivors. New chemotherapeutic treatments are needed to more effectively combat oral cancer. The transmembrane receptor podoplanin (PDPN) has emerged as a functionally relevant oral cancer biomarker and chemotherapeutic target. PDPN expression promotes tumor cell migration leading to oral cancer invasion and metastasis. Here, we describe the role of PDPN in oral squamous cell carcinoma progression, and how it may be exploited to prevent and treat oral cancer. Copyright © 2018 Elsevier Ltd. All rights reserved.

  16. Ab initio theoretical calculations of the electronic excitation energies of small water clusters.

    Science.gov (United States)

    Tachikawa, Hiroto; Yabushita, Akihiro; Kawasaki, Masahiro

    2011-12-14

    A direct ab initio molecular dynamics method has been applied to a water monomer and water clusters (H(2)O)(n) (n = 1-3) to elucidate the effects of zero-point energy (ZPE) vibration on the absorption spectra of water clusters. Static ab initio calculations without ZPE showed that the first electronic transitions of (H(2)O)(n), (1)B(1)←(1)A(1), are blue-shifted as a function of cluster size (n): 7.38 eV (n = 1), 7.58 eV (n = 2) and 8.01 eV (n = 3). The inclusion of the ZPE vibration strongly affects the excitation energies of a water dimer, and a long red-tail appears in the range of 6.42-6.90 eV due to the structural flexibility of a water dimer. The ultraviolet photodissociation of water clusters and water ice surfaces is relevant to these results.

  17. Structure of the nucleon's low-lying excitations

    Science.gov (United States)

    Chen, Chen; El-Bennich, Bruno; Roberts, Craig D.; Schmidt, Sebastian M.; Segovia, Jorge; Wan, Shaolong

    2018-02-01

    A continuum approach to the three valence-quark bound-state problem in quantum field theory is used to perform a comparative study of the four lightest (I =1 /2 ,JP=1 /2±) baryon isospin doublets in order to elucidate their structural similarities and differences. Such analyses predict the presence of nonpointlike, electromagnetically active quark-quark (diquark) correlations within all baryons; and in these doublets, isoscalar-scalar, isovector-pseudovector, isoscalar-pseudoscalar, and vector diquarks can all play a role. In the two lightest (1 /2 ,1 /2+) doublets, however, scalar and pseudovector diquarks are overwhelmingly dominant. The associated rest-frame wave functions are largely S -wave in nature; and the first excited state in this 1 /2+ channel has the appearance of a radial excitation of the ground state. The two lightest (1 /2 ,1 /2-) doublets fit a different picture: accurate estimates of their masses are obtained by retaining only pseudovector diquarks; in their rest frames, the amplitudes describing their dressed-quark cores contain roughly equal fractions of even- and odd-parity diquarks; and the associated wave functions are predominantly P -wave in nature, but possess measurable S -wave components. Moreover, the first excited state in each negative-parity channel has little of the appearance of a radial excitation. In quantum field theory, all differences between positive- and negative-parity channels must owe to chiral symmetry breaking, which is overwhelmingly dynamical in the light-quark sector. Consequently, experiments that can validate the contrasts drawn herein between the structure of the four lightest (1 /2 ,1 /2±) doublets will prove valuable in testing links between emergent mass generation and observable phenomena and, plausibly, thereby revealing dynamical features of confinement.

  18. Exon silencing by UAGG motifs in response to neuronal excitation.

    Directory of Open Access Journals (Sweden)

    Ping An

    2007-02-01

    Full Text Available Alternative pre-mRNA splicing plays fundamental roles in neurons by generating functional diversity in proteins associated with the communication and connectivity of the synapse. The CI cassette of the NMDA R1 receptor is one of a variety of exons that show an increase in exon skipping in response to cell excitation, but the molecular nature of this splicing responsiveness is not yet understood. Here we investigate the molecular basis for the induced changes in splicing of the CI cassette exon in primary rat cortical cultures in response to KCl-induced depolarization using an expression assay with a tight neuron-specific readout. In this system, exon silencing in response to neuronal excitation was mediated by multiple UAGG-type silencing motifs, and transfer of the motifs to a constitutive exon conferred a similar responsiveness by gain of function. Biochemical analysis of protein binding to UAGG motifs in extracts prepared from treated and mock-treated cortical cultures showed an increase in nuclear hnRNP A1-RNA binding activity in parallel with excitation. Evidence for the role of the NMDA receptor and calcium signaling in the induced splicing response was shown by the use of specific antagonists, as well as cell-permeable inhibitors of signaling pathways. Finally, a wider role for exon-skipping responsiveness is shown to involve additional exons with UAGG-related silencing motifs, and transcripts involved in synaptic functions. These results suggest that, at the post-transcriptional level, excitable exons such as the CI cassette may be involved in strategies by which neurons mount adaptive responses to hyperstimulation.

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

    Science.gov (United States)

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

    2014-10-14

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

  20. Local excitation of surface plasmon polaritons by second-harmonic generation in crystalline organic nanofibers

    DEFF Research Database (Denmark)

    Skovsen, Esben; Søndergaard, Thomas; Fiutowski, Jacek

    2012-01-01

    Coherent local excitation of surface plasmon polaritons (SPPs) by second-harmonic generation (SHG) in aligned crystalline organic functionalized para-phenylene nanofibers deposited on a thin silver film is demonstrated. The excited SPPs are characterized using angle-resolved leakage radiation...

  1. Wavelet-Based Frequency Response Function: Comparative Study of Input Excitation

    Directory of Open Access Journals (Sweden)

    K. Dziedziech

    2014-01-01

    Full Text Available Time-variant systems can be found in many areas of engineering. It is widely accepted that the classical Fourier-based methods are not suitable for the analysis and identification of such systems. The time-variant frequency response function—based on the continuous wavelet transform—is used in this paper for the analysis of time-variant systems. The focus is on the comparative study of various broadband input excitations. The performance of the method is tested using simulated data from a simple MDOF system and experimental data from a frame-like structure.

  2. Study of excitation energy sharing in heavy ion collisions as a function of their inelasticity

    International Nuclear Information System (INIS)

    Lott, B.

    1986-01-01

    The excitation energy sharing between the fragments of a heavy ion collision has been studied for quasi-elastic and deep inelastic mechanisms. A 32 S beam of 232 MeV incident energy has been used to bombard several targets (S, 58 Ni, 93 Nb). The evaporated charged particle multiplicities have been measured by inclusive measurements of the projectile-like nuclei and exclusive measurements of the two final nuclei. Evaporation calculations using the Hauser-Feshbach formalism allows us to deduce from the multiplicity measurements the projectile-like excitation energy. These results are compatible with the assumption of an equal sharing of excitation energies for quasi-elastic reaction products, and with the assumption of a mass ratio sharing for fully relaxed reaction products. Limiting values for the relaxation time of this mode have been deduced and are in agreement with predictions from the model developed by Randrup [fr

  3. Theory of singlet-doublet excitations in praseodymium

    International Nuclear Information System (INIS)

    Bak, P.

    1975-10-01

    The magnetic excitation spectrum in a paramagnetic singlet-doublet system is calculated using a diagrammatic high density expansion technique. The lowest order diagrams, which correspond to the random phase approximation (RPA), give a detailed description of the wave vector and temperature dependence of the four exciton modes in praseodymium in terms of a Hamiltonian including isotropic Heisenberg exchange interactions and anisotropic, dipolar-like interactions. The leading contributions to the linewidths of the excitations are obtained by extending the 1/Z expansion of the generalized susceptibility propagators one order beyond the random phase approximation. This damping corresponds to spin wave scattering on single-site fluctuations. The theoretical spectral functions are in detailed agreement with experiment

  4. Elementary excitations in nuclei

    International Nuclear Information System (INIS)

    Lemmer, R.H.

    1987-01-01

    The role of elementary quasi-particle and quasi-hole excitations is reviewed in connection with the analysis of data involving high-lying nuclear states. This article includes discussions on: (i) single quasi-hole excitations in pick-up reactions, (ii) the formation of single quasi-hole and quasi-particle excitations (in different nuclei) during transfer reactions, followed by (iii) quasi-particle quasi-hole excitations in the same nucleus that are produced by photon absorption. Finally, the question of photon absorption in the vicinity of the elementary Δ resonance is discussed, where nucleonic as well as nuclear degrees of freedom can be excited

  5. Measurement of 197Au(tau,xnyp) excitation functions for 15 MeV <= Esub(tau) <= 135 MeV and analysis in the framework of the hybrid model

    International Nuclear Information System (INIS)

    Bousshid, O.

    1981-01-01

    The (tau,xnyp)-reactions on 197 Au were measured. The 3 He incident energy was between 15 MeV and 135 MeV. The experiments were carried out using the stacked-foils technique. Cross sections were determind from the activity of the residual nuclei. The (tau,xn)-excitation functions were measured for 2 = 70 MeV as well as x >= 7 were measured for the first time. Further the (tau,pxn)- and (tau,2pxn)-excitation functions, which were not known so far, have now been measured. The analysis within the framework of the hybrid model for precompound-nuclear-reactions followed by an evaporation cascade, resulted in the best agreement between experimental data and theoretical model calculation using an initial exciton number nsub(o) = 5 (1n+3p+1h). The region of validity of the hybrid model for complex projectiles is discussed. (orig.) [de

  6. Thermal Excitation System for Shearography (TESS)

    Science.gov (United States)

    Lansing, Matthew D.; Bullock, Michael W.

    1996-01-01

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

  7. The Sommerfeld enhancement for dark matter with an excited state

    International Nuclear Information System (INIS)

    Slatyer, Tracy R.

    2010-01-01

    We present an analysis of the Sommerfeld enhancement to dark matter annihilation in the presence of an excited state, where the interaction inducing the enhancement is purely off-diagonal, such as in models of exciting or inelastic dark matter. We derive a simple and accurate semi-analytic approximation for the s-wave enhancement, which is valid provided the mass splitting between the ground and excited states is not too large, and discuss the cutoff of the enhancement for large mass splittings. We reproduce previously derived results in the appropriate limits, and demonstrate excellent agreement with numerical calculations of the enhancement. We show that the presence of an excited state leads to generically larger values of the Sommerfeld enhancement, larger resonances, and shifting of the resonances to lower mediator masses. Furthermore, in the presence of a mass splitting the enhancement is no longer a monotonic function of velocity: the enhancement where the kinetic energy is close to that required to excite the higher state can be up to twice as large as the enhancement at zero velocity

  8. In vivo electrophysiological measurement of the rat ulnar nerve with axonal excitability testing

    DEFF Research Database (Denmark)

    Wild, Brandon M.; Morris, Renée; Moldovan, Mihai

    2018-01-01

    Electrophysiology enables the objective assessment of peripheral nerve function in vivo. Traditional nerve conduction measures such as amplitude and latency detect chronic axon loss and demyelination, respectively. Axonal excitability techniques "by threshold tracking" expand upon these measures...... by providing information regarding the activity of ion channels, pumps and exchangers that relate to acute function and may precede degenerative events. As such, the use of axonal excitability in animal models of neurological disorders may provide a useful in vivo measure to assess novel therapeutic...... interventions. Here we describe an experimental setup for multiple measures of motor axonal excitability techniques in the rat ulnar nerve. The animals are anesthetized with isoflurane and carefully monitored to ensure constant and adequate depth of anesthesia. Body temperature, respiration rate, heart rate...

  9. Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

    International Nuclear Information System (INIS)

    Deyne, Andy Van Yperen-De; Pauwels, Ewald; Ghysels, An; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen; De Meyer, Thierry; De Clerck, Karen

    2014-01-01

    A Fourier-based method is presented to relate changes of the molecular structure during a molecular dynamics simulation with fluctuations in the electronic excitation energy. The method implies sampling of the ground state potential energy surface. Subsequently, the power spectrum of the velocities is compared with the power spectrum of the excitation energy computed using time-dependent density functional theory. Peaks in both spectra are compared, and motions exhibiting a linear or quadratic behavior can be distinguished. The quadratically active motions are mainly responsible for the changes in the excitation energy and hence cause shifts between the dynamic and static values of the spectral property. Moreover, information about the potential energy surface of various excited states can be obtained. The procedure is illustrated with three case studies. The first electronic excitation is explored in detail and dominant vibrational motions responsible for changes in the excitation energy are identified for ethylene, biphenyl, and hexamethylbenzene. The proposed method is also extended to other low-energy excitations. Finally, the vibrational fingerprint of the excitation energy of a more complex molecule, in particular the azo dye ethyl orange in a water environment, is analyzed

  10. Excitation model of pacemaker cardiomyocytes of cardiac conduction system

    Science.gov (United States)

    Grigoriev, M.; Babich, L.

    2015-11-01

    Myocardium includes typical and atypical cardiomyocytes - pacemakers, which form the cardiac conduction system. Excitation from the atrioventricular node in normal conditions is possible only in one direction. Retrograde direction of pulses is impossible. The most important prerequisite for the work of cardiomyocytes is the anatomical integrity of the conduction system. Changes in contractile force of the cardiomyocytes, which appear periodically, are due to two mechanisms of self-regulation - heterometric and homeometric. Graphic course of the excitation pulse propagation along the heart muscle more accurately reveals the understanding of the arrhythmia mechanism. These models have the ability to visualize the essence of excitation dynamics. However, they do not have the proper forecasting function for result estimation. Integrative mathematical model enables further investigation of general laws of the myocardium active behavior, allows for determination of the violation mechanism of electrical and contractile function of cardiomyocytes. Currently, there is no full understanding of the topography of pacemakers and ionic mechanisms. There is a need for the development of direction of mathematical modeling and comparative studies of the electrophysiological arrangement of cells of atrioventricular connection and ventricular conduction system.

  11. Dynamic response of piping system subject to flow acoustic excitation

    International Nuclear Information System (INIS)

    Wang, T.; Sun, Y.S.

    1988-01-01

    Through the use of a theoretically derived and test data-calibrated forcing function, the dynamic response of a piping system subject to flow-acoustic induced vibration is analyzed. It is shown that the piping behavior can be predicted when consideration is given to both the wall flexural vibration and the piping system vibration. Piping responded as a system to the transversal excitation due to the swirling motion of the fluid flow, as well as flexurally to the high-frequency acoustic excitations. The transverse piping system response was calculated using a lumped mass piping model. The piping model has more stringent requirements than its counterpart for waterhammer and seismic modeling due to the shorter spiral wavelength and higher frequency of the forcing function. Proper modeling ensured that both the moment stress caused by system excitation and the local stress induced by the support reaction load were properly accounted for. Flexural vibration not only poses a threat to nipples and branch connections, but also contributes substantially to the resultant total stress experienced by the pipe. The forcing function approach has the advantage that the critical locations on the piping system can be identified by means of analysis, facilitating surveillance and inspection, as well as fatigue evaluation

  12. Collisional excitation rate coefficients for lithium-like ions

    International Nuclear Information System (INIS)

    Cochrane, D.M.; McWhirter, R.W.P.

    1982-11-01

    This report takes all the available good quality quantal calculations of excitation cross-sections by electron collision for lithium-like ions and intercompares them. There is a comparison also with the small amount of experimental data of 2s 2 S - 2p 2 P cross-sections. On the basis of all of these data, a choice is made of the best cross-sections and these are integrated over Maxwellians to give excitation rate coefficients. In general data are available for up to seven transitions in five or six ions. When the results are compared along the iso-electronic sequence, trends are established which allow estimates to be made of the rate coefficients for these seven transitions for any lithium-like ion of nuclear charge greater than boron. The results are presented graphically and as simple formulae. The formulae reproduce the source data at various levels of accuracy from about +-1% for individual ions to universal formulae of accuracy better than +-15% in the relevant temperature ranges. (author)

  13. Asymmetric excitation of surface plasmons by dark mode coupling

    KAUST Repository

    Zhang, X.

    2016-02-19

    Control over surface plasmons (SPs) is essential in a variety of cutting-edge applications, such as highly integrated photonic signal processing systems, deep-subwavelength lasing, high-resolution imaging, and ultrasensitive biomedical detection. Recently, asymmetric excitation of SPs has attracted enormous interest. In free space, the analog of electromagnetically induced transparency (EIT) in metamaterials has been widely investigated to uniquely manipulate the electromagnetic waves. In the near field, we show that the dark mode coupling mechanism of the classical EIT effect enables an exotic and straightforward excitation of SPs in a metasurface system. This leads to not only resonant excitation of asymmetric SPs but also controllable exotic SP focusing by the use of the Huygens-Fresnel principle. Our experimental findings manifest the potential of developing plasmonic metadevices with unique functionalities.

  14. Asymmetric excitation of surface plasmons by dark mode coupling

    KAUST Repository

    Zhang, X.; Xu, Q.; Li, Q.; Xu, Y.; Gu, J.; Tian, Z.; Ouyang, C.; Liu, Y.; Zhang, S.; Zhang, Xixiang; Han, J.; Zhang, W.

    2016-01-01

    Control over surface plasmons (SPs) is essential in a variety of cutting-edge applications, such as highly integrated photonic signal processing systems, deep-subwavelength lasing, high-resolution imaging, and ultrasensitive biomedical detection. Recently, asymmetric excitation of SPs has attracted enormous interest. In free space, the analog of electromagnetically induced transparency (EIT) in metamaterials has been widely investigated to uniquely manipulate the electromagnetic waves. In the near field, we show that the dark mode coupling mechanism of the classical EIT effect enables an exotic and straightforward excitation of SPs in a metasurface system. This leads to not only resonant excitation of asymmetric SPs but also controllable exotic SP focusing by the use of the Huygens-Fresnel principle. Our experimental findings manifest the potential of developing plasmonic metadevices with unique functionalities.

  15. Clinical use and evaluation of coded excitation in B-mode images

    DEFF Research Database (Denmark)

    Misaridis, Athanasios; Pedersen, M. H.; Jensen, Jørgen Arendt

    2000-01-01

    on a predistorted FM excitation and a mismatched compression filter designed for medical ultrasonic applications. The attenuation effect, analyzed in this paper using the ambiguity function and simulations, dictated the choice of the coded waveform. In this study clinical images, images of wire phantoms......Use of long encoded waveforms can be advantageous in ultrasound imaging, as long as the pulse compression mechanism ensures low range sidelobes and preserves both axial resolution and contrast. A coded excitation/compression scheme was previously presented by our group, which is based...... was programmed to allow alternating excitation on every second frame. That offers the possibility of direct comparison of the same set of image pairs; one with pulsed and one with encoded excitation. Abdominal clinical images from healthy volunteers were acquired and statistically analyzed by means of the auto...

  16. A neural mechanism of dynamic gating of task-relevant information by top-down influence in primary visual cortex.

    Science.gov (United States)

    Kamiyama, Akikazu; Fujita, Kazuhisa; Kashimori, Yoshiki

    2016-12-01

    Visual recognition involves bidirectional information flow, which consists of bottom-up information coding from retina and top-down information coding from higher visual areas. Recent studies have demonstrated the involvement of early visual areas such as primary visual area (V1) in recognition and memory formation. V1 neurons are not passive transformers of sensory inputs but work as adaptive processor, changing their function according to behavioral context. Top-down signals affect tuning property of V1 neurons and contribute to the gating of sensory information relevant to behavior. However, little is known about the neuronal mechanism underlying the gating of task-relevant information in V1. To address this issue, we focus on task-dependent tuning modulations of V1 neurons in two tasks of perceptual learning. We develop a model of the V1, which receives feedforward input from lateral geniculate nucleus and top-down input from a higher visual area. We show here that the change in a balance between excitation and inhibition in V1 connectivity is necessary for gating task-relevant information in V1. The balance change well accounts for the modulations of tuning characteristic and temporal properties of V1 neuronal responses. We also show that the balance change of V1 connectivity is shaped by top-down signals with temporal correlations reflecting the perceptual strategies of the two tasks. We propose a learning mechanism by which synaptic balance is modulated. To conclude, top-down signal changes the synaptic balance between excitation and inhibition in V1 connectivity, enabling early visual area such as V1 to gate context-dependent information under multiple task performances. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  17. Orientation-dependent imaging of electronically excited quantum dots

    Science.gov (United States)

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

    2018-02-01

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

  18. Electron-impact vibrational excitation of the hydroxyl radical in the nighttime upper atmosphere

    Science.gov (United States)

    Campbell, Laurence; Brunger, Michael J.

    2018-02-01

    Chemical processes produce vibrationally excited hydroxyl (OH) in a layer centred at an altitude of about 87 km in the Earth's atmosphere. Observations of this layer are used to deduce temperatures in the mesosphere and to observe the passage of atmospheric gravity waves. Due to the low densities and energies at night of electrons at the relevant altitude, it is not expected that electron-impact excitation of OH would be significant. However, there are unexplained characteristics of OH densities and radiative emissions that might be explained by electron impact. These are measurements of higher than expected densities of OH above 90 km and of emissions at higher energies that cannot be explained by the chemical production processes. This study simulates the role of electron impact in these processes, using theoretical cross sections for electron-impact excitation of OH. The simulations show that electron impact, even in a substantial aurora, cannot fully explain these phenomena. However, in the process of this investigation, apparent inconsistencies in the theoretical cross sections and reaction rates were found, indicating that measurements of electron-impact excitation of OH are needed to resolve these problems and scale the theoretical predictions to allow more accurate simulations.

  19. Boson and fermion many-body assemblies: Fingerprints of excitations in the ground-state wave functions, with examples of superfluid 4He and the homogeneous correlated electron liquid

    International Nuclear Information System (INIS)

    March, N.H.

    2007-08-01

    After a brief summary of some basic properties of ideal gases of bosons and of fermions, two many-body Hamiltonians are cited for which ground-state wave functions allow the generation of excited states. But because of the complexity of ground-state many-body wave functions, we then consider properties of reduced density matrices, and in particular, the diagonal element of the second-order density matrix. For both the homogeneous correlated electron liquid and for an assembly of charged bosons, the ground-state pair correlation function g(r) has fingerprints of the zero-point energy of the plasmon modes. These affect crucially the static structure factor S(k), in the long wavelength limit. This is best understood by means of the Ornstein-Zernike direct correlation function c(r), which plays an important role throughout this article. Turning from such charged liquids, both boson and fermion, to superfluid 4 He, the elevated temperature (T) structure factor S(k, T) is related, albeit approximately, to its zero-temperature counterpart, via the velocity of sound, reflecting the collective phonon excitations, and the superfluid density. Finally some future directions are pointed. (author)

  20. Development and Implementation of Biological Circuits Using Excitable and Non-Excitable Cells

    Energy Technology Data Exchange (ETDEWEB)

    Casasnovas-Orus, V.; Gomez-Cid, L.; Hernandez-Romero, I.; Fuentes, L.; Guillem, M.S.; Atienza, F.; Fernandez-Aviles, F.; Climent, A.M.

    2016-07-01

    Compared to conventional computation systems, living beings require reduced power and raw materials consumption, inviting to explore the concept of biological circuits. In this project, a proof-of-concept of logical biocircuits using cell patterns has been developed. These were based upon differential ionic communication between cells, being the cells types used excitable and non-excitable, modeled by cardiomyocytes and fibroblasts correspondingly. To begin, patterns for the basic logic computation blocks were designed, including the OR gate, AND gate and logic memory. The designs were evaluated with mathematical models and in vitro experiments. Results of mathematical modeling indicated that theoretical approval of the biocircuit function. Regarding in vitro biocircuit implementation, three different selective cell localization techniques proved useful for the pattern creation. Evaluation with optical mapping confirmed the operation of the OR gate and logic memory. More resolution in the cell placement strategy will be needed to observe the proper AND gate operation. Thus, fine-tuning of the implementation process will enable the construction of more complex biocircuits that will take on clinical applications relating to electric stimulation of tissues and programmed drug delivery. (Author)

  1. Electron-impact excitation rate-coefficients and polarization of subsequent emission for Ar"+ ion

    International Nuclear Information System (INIS)

    Dipti; Srivastava, Rajesh

    2016-01-01

    Electron impact excitation in Ar"+ ions has been studied by using fully relativistic distorted wave theory. Calculations are performed to obtain the excitation cross-sections and rate-coefficients for the transitions from the ground state 3p"5 (J=3/2) to fine-structure levels of excited states 3p"44s, 3p"44p, 3p"45s, 3p"45p, 3p"43d and 3p"44d. Polarization of the radiation following the excitation has been calculated using the obtained magnetic sub-level cross-sections. Comparison of the present rate-coefficients is also done with the previously reported theoretical results for some unresolved fine structure transitions. - Highlights: • Fully relativistic distorted wave theory has been used to study the excitation of fine-structure states of Ar"+. • We have calculated electron-impact excitation cross-sections for the wide range of incident electron energies. • Electron impact excitation rate-coefficients are calculated as a function of electron temperature. • Polarization of photons emitted following the decay of the excited fine-structure states are also reported.

  2. Excitation functions and isomeric ratios for the isomeric pair sup(106m)Ag and sup(106g)Ag in the 107Ag (d,t) reaction

    International Nuclear Information System (INIS)

    Lalli, M.E.; Wasilevsky de Lammirato, C.; Herreros, O.R.; Nassiff, S.J.

    1976-09-01

    Excitation functions and isomeric cross section ratios have been measured for the 107 Ag (d,t), reaction in which the isomeric pair sup(106m/106g)Ag is produced. Thick-target yields have been determined for different irradiation times and as a function of deuteron energy. Stacked silver foils with aluminium foils as monitors were bombarded with deuterons up to 27 MeV and the activities of products measured with a calibrated Ge(Li) counter. (author) [es

  3. Evaluation of the excitation function of the 238U(n,2n)237U reaction for neutron energies from threshold to 19 MeV

    International Nuclear Information System (INIS)

    Kornilov, N.V.; Vinogradov, V.N.; Gay, E.V.; Rabotnov, N.S.; Salnikov, O.A.; Raics, P.; Daroczy, S.; Nagy, S.; Csikai, J.

    1983-01-01

    Experimental results for the 238 U(n,2n) reaction were collected from the literature and evaluated. The normalisation of the measured cross sections was carried out using recent values for the cross sections of standard monitor reactions as well as new nuclear decay data. The evaluated excitation function was then obtained by the Pade-approximation. (Auth.)

  4. A summary of processes relevant for the particle balance of a cold plasma blanket contaminated with a small amount of helium

    International Nuclear Information System (INIS)

    Potters, J.H.H.M.; Goedheer, W.J.

    1982-04-01

    A summary is given of the atomic processes which are relevant for the ionization balance and for the transport in a plasma consisting of hydrogen with a small admixture of helium. Attention is paid mainly to processes in plasmas with temperatures below 100 eV and electron densities between 3x10 13 and 3x10 14 cm -3 conditions which prevail in a so-called cold plasma blanket. The species considered are electrons, protons, hydrogen atoms (ground state and excited), α-particles, He + -ions (ground state and excited), and helium atoms (ground state and excited). The discussed processes are charge exchange, ionization, recombination, (de-) excitation, and elastic scattering

  5. Ionic wave propagation and collision in an excitable circuit model of microtubules

    Science.gov (United States)

    Guemkam Ghomsi, P.; Tameh Berinyoh, J. T.; Moukam Kakmeni, F. M.

    2018-02-01

    In this paper, we report the propensity to excitability of the internal structure of cellular microtubules, modelled as a relatively large one-dimensional spatial array of electrical units with nonlinear resistive features. We propose a model mimicking the dynamics of a large set of such intracellular dynamical entities as an excitable medium. We show that the behavior of such lattices can be described by a complex Ginzburg-Landau equation, which admits several wave solutions, including the plane waves paradigm. A stability analysis of the plane waves solutions of our dynamical system is conducted both analytically and numerically. It is observed that perturbed plane waves will always evolve toward promoting the generation of localized periodic waves trains. These modes include both stationary and travelling spatial excitations. They encompass, on one hand, localized structures such as solitary waves embracing bright solitons, dark solitons, and bisolitonic impulses with head-on collisions phenomena, and on the other hand, the appearance of both spatially homogeneous and spatially inhomogeneous stationary patterns. This ability exhibited by our array of proteinic elements to display several states of excitability exposes their stunning biological and physical complexity and is of high relevance in the description of the developmental and informative processes occurring on the subcellular scale.

  6. Coulomb and nuclear excitations of narrow resonances in 17Ne

    Directory of Open Access Journals (Sweden)

    J. Marganiec

    2016-08-01

    Full Text Available New experimental data for dissociation of relativistic 17Ne projectiles incident on targets of lead, carbon, and polyethylene targets at GSI are presented. Special attention is paid to the excitation and decay of narrow resonant states in 17Ne. Distributions of internal energy in the O15+p+p three-body system have been determined together with angular and partial-energy correlations between the decay products in different energy regions. The analysis was done using existing experimental data on 17Ne and its mirror nucleus 17N. The isobaric multiplet mass equation is used for assignment of observed resonances and their spins and parities. A combination of data from the heavy and light targets yielded cross sections and transition probabilities for the Coulomb excitations of the narrow resonant states. The resulting transition probabilities provide information relevant for a better understanding of the 17Ne structure.

  7. Calculations on the vibrational level density in highly excited formaldehyde

    International Nuclear Information System (INIS)

    Rashev, Svetoslav; Moule, David C.

    2003-01-01

    The object of the present work is to develop a model that provides realistic estimates of the vibrational level density in polyatomic molecules in a given electronic state, at very high (chemically relevant) vibrational excitation energies. For S 0 formaldehyde (D 2 CO), acetylene, and a number of triatomics, the estimates using conventional spectroscopic formulas have yielded densities at the dissociation threshold, very much lower than the experimentally measured values. In the present work we have derived a general formula for the vibrational energy levels of a polyatomic molecule, which is a generalization of the conventional Dunham spectroscopic expansion. Calculations were performed on the vibrational level density in S 0 D 2 CO, H 2 C 2 , and NO 2 at excitation energies in the vicinity of the dissociation limit, using the newly derived formula. The results from the calculations are in reasonable agreement with the experimentally measured data

  8. The triplet excited state of Bodipy: formation, modulation and application.

    Science.gov (United States)

    Zhao, Jianzhang; Xu, Kejing; Yang, Wenbo; Wang, Zhijia; Zhong, Fangfang

    2015-12-21

    Boron dipyrromethene (Bodipy) is one of the most extensively investigated organic chromophores. Most of the investigations are focused on the singlet excited state of Bodipy, such as fluorescence. In stark contrast, the study of the triplet excited state of Bodipy is limited, but it is an emerging area, since the triplet state of Bodipy is tremendously important for several areas, such as the fundamental photochemistry study, photodynamic therapy (PDT), photocatalysis and triplet-triplet annihilation (TTA) upconversion. The recent developments in the study of the production, modulation and application of the triplet excited state of Bodipy are discussed in this review article. The formation of the triplet state of Bodipy upon photoexcitation, via the well known approach such as the heavy atom effect (including I, Br, Ru, Ir, etc.), and the new methods, such as using a spin converter (e.g. C60), charge recombination, exciton coupling and the doubly substituted excited state, are summarized. All the Bodipy-based triplet photosensitizers show strong absorption of visible or near IR light and the long-lived triplet excited state, which are important for the application of the triplet excited state in PDT or photocatalysis. Moreover, the methods for switching (or modulation) of the triplet excited state of Bodipy were discussed, such as those based on the photo-induced electron transfer (PET), by controlling the competing Förster-resonance-energy-transfer (FRET), or the intermolecular charge transfer (ICT). Controlling the triplet excited state will give functional molecules such as activatable PDT reagents or molecular devices. It is worth noting that switching of the singlet excited state and the triplet state of Bodipy may follow different principles. Application of the triplet excited state of Bodipy in PDT, hydrogen (H2) production, photoredox catalytic organic reactions and TTA upconversion were discussed. The challenges and the opportunities in these areas were

  9. Data on environmentally relevant level of aflatoxin B1-induced human dendritic cells' functional alteration

    Directory of Open Access Journals (Sweden)

    Jalil Mehrzad

    2018-06-01

    Full Text Available We assessed the effects of naturally occurring levels of AFB1 on the expression of key immune molecules and function of human monocyte-derived dendritic cells (MDDCs by cell culture, RT-qPCR, and flow cytometry. Data here revealed that an environmentally relevant level of AFB1 led to remarkably weakened key functional capacity of DCs, up-regulation of key transcripts and DCs apoptosis, down-regulation of key phagocytic element, CD64, and creation of pseudolicensing direction of DCs. Flow cytometry data confirmed a damage towards DCs, i.e., increased apoptosis. The detailed data and their mechanistic effects and the outcome are available in this research article (Mehrzad et al., 2018 [1]. The impaired phagocytosis capacity with triggered pseudolicensing direction of MDDCs caused by AFB1 and dysregulation of the key functional genes could provide a mechanistic explanation for the observed in vivo immunotoxicity associated with this mycotoxin. Keywords: AFB1, Apoptosis, AFB1-detoxifying genes, Dendritic cells, Flow cytometry, Functional genes, Immunnoderegulation, Phagocytosis, RT-qPCR

  10. Task-relevant cognitive and motor functions are prioritized during prolonged speed-accuracy motor task performance.

    Science.gov (United States)

    Solianik, Rima; Satas, Andrius; Mickeviciene, Dalia; Cekanauskaite, Agne; Valanciene, Dovile; Majauskiene, Daiva; Skurvydas, Albertas

    2018-06-01

    This study aimed to explore the effect of prolonged speed-accuracy motor task on the indicators of psychological, cognitive, psychomotor and motor function. Ten young men aged 21.1 ± 1.0 years performed a fast- and accurate-reaching movement task and a control task. Both tasks were performed for 2 h. Despite decreased motivation, and increased perception of effort as well as subjective feeling of fatigue, speed-accuracy motor task performance improved during the whole period of task execution. After the motor task, the increased working memory function and prefrontal cortex oxygenation at rest and during conflict detection, and the decreased efficiency of incorrect response inhibition and visuomotor tracking were observed. The speed-accuracy motor task increased the amplitude of motor-evoked potentials, while grip strength was not affected. These findings demonstrate that to sustain the performance of 2-h speed-accuracy task under conditions of self-reported fatigue, task-relevant functions are maintained or even improved, whereas less critical functions are impaired.

  11. Electron impact excitation and ionization of laser-excited sodium atoms Na*(7d)

    International Nuclear Information System (INIS)

    Nienhaus, J.; Dorn, A.; Mehlhorn, W.; Zatsarinny, O.I.

    1997-01-01

    We have investigated the ejected-electron spectrum following impact excitation and ionization of laser-excited Na * (nl) atoms by 1.5 keV electrons. By means of two-laser excitation 3s → 3p 3/2 → 7d and subsequent cascading transitions about 8% (4%) of the target atoms were in excited states with n > 3 (7d). The experimental ejected-electron spectrum due to the decay of Auger and autoionization states of laser-excited atoms Na * (nl) with n = 4-7 has been fully interpreted by comprehensive calculations of the energies, cross sections and decay probabilities of the corresponding states. The various processes contributing to the ejected-electron spectrum are with decreasing magnitude: 2s ionization leading to 2s2p 6 nl Auger states, 2p → 3s excitation leading to 2p 5 3s( 1 P)nl autoionization states and 2s → 3l' excitation leading to 2s2p 6 3l'( 1 L)nl autoionization states. (Author)

  12. Evaluation of portable Raman spectrometer with 1064 nm excitation for geological and forensic applications.

    Science.gov (United States)

    Vítek, Petr; Ali, Esam M A; Edwards, Howell G M; Jehlička, Jan; Cox, Rick; Page, Kristian

    2012-02-01

    The development of miniaturized Raman instrumentation is in demand for applications relevant to forensic, pharmaceutical and art analyses, as well as geosciences, and planetary exploration. In this study we report on evaluation of a portable dispersive Raman spectrometer equipped with 1064 nm laser excitation. Selected samples from geological, geobiological and forensic areas of interest have been studied from which the advantages, disadvantages and the analytical potential of the instrument are assessed based on a comparison with bench instrumentation and other portable Raman spectrometers using 785 nm excitation. It is demonstrated that the instrument operating with 1064 nm excitation has potential for expanding the number and types of samples that can be measured by miniaturized Raman spectroscopy without interfering fluorescence background emission. It includes inorganic and organic minerals, biomolecules within living lichen and endolithic cyanobacteria as well as drugs of abuse and explosives. Copyright © 2011 Elsevier B.V. All rights reserved.

  13. Deexcitation of single excited nuclei in the QMD model

    International Nuclear Information System (INIS)

    Mueller, W.; Begemann-Blaich, M.; Aichelin, J.

    1992-10-01

    We investigate the emission pattern of a single excited nucleus in the QMD model and compare the results with several statistical and phenomenological models. We find that the number of intermediate mass fragments as a function of the excitation energy is in very good agreement with the results of statistical models in which the emission pattern is governed by phase space only. This allows two conclusions: (a) The microscopic dynamical description of the disintegration of static excited nuclei in the QMD yields directly the emission pattern expected from phase space decay. This is the case despite of the fact that nuclear level densities are not given directly but are modeled semiclassically by the nucleon-nucleon interaction. Thus there is no need to supplement the QMD calculations by an additional evaporation model. (b) Differences between the QMD results and the data are not due to insufficiencies in the description of the disintegration of excited systems. Thus other possible reasons, like a substantial change of the free cross section in the nuclear environment have to be investigated. (orig.)

  14. Hanle effect at forward scattering in excited media

    International Nuclear Information System (INIS)

    Veklenko, B.A.

    2001-01-01

    One introduces a new method to calculate matrix of density of quantized electromagnetic field interacting with environment with kinetic processes in the medium. This method alongside with the accurate account of photon-photon quantum correlators has a number of symmetry features essentially facilitating summing up of appearing Feynman diagrams. Forward scattering of resonance radiation by gas two-level atoms within magnetic field was studied as a supplement. It is shown that inadequacy of semiclassical description of this coherent process in the excited media using unique tensor factor of refraction follows from quantum electrodynamics. One more function depending on frequency of irradiation and on concentration of excited atoms should be introduced [ru

  15. Calculations for the excitation functions of the 63Cup, n63Zn, 63Cup, 2n62Zn and 65Cup, n65Zn reactions

    International Nuclear Information System (INIS)

    Gul, K.

    2001-01-01

    Calculations for the excitation functions of 63 Cup, n 63 Zn, 63 Cup, 2n 62 Zn and 65 Cup, n 65 Zn reactions have been carried out in 3-30 MeV energy range using statistical and pre-equilibrium nuclear reaction models. The calculations have been compared with reported measurements and discussed

  16. Stick-Slip Analysis of a Drill String Subjected to Deterministic Excitation and Stochastic Excitation

    Directory of Open Access Journals (Sweden)

    Hongyuan Qiu

    2016-01-01

    Full Text Available Using a finite element model, this paper investigates the torsional vibration of a drill string under combined deterministic excitation and random excitation. The random excitation is caused by the random friction coefficients between the drill bit and the bottom of the hole and assumed as white noise. Simulation shows that the responses under random excitation become random too, and the probabilistic distribution of the responses at each discretized time instant is obtained. The two points, entering and leaving the stick stage, are examined with special attention. The results indicate that the two points become random under random excitation, and the distributions are not normal even when the excitation is assumed as Gaussian white noise.

  17. Casimir interaction between gas media of excited atoms

    International Nuclear Information System (INIS)

    Sherkunov, Yury

    2007-01-01

    The retarded dispersion interaction (Casimir interaction) between two dilute dielectric media at high temperatures is considered. The excited atoms are taken into account. It is shown that the perturbation technique cannot be applied to this problem due to divergence of integrals. A non-perturbative approach based on kinetic Green functions is implemented. We consider the interaction between two atoms (one of them is excited) embedded in an absorbing dielectric medium. We take into account the possible absorption of photons in the medium, which solves the problem of divergence. The force between two plane dilute dielectric media is calculated at pair interaction approximation. We show that the result of quantum electrodynamics differs from the Lifshitz formula for dilute gas media at high temperatures (if the number of excited atoms is significant). According to quantum electrodynamics, the interaction may be either attractive or repulsive depending on the temperature and the density numbers of the media

  18. Nonadiabatic excited-state molecular dynamics: On-the-fly limiting of essential excited states

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, Tammie [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Naumov, Artem [Skolkovo Institute of Science and Technology, Moscow 143026 (Russian Federation); Fernandez-Alberti, Sebastian [Universidad Nacional de Quilmes, Roque Saenz Pea 352, B1876BXD Bernal (Argentina); Tretiak, Sergei, E-mail: serg@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2016-12-20

    The simulation of nonadiabatic dynamics in extended molecular systems involving hundreds of atoms and large densities of states is particularly challenging. Nonadiabatic coupling terms (NACTs) represent a significant numerical bottleneck in surface hopping approaches. Rather than using unreliable NACT cutting schemes, here we develop “on-the-fly” state limiting methods to eliminate states that are no longer essential for the non-radiative relaxation dynamics as a trajectory proceeds. We propose a state number criteria and an energy-based state limit. The latter is more physically relevant by requiring a user-imposed energy threshold. For this purpose, we introduce a local kinetic energy gauge by summing contributions from atoms within the spatial localization of the electronic wavefunction to define the energy available for upward hops. The proposed state limiting schemes are implemented within the nonadiabatic excited-state molecular dynamics framework to simulate photoinduced relaxation in poly-phenylene vinylene (PPV) and branched poly-phenylene ethynylene (PPE) oligomers for benchmark evaluation.

  19. Electron-excited molecule interactions

    International Nuclear Information System (INIS)

    Christophorou, L.G.; Tennessee Univ., Knoxville, TN

    1991-01-01

    In this paper the limited but significant knowledge to date on electron scattering from vibrationally/rotationally excited molecules and electron scattering from and electron impact ionization of electronically excited molecules is briefly summarized and discussed. The profound effects of the internal energy content of a molecule on its electron attachment properties are highlighted focusing in particular on electron attachment to vibrationally/rotationally and to electronically excited molecules. The limited knowledge to date on electron-excited molecule interactions clearly shows that the cross sections for certain electron-molecule collision processes can be very different from those involving ground state molecules. For example, optically enhanced electron attachment studies have shown that electron attachment to electronically excited molecules can occur with cross sections 10 6 to 10 7 times larger compared to ground state molecules. The study of electron-excited molecule interactions offers many experimental and theoretical challenges and opportunities and is both of fundamental and technological significance. 54 refs., 15 figs

  20. Excited-state intramolecular proton transfer of 2-acetylindan-1,3-dione studied by ultrafast absorption and fluorescence spectroscopy

    Directory of Open Access Journals (Sweden)

    Pramod Kumar Verma

    2016-03-01

    Full Text Available We employ transient absorption from the deep-UV to the visible region and fluorescence upconversion to investigate the photoinduced excited-state intramolecular proton-transfer dynamics in a biologically relevant drug molecule, 2-acetylindan-1,3-dione. The molecule is a ß-diketone which in the electronic ground state exists as exocyclic enol with an intramolecular H-bond. Upon electronic excitation at 300 nm, the first excited state of the exocyclic enol is initially populated, followed by ultrafast proton transfer (≈160 fs to form the vibrationally hot endocyclic enol. Subsequently, solvent-induced vibrational relaxation takes place (≈10 ps followed by decay (≈390 ps to the corresponding ground state.

  1. Excitation functions of parameters in Erlang distribution, Schwinger mechanism, and Tsallis statistics in RHIC BES program

    International Nuclear Information System (INIS)

    Gao, Li-Na; Liu, Fu-Hu; Lacey, Roy A.

    2016-01-01

    Experimental results of the transverse-momentum distributions of φ mesons and Ω hyperons produced in gold-gold (Au-Au) collisions with different centrality intervals, measured by the STAR Collaboration at different energies (7.7, 11.5, 19.6, 27, and 39 GeV) in the beam energy scan (BES) program at the relativistic heavy-ion collider (RHIC), are approximately described by the single Erlang distribution and the two-component Schwinger mechanism. Moreover, the STAR experimental transverse-momentum distributions of negatively charged particles, produced in Au-Au collisions at RHIC BES energies, are approximately described by the two-component Erlang distribution and the single Tsallis statistics. The excitation functions of free parameters are obtained from the fit to the experimental data. A weak softest point in the string tension in Ω hyperon spectra is observed at 7.7 GeV. (orig.)

  2. a simple a simple excitation control excitation control excitation

    African Journals Online (AJOL)

    eobe

    field voltages determined follow a simple quadratic relationship that offer a very simple control scheme, dependent on only the stator current. Keywords: saturated reactances, no-load field voltage, excitation control, synchronous generators. 1. Introduction. Introduction. Introduction. The commonest generator in use today is ...

  3. Excited states v.6

    CERN Document Server

    Lim, Edward C

    1982-01-01

    Excited States, Volume 6 is a collection of papers that discusses the excited states of molecules. The first paper discusses the linear polyene electronic structure and potential surfaces, considering both the theoretical and experimental approaches in such electronic states. This paper also reviews the theory of electronic structure and cites some experimental techniques on polyene excitations, polyene spectroscopic phenomenology, and those involving higher states of polyenes and their triplet states. Examples of these experimental studies of excited states involve the high-resolution one-pho

  4. How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study.

    Science.gov (United States)

    Komoto, Keenan T; Kowalczyk, Tim

    2016-10-06

    To support the development and characterization of chromophores with targeted photophysical properties, excited-state electronic structure calculations should rapidly and accurately predict how derivatization of a chromophore will affect its excitation and emission energies. This paper examines whether a time-independent excited-state density functional theory (DFT) approach meets this need through a case study of BODIPY chromophore photophysics. A restricted open-shell Kohn-Sham (ROKS) treatment of the S 1 excited state of BODIPY dyes is contrasted with linear-response time-dependent density functional theory (TDDFT). Vertical excitation energies predicted by the two approaches are remarkably different due to overestimation by TDDFT and underestimation by ROKS relative to experiment. Overall, ROKS with a standard hybrid functional provides the more accurate description of the S 1 excited state of BODIPY dyes, but excitation energies computed by the two methods are strongly correlated. The two approaches also make similar predictions of shifts in the excitation energy upon functionalization of the chromophore. TDDFT and ROKS models of the S 1 potential energy surface are then examined in detail for a representative BODIPY dye through molecular dynamics sampling on both model surfaces. We identify the most significant differences in the sampled surfaces and analyze these differences along selected normal modes. Differences between ROKS and TDDFT descriptions of the S 1 potential energy surface for this BODIPY derivative highlight the continuing need for validation of widely used approximations in excited state DFT through experimental benchmarking and comparison to ab initio reference data.

  5. Dual-excitation upconverting nanoparticle and quantum dot aptasensor for multiplexed food pathogen detection.

    Science.gov (United States)

    Kurt, Hasan; Yüce, Meral; Hussain, Babar; Budak, Hikmet

    2016-07-15

    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 spectroscopy, Circular Dichroism spectroscopy, Dynamic Light Scattering and Polyacrylamide Gel Electrophoresis techniques were used to characterize the aptamer probes developed. The target-specific luminescent conjugates were applied for multiplex detection of model food pathogens, Salmonella typhimurium, and Staphylococcus aureus, in which the fluorescent emission spectra were obtained under UV excitation at 325nm for quantum dots and NIR excitation at 980nm for upconverting nanoparticles, respectively. The dual-excitation strategy was aimed to minimize cross-talk between the luminescent signals for multiplexed detection, and yielded limit of detection values of 16 and 28cfumL(-1) for Staphylococcus aureus, and Salmonella typhimurium, respectively. By employing a greater number of quantum dots and upconverting nanoparticles with non-overlapping fluorescent emissions, the proposed methodology might be exploited further to detect several analytes, simultaneously. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Embedding potentials for excited states of embedded species

    International Nuclear Information System (INIS)

    Wesolowski, Tomasz A.

    2014-01-01

    Frozen-Density-Embedding Theory (FDET) is a formalism to obtain the upper bound of the ground-state energy of the total system and the corresponding embedded wavefunction by means of Euler-Lagrange equations [T. A. Wesolowski, Phys. Rev. A 77(1), 012504 (2008)]. FDET provides the expression for the embedding potential as a functional of the electron density of the embedded species, electron density of the environment, and the field generated by other charges in the environment. Under certain conditions, FDET leads to the exact ground-state energy and density of the whole system. Following Perdew-Levy theorem on stationary states of the ground-state energy functional, the other-than-ground-state stationary states of the FDET energy functional correspond to excited states. In the present work, we analyze such use of other-than-ground-state embedded wavefunctions obtained in practical calculations, i.e., when the FDET embedding potential is approximated. Three computational approaches based on FDET, that assure self-consistent excitation energy and embedded wavefunction dealing with the issue of orthogonality of embedded wavefunctions for different states in a different manner, are proposed and discussed

  7. Atomic excitation and molecular dissociation by low energy electron collisions

    International Nuclear Information System (INIS)

    Weyland, Marvin

    2016-01-01

    In this work, momentum imaging experiments have been conducted for the electron impact excitation of metastable states in noble gases and for dissociative electron attachment (DEA) in polyatomic molecules. For the electron impact excitation study a new experimental technique has been developed which is able to measure the scattering angle distribution of the electrons by detection of the momentum transfer to the atoms. Momentum transfer images have been recorded for helium and neon at fixed electron impact energy close to the excitation threshold and good agreement with current R-matrix theory calculations was found. A new momentum imaging apparatus for negative ions has been built for the purpose of studying DEA in biologically relevant molecules. During this work, DEA was investigated in the molecules ammonia, water, formic acid, furan, pyridine and in two chlorofluorocarbons. Furthermore, the change of DEA resonance energies when molecules form clusters compared to monomers was investigated in ammonia and formic acid. The experimental results of most studied molecules could be compared to recent theoretical calculations and they support further development in the theoretical description of DEA. The new apparatus built in this work also delivered a superior momentum resolution compared to existing setups. This allows the momentum imaging of heavier fragments and fragments with lower kinetic energy.

  8. Atomic excitation and molecular dissociation by low energy electron collisions

    Energy Technology Data Exchange (ETDEWEB)

    Weyland, Marvin

    2016-11-16

    In this work, momentum imaging experiments have been conducted for the electron impact excitation of metastable states in noble gases and for dissociative electron attachment (DEA) in polyatomic molecules. For the electron impact excitation study a new experimental technique has been developed which is able to measure the scattering angle distribution of the electrons by detection of the momentum transfer to the atoms. Momentum transfer images have been recorded for helium and neon at fixed electron impact energy close to the excitation threshold and good agreement with current R-matrix theory calculations was found. A new momentum imaging apparatus for negative ions has been built for the purpose of studying DEA in biologically relevant molecules. During this work, DEA was investigated in the molecules ammonia, water, formic acid, furan, pyridine and in two chlorofluorocarbons. Furthermore, the change of DEA resonance energies when molecules form clusters compared to monomers was investigated in ammonia and formic acid. The experimental results of most studied molecules could be compared to recent theoretical calculations and they support further development in the theoretical description of DEA. The new apparatus built in this work also delivered a superior momentum resolution compared to existing setups. This allows the momentum imaging of heavier fragments and fragments with lower kinetic energy.

  9. Radial excitations in nucleon-nucleon scattering

    International Nuclear Information System (INIS)

    Silvestre-Brac, B.; Carbonell, J.; Gignoux, C.

    1986-01-01

    In the non-relativistic constituent quark model, the role of the radial excitations of the nucleon is studied within a resonating group approach of the nucleon-nucleon scattering. It is shown that, rather than the inclusion of new channels, it is important to include mixed-symmetry spin-isospin components in the nucleon wave function. It is also found that during the collision there is no significant deformation of the nucleon. (orig.)

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

    Science.gov (United States)

    Raeber, Alexandra E; Wong, Bryan M

    2015-05-12

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

  11. Theory of g-shift and linewidth in CeP excited state EPR

    International Nuclear Information System (INIS)

    Yang, D.; Cooper, B.R.; Huang, C.Y.; Sugawara, K.

    1979-01-01

    The Mori-Zwanzig memory function formalism was used to analyze the observed excited state EPR mode in CeP. The mixing of the Zeeman-split crystal-field excitation by the exchange, particularly among those with degenerate frequencies, yields a normal mode determining the observed low-frequency spectrum. This is illustrated by calculation with Heisenberg exchange which yields a single peak in qualitative agreement with the experiment

  12. Multi-frequency excitation

    KAUST Repository

    Younis, Mohammad I.

    2016-01-01

    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

  13. Spatially improved operators for excited hadrons on the lattice

    International Nuclear Information System (INIS)

    Burch, Tommy; Gattringer, Christof; Schaefer, Andreas; Glozman, Leonid Ya.; Kleindl, Reinhard; Lang, C.B.

    2004-01-01

    We present a new approach for determining spatially optimized operators that can be used for lattice spectroscopy of excited hadrons. Jacobi smeared quark sources with different widths are combined to construct hadron operators with different spatial wave functions. We use the variational method to determine those linear combinations of operators that have optimal overlap with ground and excited states. The details of the new approach are discussed and we demonstrate the power of the method using examples from quenched baryon and meson spectroscopy. In particular, we study the Roper state and ρ(1450) and discuss some physical implications of our tests

  14. Study on the excited diatomic molecules of rare gas

    International Nuclear Information System (INIS)

    Kasama, Kunihiko; Arai, Shigeyoshi

    1981-01-01

    The study on the excited diatomic molecules of rare gas is presented. The absorption spectra, the mechanism of formation and attenuation and the reactions with other molecules are described. The excitation of rare gas was made by using a pulsed electron beam generator. The absorption of excited diatomic molecules was measured as the functions of time. Two absorption peaks were observed. The electron states of rare gases were estimated. The observed and calculated transition values were given for each peak. The absorption spectra of Ne change with time. The spectra of Ar do not change with time. Four and eleven absorption maxima were seen in the spectra of Kr and Xe, respectively. In the case of Ar, the thermal equilibrium existed. The constants of the production and attenuation rates were obtained as the functions of Ar gas pressure. In the case of Ne, there wad definitely the time dependence of absorption spectra. The attenuation constant was obtained for each transition between various vibration levels. It is necessary to consider the relaxation from high vibrational levels. The energy transfer between vibrational levels hardly occurred in Ne because the intervals are large. When there are other molecules, the attnuation was accelerated. (Kato, T.)

  15. An old test for new neurons: refining the Morris water maze to study the functional relevance of adult hippocampal neurogenesis

    Directory of Open Access Journals (Sweden)

    Alexander eGarthe

    2013-05-01

    Full Text Available The Morris water maze represents the de-facto standard for testing hippocampal function in laboratory rodents. In the field of adult hippocampal neurogenesis, however, using this paradigm to assess the functional relevance of the new neurons yielded surprisingly inconsistent results. While some authors found aspects of water maze performance to be linked to adult neurogenesis, others obtained different results or could not demonstrate any effect of manipulating adult neurogenesis.In this review we discuss evidence that the large diversity of protocols and setups used is an important aspect in interpreting the differences in the results that have been obtained. Even simple parameters such as pool size, number and configuration of visual landmarks, or number of trials can become highly relevant for getting the new neurons involved at all. Sets of parameters are often chosen with implicit or explicit concepts in mind and these might lead to different views on the function of adult-generated neurons.We propose that the classical parameters usually used to measure spatial learning performance in the water maze might not be particularly well suited to sensitively and specifically detect the supposedly highly specific functional changes elicited by the experimental modulation of adult hippocampal neurogenesis. As adult neurogenesis is supposed to affect specific aspects of information processing only in the hippocampus, any claim for a functional relevance of the new neurons has to be based on hippocampus-specific parameters. We also placed a special emphasis on the fact that the DG facilitates the differentiation between contexts as opposed to just differentiating places.In conclusion, while the Morris water maze has proven to be one of the most effective testing paradigms to assess hippocampus-dependent spatial learning, new and more specific questions ask for new parameters. Therefore, the full potential of the water maze task remains to be tapped.

  16. Resonances in photoionization. Cross section for vibrationally excited H2

    International Nuclear Information System (INIS)

    Mezei, J.Zs.; Jungen, Ch.

    2011-01-01

    Complete text of publication follows. Diatomic molecular Hydrogen is the most abundant molecule in interstellar molecular clouds. The modeling of these environments relies on accurate cross sections for the various relevant processes. Among them, the photoionization plays a major role in the kinetics and in the energy exchanges involving H 2 . The recent discovery of vibrationally excited molecular hydrogen in extragalactic environments revealed the need for accurate evaluation of the corresponding photoionization cross sections. In the present work we report theoretical photoionization cross sections for excitation from excited vibrational levels of the ground state, dealing with the Q(N = 1) (ΔN = 0, where N is the total angular momentum of the molecule) transitions which account for roughly one third of the total photoabsorption cross section. We will focus on the v' = 1 excited level of the ground electronic state. Our calculations are based on Multichannel Quantum Defect Theory (MQDT), which allows us to take into account of the full manifold of Rydberg states and their interactions with the electronic continuum. We have carried out two types of MQDT calculations. First, we omitted all open channels and calculated energy levels, wave functions and spontaneous emission Einstein coefficients, making use of the theoretical method presented in [2]. In a second set of calculations we included the open ionization channels in the computations getting the continuum phase shifts, channel mixing coefficients and channel dipole moments and finally the photoabsorption/ photoionization cross section. The cross section is dominated by the presence of resonance structures corresponding to excitation of various vibrational levels of bound electronic states which lie above the ionization threshold. In order to assess the importance of the resonances we have calculated for each vibrational interval (the energy interval between two consecutive ionization thresholds) the

  17. 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.

  18. Excited charmed mesons

    International Nuclear Information System (INIS)

    Butler, J.N.; Shukla, S.

    1995-05-01

    The experimental status of excited charmed mesons is reviewed and is compared to theoretical expectations. Six states have been observed and their properties are consistent with those predicted for excited charmed states with orbital angular momentum equal to one

  19. Collective excitations in a superfluid of color-flavor locked quark matter

    International Nuclear Information System (INIS)

    Fukushima, Kenji; Iida, Kei

    2005-01-01

    We investigate collective excitations coupled with baryon density in a system of massless three-flavor quarks in the collisionless regime. By using the Nambu-Jona-Lasinio (NJL) model in the mean-field approximation, we field-theoretically derive the spectra both for the normal and color-flavor locked (CFL) superfluid phases at zero temperature. In the normal phase, we obtain usual zero sound as a low-lying collective mode in the particle-hole (vector) channel. In the CFL phase, the nature of collective excitations varies in a way dependent on whether the excitation energy, ω, is larger or smaller than the threshold given by twice the pairing gap Δ, at which pair excitations with nonzero total momentum become allowed to break up into two quasiparticles. For ω H =1/√(3) in the low momentum regime; the decay constant f H obtained in the NJL model is identical with the QCD result obtained in the mean-field approximation. We also find that, as the momentum of the phonon increases, the excitation energy goes up and asymptotically approaches ω=2Δ. Above the threshold for pair excitations (ω>2Δ), zero sound manifests itself in the vector channel. By locating the zero sound pole of the vector propagator in the complex energy plane, we investigate the attenuation and energy dispersion relation of zero sound. In the long wavelength limit, the phonon mode, the only low-lying excitation, has its spectral weight in the H channel alone, while the spectral function vanishes in the vector channel. This is due to nontrivial mixing between the H and vector channels in the superfluid medium. We finally extend our study to the case of nonzero temperature. We demonstrate how Landau damping smears the phonon peak in the finite temperature spectral function. We find a pure imaginary pole of the H propagator in the complex energy plane, which can be identified as a diffusive mode responsible for the Landau damping. From the pole position we derive the thermal diffusion constant

  20. Electric quadrupole excitation of the first excited state of 11B

    International Nuclear Information System (INIS)

    Fewell, M.P.; Spear, R.H.; Zabel, T.H.; Baxter, A.M.

    1980-02-01

    The Coulomb excitation of backscattered 11 B projectiles has been used to measure the reduced E2 transition probability B(E2; 3/2 - →1/2 - ) between the 3/2 - ground state and the 1/2 - first excited state of 11 B. It is found that B(E2; 3/2 - →1/2 - ) = 2.1 +- 0.4 e 2 fm 4 , which agrees with shell-model predictions but is a factor of 10 larger than the prediction of the core-excitation model

  1. Magnetic excitations and amplitude fluctuations in insulating cuprates

    Science.gov (United States)

    Chelwani, N.; Baum, A.; Böhm, T.; Opel, M.; Venturini, F.; Tassini, L.; Erb, A.; Berger, H.; Forró, L.; Hackl, R.

    2018-01-01

    We present results from light scattering experiments on three insulating antiferromagnetic cuprates, YBa2Cu3O6.05 , Bi2Sr2YCu2O8 +δ , and La2CuO4 as a function of polarization and excitation energy using samples of the latest generation. From the raw data we derive symmetry-resolved spectra. The spectral shape in B1 g symmetry is found to be nearly universal and independent of excitation energy. The spectra agree quantitatively with predictions by field theory [Eur. Phys. J. B 88, 237 (2015), 10.1140/epjb/e2015-60438-1] facilitating the precise extraction of the Heisenberg coupling J . In addition, the asymmetric lineshape on the high-energy side is found to be related to amplitude fluctuations of the magnetization. In La2CuO4 alone, minor contributions from resonance effects may be identified. The spectra in the other symmetries are not universal. The variations may be traced back to weak resonance effects and extrinsic contributions. For all three compounds we find support for the existence of chiral excitations appearing as a continuum in A2 g symmetry having an onset slightly below 3 J . In La2CuO4 an additional isolated excitation appears on top of the A2 g continuum.

  2. Excited electronic states of MnO{sub 4}{sup −}: Challenges for wavefunction and density functional response theories

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, Nuno M.S.; McKinlay, Russell G.; Paterson, Martin J., E-mail: m.j.paterson@hw.ac.uk

    2015-01-13

    Highlights: • Linear response coupled cluster hierarchy CCS, CC2, CCSD, CC3 applied to lowest excited states of MnO{sub 4}{sup −}. • Unphysical results obtained for approximate CCn methods. • Failure traced to very large singles amplitudes. • HF and RASSCF calculations on ground state show strong correlations give very poor HF single particle picture. • TD-CAM-B3LYP describes LMCT states with reasonable accuracy. - Abstract: The lowest excited electronic states of the permanganate ion MnO{sub 4}{sup −} are calculated using a hierarchy of coupled cluster response approaches, as well as time-dependent density functional theory. It is shown that while full linear response coupled cluster with singles and doubles (or higher) performs well, that permanganate represents a stern test for approximate coupled cluster response models, and that problems can be traced to very large orbital relaxation effects. TD-DFT is reasonably robust although errors around 0.6 eV are still observed. In order to further investigate the strong correlations prevalent in the electronic ground state large-scale RASSCF calculations were also performed. Again very large orbital relaxation in the correlated wavefunction is observed. Although the system can qualitatively be described by a single configuration, multi-reference diagnostic values show that care must be taken in this and similar metal complexes.

  3. Relative and absolute level populations in beam-foil--excited neutral helium

    International Nuclear Information System (INIS)

    Davidson, J.

    1975-01-01

    Relative and absolute populations of 19 levels in beam-foil--excited neutral helium at 0.275 MeV have been measured. The singlet angular-momentum sequences show dependences on principal quantum number consistent with n -3 , but the triplet sequences do not. Singlet and triplet angular-momentum sequences show similar dependences on level excitation energy. Excitation functions for six representative levels were measured in the range 0.160 to 0.500 MeV. The absolute level populations increase with energy, whereas the neutral fraction of the beam decreases with energy. Further, the P angular-momentum levels are found to be overpopulated with respect to the S and D levels. The overpopulation decreases with increasing principal quantum number

  4. A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states.

    Science.gov (United States)

    Miranda, R P; Fisher, A J; Stella, L; Horsfield, A P

    2011-06-28

    The solution of the time-dependent Schrödinger equation for systems of interacting electrons is generally a prohibitive task, for which approximate methods are necessary. Popular approaches, such as the time-dependent Hartree-Fock (TDHF) approximation and time-dependent density functional theory (TDDFT), are essentially single-configurational schemes. TDHF is by construction incapable of fully accounting for the excited character of the electronic states involved in many physical processes of interest; TDDFT, although exact in principle, is limited by the currently available exchange-correlation functionals. On the other hand, multiconfigurational methods, such as the multiconfigurational time-dependent Hartree-Fock (MCTDHF) approach, provide an accurate description of the excited states and can be systematically improved. However, the computational cost becomes prohibitive as the number of degrees of freedom increases, and thus, at present, the MCTDHF method is only practical for few-electron systems. In this work, we propose an alternative approach which effectively establishes a compromise between efficiency and accuracy, by retaining the smallest possible number of configurations that catches the essential features of the electronic wavefunction. Based on a time-dependent variational principle, we derive the MCTDHF working equation for a multiconfigurational expansion with fixed coefficients and specialise to the case of general open-shell states, which are relevant for many physical processes of interest.

  5. Isomer depletion as experimental evidence of nuclear excitation by electron capture

    Science.gov (United States)

    Chiara, C. J.; Carroll, J. J.; Carpenter, M. P.; Greene, J. P.; Hartley, D. J.; Janssens, R. V. F.; Lane, G. J.; Marsh, J. C.; Matters, D. A.; Polasik, M.; Rzadkiewicz, J.; Seweryniak, D.; Zhu, S.; Bottoni, S.; Hayes, A. B.; Karamian, S. A.

    2018-02-01

    The atomic nucleus and its electrons are often thought of as independent systems that are held together in the atom by their mutual attraction. Their interaction, however, leads to other important effects, such as providing an additional decay mode for excited nuclear states, whereby the nucleus releases energy by ejecting an atomic electron instead of by emitting a γ-ray. This ‘internal conversion’ has been known for about a hundred years and can be used to study nuclei and their interaction with their electrons. In the inverse process—nuclear excitation by electron capture (NEEC)—a free electron is captured into an atomic vacancy and can excite the nucleus to a higher-energy state, provided that the kinetic energy of the free electron plus the magnitude of its binding energy once captured matches the nuclear energy difference between the two states. NEEC was predicted in 1976 and has not hitherto been observed. Here we report evidence of NEEC in molybdenum-93 and determine the probability and cross-section for the process in a beam-based experimental scenario. Our results provide a standard for the assessment of theoretical models relevant to NEEC, which predict cross-sections that span many orders of magnitude. The greatest practical effect of the NEEC process may be on the survival of nuclei in stellar environments, in which it could excite isomers (that is, long-lived nuclear states) to shorter-lived states. Such excitations may reduce the abundance of the isotope after its production. This is an example of ‘isomer depletion’, which has been investigated previously through other reactions, but is used here to obtain evidence for NEEC.

  6. The use of multisine excitations to characterise damage in structures

    Science.gov (United States)

    Vanhoenacker, K.; Schoukens, J.; Guillaume, P.; Vanlanduit, S.

    2004-01-01

    In order to detect the presence of damage and imperfections in materials, a new and promising method for non-destructive material testing has been developed. The technique focuses on the non-linear distortions that are present in the results of a frequency response function (FRF) or transfer function measurement of the sample. The kernel idea in the described method is to use well-chosen periodic excitations where only some of the considered frequency components are excited. The non-excited frequency lines are used to detect, qualify (even or odd non-linear distortions) and quantify (What is the level of the non-linear distortions?) the non-linear distortions. Undamaged materials are often essentially linear in their response. However, the non-linear behaviour of the same material increases significantly when damage appears. The method is applied in the field of damage detection and health monitoring. The method is illustrated by experiments on uncracked and cracked artificial slate beams used in civil constructions and during mechanical cyclic fatigue loading. The developed technique demonstrated to be a very fast and efficient tool to assess global damage in a material.

  7. Dissociative ionization of liquid water induced by vibrational overtone excitation

    International Nuclear Information System (INIS)

    Natzle, W.C.

    1983-03-01

    Photochemistry of vibrationally activated ground electronic state liquid water to produce H + and OH - ions has been initiated by pulsed, single-photon excitation of overtone and combination transitions. Transient conductivity measurements were used to determine quantum yields as a function of photon energy, isotopic composition, and temperature. The equilibrium relaxation rate following perturbation by the vibrationally activated reaction was also measured as a function of temperature reaction and isotopic composition. In H 2 O, the quantum yield at 283 +- 1 K varies from 2 x 10 -9 to 4 x 10 -5 for wave numbers between 7605 and 18140 cm -1 . In D 2 O, the dependence of quantum yield on wavelength has the same qualitative shape as for H 2 O, but is shifted to lower quantum yields. The position of a minimum in the quantum yield versus hydrogen mole fraction curve is consistent with a lower quantum yield for excitation of HOD in D 2 O than for excitation of D 2 O. The ionic recombination distance of 5.8 +- 0.5 A is constant within experimental error with temperature in H 2 O and with isotopic composition at 25 +- 1 0 C

  8. Rapid disinhibition by adjustment of PV intrinsic excitability during whisker map plasticity in mouse S1.

    Science.gov (United States)

    Gainey, Melanie A; Aman, Joseph W; Feldman, Daniel E

    2018-04-20

    Rapid plasticity of layer (L) 2/3 inhibitory circuits is an early step in sensory cortical map plasticity, but its cellular basis is unclear. We show that, in mice of either sex, 1 day whisker deprivation drives rapid loss of L4-evoked feedforward inhibition and more modest loss of feedforward excitation in L2/3 pyramidal (PYR) cells, increasing E-I conductance ratio. Rapid disinhibition was due to reduced L4-evoked spiking by L2/3 parvalbumin (PV) interneurons, caused by reduced PV intrinsic excitability. This included elevated PV spike threshold, associated with an increase in low-threshold, voltage activated delayed rectifier (presumed Kv1) and A-type potassium currents. Excitatory synaptic input and unitary inhibitory output of PV cells were unaffected. Functionally, the loss of feedforward inhibition and excitation were precisely coordinated in L2/3 PYR cells, so that peak feedforward synaptic depolarization remained stable. Thus, rapid plasticity of PV intrinsic excitability offsets early weakening of excitatory circuits to homeostatically stabilize synaptic potentials in PYR cells of sensory cortex. SIGNIFICANCE STATEMENT Inhibitory circuits in cerebral cortex are highly plastic, but the cellular mechanisms and functional importance of this plasticity are incompletely understood. We show that brief (1-day) sensory deprivation rapidly weakens parvalbumin (PV) inhibitory circuits by reducing the intrinsic excitability of PV neurons. This involved a rapid increase in voltage-gated potassium conductances that control near-threshold spiking excitability. Functionally, the loss of PV-mediated feedforward inhibition in L2/3 pyramidal cells was precisely balanced with the separate loss of feedforward excitation, resulting in a net homeostatic stabilization of synaptic potentials. Thus, rapid plasticity of PV intrinsic excitability implements network-level homeostasis to stabilize synaptic potentials in sensory cortex. Copyright © 2018 the authors.

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

    Energy Technology Data Exchange (ETDEWEB)

    Országh, Juraj; Danko, Marián; Čechvala, Peter; Matejčík, Štefan, E-mail: matejcik@fmph.uniba.sk [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University in Bratislava, Mlynská dolina F-2, 842 48 Bratislava (Slovakia)

    2017-05-20

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

  10. Investigations of fluctuation phenomena in the excitation functions of the cross-section by means of polarized particles

    International Nuclear Information System (INIS)

    Henneck, R.

    1976-01-01

    The present work concerns theoretical and experimental investigations of fluctuation phenomena, which appear in the excitation functions of the diff. cross-section and of the analyzing power, when bombarding nuclei with polarized particles in the energy range of strongly overlapping levels. We could show theoretically that model-dependent calculations (or assumptions), necessary for the determination of the relative amount of direct interaction contribution within the statistical model of Ericson, are not necessary for the elastic scattering of polarized spin-1/2- particles from spin-zero-target nuclei, if the additional observable analyzing power is included in the analysis. The proposed, new method hence presents an independent test for the consistency of the Hauser-Feshbach theory and its validity in the domain of strongly overlapping levels. (orig./WL) [de

  11. Community-level microalgal toxicity assessment by multiwavelength-excitation PAM fluorometry

    International Nuclear Information System (INIS)

    Schmitt-Jansen, Mechthild; Altenburger, Rolf

    2008-01-01

    In ecotoxicological studies involving community-level investigations, rapid and multiparametric fluorescence-based methods may provide substantial advantages over traditional methods used for structural and functional community analysis. Therefore, multiwavelength-excitation pulse-amplitude modulated (PAM) fluorometry was applied in this study to assess long-term changes in periphyton community structure, short-term effects on periphyton functioning (photosynthesis) and pollution induced community tolerance (PICT). For inter-calibration, periphyton structure was evaluated by chemotaxonomic analysis of accessory pigments and a four-wavelength-excitation PAM fluorometer. Short-term effects of herbicides were evaluated by fluorescence quenching analysis and 14 C-incorporation as a proxy of primary production. Subsequently, the method was applied to assess structural and functional changes in periphyton communities after isoproturon exposure for 14 and 26 days, respectively. Results showed good correlation of the PAM fluorescence-based measurements with traditional methods for biofilms in the initial colonisation phase for structural and functional parameters. However, for biofilms older than 9 weeks PAM fluorescence may underestimate biomass. Multiwavelength-excitation PAM fluorometry showed good correlation with marker pigment concentrations indicating that this method provides a reliable estimate of the community structure. PAM fluorometry was able to quantify changes of biomass and follow relative shifts in class composition of biofilms under exposure of isoproturon. Short-term tests based on the quantification of the inhibition of the effective quantum yield revealed a concentration-dependent increase of PICT. The observation of two succession phases of the biofilms after 14 and 26 days of growth, respectively, revealed that sensitivity of biofilms decreased with increasing age and biomass, respectively, but PICT remained a characteristic parameter of exposed

  12. Community-level microalgal toxicity assessment by multiwavelength-excitation PAM fluorometry

    Energy Technology Data Exchange (ETDEWEB)

    Schmitt-Jansen, Mechthild [UFZ-Helmholtz Centre for Environmental Research, Department of Bioanalytical Ecotoxicology, Permoserstr. 15, 04318 Leipzig (Germany)], E-mail: Mechthild.Schmitt@ufz.de; Altenburger, Rolf [UFZ-Helmholtz Centre for Environmental Research, Department of Bioanalytical Ecotoxicology, Permoserstr. 15, 04318 Leipzig (Germany)

    2008-01-20

    In ecotoxicological studies involving community-level investigations, rapid and multiparametric fluorescence-based methods may provide substantial advantages over traditional methods used for structural and functional community analysis. Therefore, multiwavelength-excitation pulse-amplitude modulated (PAM) fluorometry was applied in this study to assess long-term changes in periphyton community structure, short-term effects on periphyton functioning (photosynthesis) and pollution induced community tolerance (PICT). For inter-calibration, periphyton structure was evaluated by chemotaxonomic analysis of accessory pigments and a four-wavelength-excitation PAM fluorometer. Short-term effects of herbicides were evaluated by fluorescence quenching analysis and {sup 14}C-incorporation as a proxy of primary production. Subsequently, the method was applied to assess structural and functional changes in periphyton communities after isoproturon exposure for 14 and 26 days, respectively. Results showed good correlation of the PAM fluorescence-based measurements with traditional methods for biofilms in the initial colonisation phase for structural and functional parameters. However, for biofilms older than 9 weeks PAM fluorescence may underestimate biomass. Multiwavelength-excitation PAM fluorometry showed good correlation with marker pigment concentrations indicating that this method provides a reliable estimate of the community structure. PAM fluorometry was able to quantify changes of biomass and follow relative shifts in class composition of biofilms under exposure of isoproturon. Short-term tests based on the quantification of the inhibition of the effective quantum yield revealed a concentration-dependent increase of PICT. The observation of two succession phases of the biofilms after 14 and 26 days of growth, respectively, revealed that sensitivity of biofilms decreased with increasing age and biomass, respectively, but PICT remained a characteristic parameter of exposed

  13. Topics in magnetism: magnetic excitations in insulators

    International Nuclear Information System (INIS)

    Rezende, S.M.

    1975-01-01

    The concept of spin waves is introduced and green's functions formalism is used in connection with thermodynamic properties of ferromagnets. Simple features of magnons in ferromagnetic insulators are discussed and also of those with dipolar and anisotropic contributions in the hamiltonian. Magnons in more complex systems, e.g. antiferromagnetic crystals, are dealt with. Finally, excitation and detection of magnons are also discussed [pt

  14. Optical spectroscopy of orbital and magnetic excitations in vanadates and cuprates

    Energy Technology Data Exchange (ETDEWEB)

    Benckiser, Eva Vera

    2007-10-15

    function of temperature and Ca substitution. We have found J{sub c}=(227{+-}4) meV for SrCuO{sub 2} at low temperatures and no effect on J{sub c} upon Ca-substitution of 10%. Furthermore, we ascertained that the theoretically predicted two-spinon-plus-phonon contribution describes roughly 74-97% of the observed spectral weight. We suggest that the remaining weight has to be ascribed to multi-spinon excitations. To explain the small magnetic absorption features in {sigma}{sub b}({omega}), we sketch a new mechanism which gives rise to a dipole moment perpendicular to the chains when holes are virtually exchanged along the chain. In particular, we point out the possible relevance of this contribution to the optical conductivity of many quasi-1D quantum spin systems. Our data of La{sub 8}Cu{sub 7}O{sub 19} are the first experimental result on the magnetic excitations of n-leg ladders (n>2) at high energies. Amongst others, we compared our data with the well-investigated spectrum of the two-leg ladder and found a surprising resemblance. Although a detailed understanding of the observed line shape of the 5-leg ladder is missing up to now, our data strongly suggest the existence of bound states of magnetic excitations also in this system. The comparison of different low-dimensional S =1/2 systems suggests that the magnetic excitations in the high-energy continua are similar and develop smoothly from 1D to 2D. (orig.)

  15. Spiral-wave dynamics in excitable medium with excitability modulated by rectangle wave

    International Nuclear Information System (INIS)

    Yuan Guo-Yong

    2011-01-01

    We numerically study the dynamics of spiral waves in the excitable system with the excitability modulated by a rectangle wave. The tip trajectories and their variations with the modulation period T are explained by the corresponding spectrum analysis. For a large T, the external modulation leads to the occurrence of more frequency peaks and these frequencies change with the modulation period according to their specific rules, respectively. Some of the frequencies and a primary frequency f 1 determine the corresponding curvature periods, which are locked into rational multiplies of the modulation period. These frequency-locking behaviours and the limited life-span of the frequencies in their variations with the modulation period constitute many resonant entrainment bands in the T axis. In the main bands, which follow the relation T/T 12 = m/n, the size variable R x of the tip trajectory is a monotonic increasing function of T. The rest of the frequencies are linear combinations of the two ones. Due to the complex dynamics, many unique tip trajectories appear at some certain T. We find also that spiral waves are eliminated when T is chosen from the end of the main resonant bands. This offers a useful method of controling the spiral wave. (general)

  16. Multi-photon excited luminescence of magnetic FePt core-shell nanoparticles.

    Science.gov (United States)

    Seemann, K M; Kuhn, B

    2014-07-01

    We present magnetic FePt nanoparticles with a hydrophilic, inert, and biocompatible silico-tungsten oxide shell. The particles can be functionalized, optically detected, and optically manipulated. To show the functionalization the fluorescent dye NOPS was bound to the FePt core-shell nanoparticles with propyl-triethoxy-silane linkers and fluorescence of the labeled particles were observed in ethanol (EtOH). In aqueous dispersion the NOPS fluorescence is quenched making them invisible using 1-photon excitation. However, we observe bright luminescence of labeled and even unlabeled magnetic core-shell nanoparticles with multi-photon excitation. Luminescence can be detected in the near ultraviolet and the full visible spectral range by near infrared multi-photon excitation. For optical manipulation, we were able to drag clusters of particles, and maybe also single particles, by a focused laser beam that acts as optical tweezers by inducing an electric dipole in the insulated metal nanoparticles. In a first application, we show that the luminescence of the core-shell nanoparticles is bright enough for in vivo multi-photon imaging in the mouse neocortex down to cortical layer 5.

  17. Modulation of motor cortex excitability by physical similarity with an observed hand action.

    Directory of Open Access Journals (Sweden)

    Marie-Christine Désy

    Full Text Available The passive observation of hand actions is associated with increased motor cortex excitability, presumably reflecting activity within the human mirror neuron system (MNS. Recent data show that in-group ethnic membership increases motor cortex excitability during observation of culturally relevant hand gestures, suggesting that physical similarity with an observed body part may modulate MNS responses. Here, we ask whether the MNS is preferentially activated by passive observation of hand actions that are similar or dissimilar to self in terms of sex and skin color. Transcranial magnetic stimulation-induced motor evoked potentials were recorded from the first dorsal interosseus muscle while participants viewed videos depicting index finger movements made by female or male participants with black or white skin color. Forty-eight participants equally distributed in terms of sex and skin color participated in the study. Results show an interaction between self-attributes and physical attributes of the observed hand in the right motor cortex of female participants, where corticospinal excitability is increased during observation of hand actions in a different skin color than that of the observer. Our data show that specific physical properties of an observed action modulate motor cortex excitability and we hypothesize that in-group/out-group membership and self-related processes underlie these effects.

  18. Importance of being topologically excited

    International Nuclear Information System (INIS)

    Caldi, D.G.

    1980-08-01

    A class of Euclidean configurations that appear to be dominant in the functional integral of the CP/sup N-1/ models is identified. These configurations are point-like topological excitations, and they may be viewed as constituents of instantons, although they are defined independently of instantons through a continuum duality transformation. Not only do these configurations survive as N → infinity, but in the plasma phase they are responsible for the effects encountered within the 1/N expansion - confinement, theta dependence, and dynamical mass generation

  19. Adaptive Dynamic Surface Control for Generator Excitation Control System

    Directory of Open Access Journals (Sweden)

    Zhang Xiu-yu

    2014-01-01

    Full Text Available For the generator excitation control system which is equipped with static var compensator (SVC and unknown parameters, a novel adaptive dynamic surface control scheme is proposed based on neural network and tracking error transformed function with the following features: (1 the transformation of the excitation generator model to the linear systems is omitted; (2 the prespecified performance of the tracking error can be guaranteed by combining with the tracking error transformed function; (3 the computational burden is greatly reduced by estimating the norm of the weighted vector of neural network instead of the weighted vector itself; therefore, it is more suitable for the real time control; and (4 the explosion of complicity problem inherent in the backstepping control can be eliminated. It is proved that the new scheme can make the system semiglobally uniformly ultimately bounded. Simulation results show the effectiveness of this control scheme.

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

    International Nuclear Information System (INIS)

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

    2008-01-01

    Excitation functions of the nat Ag(p, xn) 104, 105 Cd and nat Ag(p, pxn) 103, 104m,g, 104g Ag 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 103 Ag precursor decay to the total formation of the therapeutic radionuclide 103 Pd in proton activation of silver was estimated: it amounted to about 70%. The various possible routes for the production of 103 Pd were also considered: the nat Ag(p, x) 103 Pd and 103 Rh(p, n) 103 Pd processes were found to be most interesting. Despite its somewhat lower yield, the latter process is preferred because it can be applied at a low-energy cyclotron. (orig.)