Element analysis and calculation of the attenuation coefficients for gold, bronze and water matrixes using MCNP, WinXCom and experimental data

NASA Astrophysics Data System (ADS)

Esfandiari, M.; Shirmardi, S. P.; Medhat, M. E.

2014-06-01

In this study, element analysis and the mass attenuation coefficient for matrixes of gold, bronze and water with various impurities and the concentrations of heavy metals (Cu, Mn, Pb and Zn) are evaluated and calculated by the MCNP simulation code for photons emitted from Barium-133, Americium-241 and sources with energies between 1 and 100 keV. The MCNP data are compared with the experimental data and WinXCom code simulated results by Medhat. The results showed that the obtained results of bronze and gold matrix are in good agreement with the other methods for energies above 40 and 60 keV, respectively. However for water matrixes with various impurities, there is a good agreement between the three methods MCNP, WinXCom and the experimental one in low and high energies.

Multipole expansions and Fock symmetry of the hydrogen atom

NASA Astrophysics Data System (ADS)

Meremianin, A. V.; Rost, J.-M.

2006-10-01

The main difficulty in utilizing the O(4) symmetry of the hydrogen atom in practical calculations is the dependence of the Fock stereographic projection on energy. This is due to the fact that the wavefunctions of the states with different energies are proportional to the hyperspherical harmonics (HSH) corresponding to different points on the hypersphere. Thus, the calculation of the matrix elements reduces to the problem of re-expanding HSH in terms of HSH depending on different points on the hypersphere. We solve this problem by applying the technique of multipole expansions for four-dimensional HSH. As a result, we obtain the multipole expansions whose coefficients are the matrix elements of the boost operator taken between hydrogen wavefunctions (i.e., hydrogen form factors). The explicit expressions for those coefficients are derived. It is shown that the hydrogen matrix elements can be presented as derivatives of an elementary function. Such an operator representation is convenient for the derivation of recurrence relations connecting matrix elements between states corresponding to different values of the quantum numbers n and l.

Shape memory alloy heat engines and energy harvesting systems

DOEpatents

Browne, Alan L; Johnson, Nancy L; Shaw, John Andrew; Churchill, Christopher Burton; Keefe, Andrew C; McKnight, Geoffrey P; Alexander, Paul W; Herrera, Guillermo A; Yates, James Ryan; Brown, Jeffrey W

2014-09-30

A heat engine includes a first rotatable pulley and a second rotatable pulley spaced from the first rotatable pulley. A shape memory alloy (SMA) element is disposed about respective portions of the pulleys at an SMA pulley ratio. The SMA element includes a first wire, a second wire, and a matrix joining the first wire and the second wire. The first wire and the second wire are in contact with the pulleys, but the matrix is not in contact with the pulleys. A timing cable is disposed about respective portions of the pulleys at a timing pulley ratio, which is different than the SMA pulley ratio. The SMA element converts a thermal energy gradient between the hot region and the cold region into mechanical energy.

Grassmann matrix quantum mechanics

DOE PAGES

Anninos, Dionysios; Denef, Frederik; Monten, Ruben

2016-04-21

We explore quantum mechanical theories whose fundamental degrees of freedom are rectangular matrices with Grassmann valued matrix elements. We study particular models where the low energy sector can be described in terms of a bosonic Hermitian matrix quantum mechanics. We describe the classical curved phase space that emerges in the low energy sector. The phase space lives on a compact Kähler manifold parameterized by a complex matrix, of the type discovered some time ago by Berezin. The emergence of a semiclassical bosonic matrix quantum mechanics at low energies requires that the original Grassmann matrices be in the long rectangular limit.more » In conclusion, we discuss possible holographic interpretations of such matrix models which, by construction, are endowed with a finite dimensional Hilbert space.« less

Finite element solution for energy conservation using a highly stable explicit integration algorithm

NASA Technical Reports Server (NTRS)

Baker, A. J.; Manhardt, P. D.

1972-01-01

Theoretical derivation of a finite element solution algorithm for the transient energy conservation equation in multidimensional, stationary multi-media continua with irregular solution domain closure is considered. The complete finite element matrix forms for arbitrarily irregular discretizations are established, using natural coordinate function representations. The algorithm is embodied into a user-oriented computer program (COMOC) which obtains transient temperature distributions at the node points of the finite element discretization using a highly stable explicit integration procedure with automatic error control features. The finite element algorithm is shown to posses convergence with discretization for a transient sample problem. The condensed form for the specific heat element matrix is shown to be preferable to the consistent form. Computed results for diverse problems illustrate the versatility of COMOC, and easily prepared output subroutines are shown to allow quick engineering assessment of solution behavior.

Atypicality of Most Few-Body Observables

NASA Astrophysics Data System (ADS)

Hamazaki, Ryusuke; Ueda, Masahito

2018-02-01

The eigenstate thermalization hypothesis (ETH), which dictates that all diagonal matrix elements within a small energy shell be almost equal, is a major candidate to explain thermalization in isolated quantum systems. According to the typicality argument, the maximum variations of such matrix elements should decrease exponentially with increasing the size of the system, which implies the ETH. We show, however, that the typicality argument does not apply to most few-body observables for few-body Hamiltonians when the width of the energy shell decreases at most polynomially with increasing the size of the system.

Calculating Relativistic Transition Matrix Elements for Hydrogenic Atoms Using Monte Carlo Methods

NASA Astrophysics Data System (ADS)

Alexander, Steven; Coldwell, R. L.

2015-03-01

The nonrelativistic transition matrix elements for hydrogen atoms can be computed exactly and these expressions are given in a number of classic textbooks. The relativistic counterparts of these equations can also be computed exactly but these expressions have been described in only a few places in the literature. In part, this is because the relativistic equations lack the elegant simplicity of the nonrelativistic equations. In this poster I will describe how variational Monte Carlo methods can be used to calculate the energy and properties of relativistic hydrogen atoms and how the wavefunctions for these systems can be used to calculate transition matrix elements.

Collision for Li++He System. I. Potential Curves and Non-Adiabatic Coupling Matrix Elements

NASA Astrophysics Data System (ADS)

Yoshida, Junichi; O-Ohata, Kiyosi

1984-02-01

The potential curves and the non-adiabatic coupling matrix elements for the Li++He collision system were computed. The SCF molecular orbitals were constructed with the CGTO atomic bases centered on each nucleus and the center of mass of two nuclei. The SCF and CI calculations were done at various internuclear distances in the range of 0.1˜25.0 a.u. The potential energies and the wavefunctions were calculated with good approximation over whole internuclear distance. The non-adiabatic coupling matrix elements were calculated with the tentative method in which the ETF are approximately taken into account.

Double Gamow-Teller Transitions and its Relation to Neutrinoless β β Decay

NASA Astrophysics Data System (ADS)

Shimizu, Noritaka; Menéndez, Javier; Yako, Kentaro

2018-04-01

We study the double Gamow-Teller (DGT) strength distribution of 48Ca with state-of-the-art large-scale nuclear shell model calculations. Our analysis shows that the centroid energy of the DGT giant resonance depends mostly on the isovector pairing interaction, while the resonance width is more sensitive to isoscalar pairing. Pairing correlations are also key in neutrinoless β β (0 ν β β ) decay. We find a simple relation between the centroid energy of the 48Ca DGT giant resonance and the 0 ν β β decay nuclear matrix element. More generally, we observe a very good linear correlation between the DGT transition to the ground state of the final nucleus and the 0 ν β β decay matrix element. The correlation, which originates on the dominant short-range character of both transitions, extends to heavier systems including several β β emitters and also holds in energy-density functional results. Our findings suggest that DGT experiments can be a very valuable tool to obtain information on the value of 0 ν β β decay nuclear matrix elements.

Neutrinoless ββ decay mediated by the exchange of light and heavy neutrinos: the role of nuclear structure correlations

NASA Astrophysics Data System (ADS)

Menéndez, J.

2018-01-01

Neutrinoless β β decay nuclear matrix elements calculated with the shell model and energy-density functional theory typically disagree by more than a factor of two in the standard scenario of light-neutrino exchange. In contrast, for a decay mediated by sterile heavy neutrinos the deviations are reduced to about 50%, an uncertainty similar to the one due to short-range effects. We compare matrix elements in the light- and heavy-neutrino-exchange channels, exploring the radial, momentum transfer and angular momentum-parity matrix element distributions, and considering transitions that involve correlated and uncorrelated nuclear states. We argue that the shorter-range heavy-neutrino exchange is less sensitive to collective nuclear correlations, and that discrepancies in matrix elements are mostly due to the treatment of long-range correlations in many-body calculations. Our analysis supports previous studies suggesting that isoscalar pairing correlations, which affect mostly the longer-range part of the neutrinoless β β decay operator, are partially responsible for the differences between nuclear matrix elements in the standard light-neutrino-exchange mechanism.

Fast mean and variance computation of the diffuse sound transmission through finite-sized thick and layered wall and floor systems

NASA Astrophysics Data System (ADS)

Decraene, Carolina; Dijckmans, Arne; Reynders, Edwin P. B.

2018-05-01

A method is developed for computing the mean and variance of the diffuse field sound transmission loss of finite-sized layered wall and floor systems that consist of solid, fluid and/or poroelastic layers. This is achieved by coupling a transfer matrix model of the wall or floor to statistical energy analysis subsystem models of the adjacent room volumes. The modal behavior of the wall is approximately accounted for by projecting the wall displacement onto a set of sinusoidal lateral basis functions. This hybrid modal transfer matrix-statistical energy analysis method is validated on multiple wall systems: a thin steel plate, a polymethyl methacrylate panel, a thick brick wall, a sandwich panel, a double-leaf wall with poro-elastic material in the cavity, and a double glazing. The predictions are compared with experimental data and with results obtained using alternative prediction methods such as the transfer matrix method with spatial windowing, the hybrid wave based-transfer matrix method, and the hybrid finite element-statistical energy analysis method. These comparisons confirm the prediction accuracy of the proposed method and the computational efficiency against the conventional hybrid finite element-statistical energy analysis method.

Finite-element time evolution operator for the anharmonic oscillator

NASA Technical Reports Server (NTRS)

Milton, Kimball A.

1995-01-01

The finite-element approach to lattice field theory is both highly accurate (relative errors approximately 1/N(exp 2), where N is the number of lattice points) and exactly unitary (in the sense that canonical commutation relations are exactly preserved at the lattice sites). In this talk I construct matrix elements for dynamical variables and for the time evolution operator for the anharmonic oscillator, for which the continuum Hamiltonian is H = p(exp 2)/2 + lambda q(exp 4)/4. Construction of such matrix elements does not require solving the implicit equations of motion. Low order approximations turn out to be extremely accurate. For example, the matrix element of the time evolution operator in the harmonic oscillator ground state gives a results for the anharmonic oscillator ground state energy accurate to better than 1 percent, while a two-state approximation reduces the error to less than 0.1 percent.

Structure of the two-neutrino double-β decay matrix elements within perturbation theory

NASA Astrophysics Data System (ADS)

Štefánik, Dušan; Šimkovic, Fedor; Faessler, Amand

2015-06-01

The two-neutrino double-β Gamow-Teller and Fermi transitions are studied within an exactly solvable model, which allows a violation of both spin-isospin SU(4) and isospin SU(2) symmetries, and is expressed with generators of the SO(8) group. It is found that this model reproduces the main features of realistic calculation within the quasiparticle random-phase approximation with isospin symmetry restoration concerning the dependence of the two-neutrino double-β decay matrix elements on isovector and isoscalar particle-particle interactions. By using perturbation theory an explicit dependence of the two-neutrino double-β decay matrix elements on the like-nucleon pairing, particle-particle T =0 and T =1 , and particle-hole proton-neutron interactions is obtained. It is found that double-β decay matrix elements do not depend on the mean field part of Hamiltonian and that they are governed by a weak violation of both SU(2) and SU(4) symmetries by the particle-particle interaction of Hamiltonian. It is pointed out that there is a dominance of two-neutrino double-β decay transition through a single state of intermediate nucleus. The energy position of this state relative to energies of initial and final ground states is given by a combination of strengths of residual interactions. Further, energy-weighted Fermi and Gamow-Teller sum rules connecting Δ Z =2 nuclei are discussed. It is proposed that these sum rules can be used to study the residual interactions of the nuclear Hamiltonian, which are relevant for charge-changing nuclear transitions.

Empirical Monod-Beuneu relation of spin relaxation revisited for elemental metals

NASA Astrophysics Data System (ADS)

Szolnoki, L.; Kiss, A.; Forró, L.; Simon, F.

2014-03-01

Monod and Beuneu [P. Monod and F. Beuneu, Phys. Rev. B 19, 911 (1979), 10.1103/PhysRevB.19.911] established the validity of the Elliott-Yafet theory for elemental metals through correlating the experimental electron spin resonance linewidth with the so-called spin-orbit admixture coefficients and the momentum-relaxation theory. The spin-orbit admixture coefficients data were based on atomic spin-orbit splitting. We highlight two shortcomings of the previous description: (i) the momentum-relaxation involves the Debye temperature and the electron-phonon coupling whose variation among the elemental metals was neglected, (ii) the Elliott-Yafet theory involves matrix elements of the spin-orbit coupling (SOC), which are however not identical to the SOC induced energy splitting of the atomic levels, even though the two have similar magnitudes. We obtain the empirical spin-orbit admixture parameters for the alkali metals by considering the proper description of the momentum relaxation theory. In addition we present a model calculation, which highlights the difference between the SOC matrix element and energy splitting.

Equations of motion for a spectrum-generating algebra: Lipkin Meshkov Glick model

NASA Astrophysics Data System (ADS)

Rosensteel, G.; Rowe, D. J.; Ho, S. Y.

2008-01-01

For a spectrum-generating Lie algebra, a generalized equations-of-motion scheme determines numerical values of excitation energies and algebra matrix elements. In the approach to the infinite particle number limit or, more generally, whenever the dimension of the quantum state space is very large, the equations-of-motion method may achieve results that are impractical to obtain by diagonalization of the Hamiltonian matrix. To test the method's effectiveness, we apply it to the well-known Lipkin-Meshkov-Glick (LMG) model to find its low-energy spectrum and associated generator matrix elements in the eigenenergy basis. When the dimension of the LMG representation space is 106, computation time on a notebook computer is a few minutes. For a large particle number in the LMG model, the low-energy spectrum makes a quantum phase transition from a nondegenerate harmonic vibrator to a twofold degenerate harmonic oscillator. The equations-of-motion method computes critical exponents at the transition point.

Finite-element grid improvement by minimization of stiffness matrix trace

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.; Oswald, Fred B.

1989-01-01

A new and simple method of finite-element grid improvement is presented. The objective is to improve the accuracy of the analysis. The procedure is based on a minimization of the trace of the stiffness matrix. For a broad class of problems this minimization is seen to be equivalent to minimizing the potential energy. The method is illustrated with the classical tapered bar problem examined earlier by Prager and Masur. Identical results are obtained.

Finite-element grid improvement by minimization of stiffness matrix trace

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.; Oswald, Fred B.

1987-01-01

A new and simple method of finite-element grid improvement is presented. The objective is to improve the accuracy of the analysis. The procedure is based on a minimization of the trace of the stiffness matrix. For a broad class of problems this minimization is seen to be equivalent to minimizing the potential energy. The method is illustrated with the classical tapered bar problem examined earlier by Prager and Masur. Identical results are obtained.

Measurement of the top quark mass using the matrix element technique in dilepton final states

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

Abazov, V. M.; Abbott, B.; Acharya, B. S.

Here, we present a measurement of the top quark mass in pp collisions at a center-of-mass energy of 1.96 TeV at the Fermilab Tevatron collider. The data were collected by the D0 experiment corresponding to an integrated luminosity of 9.7 fb -1. The matrix element technique is applied to tt events in the final state containing leptons (electrons or muons) with high transverse momenta and at least two jets. The calibration of the jet energy scale determined in the lepton+jets final state of tt decays is applied to jet energies. This correction provides a substantial reduction in systematic uncertainties. We obtainmore » a top quark mass of m t = 173.93±1.84 GeV.« less

Measurement of the top quark mass using the matrix element technique in dilepton final states

DOE PAGES

Abazov, V. M.; Abbott, B.; Acharya, B. S.; ...

2016-08-18

Here, we present a measurement of the top quark mass in pp collisions at a center-of-mass energy of 1.96 TeV at the Fermilab Tevatron collider. The data were collected by the D0 experiment corresponding to an integrated luminosity of 9.7 fb -1. The matrix element technique is applied to tt events in the final state containing leptons (electrons or muons) with high transverse momenta and at least two jets. The calibration of the jet energy scale determined in the lepton+jets final state of tt decays is applied to jet energies. This correction provides a substantial reduction in systematic uncertainties. We obtainmore » a top quark mass of m t = 173.93±1.84 GeV.« less

Transfer matrix calculation for ion optical elements using real fields

NASA Astrophysics Data System (ADS)

Mishra, P. M.; Blaum, K.; George, S.; Grieser, M.; Wolf, A.

2018-03-01

With the increasing importance of ion storage rings and traps in low energy physics experiments, an efficient transport of ion species from the ion source area to the experimental setup becomes essential. Some available, powerful software packages rely on transfer matrix calculations in order to compute the ion trajectory through the ion-optical beamline systems of high complexity. With analytical approaches, so far the transfer matrices are documented only for a few ideal ion optical elements. Here we describe an approach (using beam tracking calculations) to determine the transfer matrix for any individual electrostatic or magnetostatic ion optical element. We verify the procedure by considering the well-known cases and then apply it to derive the transfer matrix of a 90-degree electrostatic quadrupole deflector including its realistic geometry and fringe fields. A transfer line consisting of a quadrupole deflector and a quadrupole doublet is considered, where the results from the standard first order transfer matrix based ion optical simulation program implementing the derived transfer matrix is compared with the real field beam tracking simulations.

Energy Dissipation of Rayleigh Waves due to Absorption Along the Path by the Use of Finite Element Method

DTIC Science & Technology

1979-07-31

3 x 3 t Strain vector a ij,j Space derivative of the stress tensor Fi Force vector per unit volume o Density x CHAPTER III F Total force K Stiffness...matrix 6Vector displacements M Mass matrix B Space operating matrix DO Matrix moduli 2 x 3 DZ Operating matrix in Z direction N Matrix of shape...dissipating medium the deformation of a solid is a function of time, temperature and space . Creep phenomenon is a deformation process in which there is

Theoretical Modeling of Various Spectroscopies for Cuprates and Topological Insulators

NASA Astrophysics Data System (ADS)

Basak, Susmita

Spectroscopies resolved highly in momentum, energy and/or spatial dimensions are playing an important role in unraveling key properties of wide classes of novel materials. However, spectroscopies do not usually provide a direct map of the underlying electronic spectrum, but act as a complex 'filter' to produce a 'mapping' of the underlying energy levels, Fermi surfaces (FSs) and excitation spectra. The connection between the electronic spectrum and the measured spectra is described as a generalized 'matrix element effect'. The nature of the matrix element involved differs greatly between different spectroscopies. For example, in angle-resolved photoemission (ARPES) an incoming photon knocks out an electron from the sample and the energy and momentum of the photoemitted electron is measured. This is quite different from what happens in K-edge resonant inelastic X-ray scattering (RIXS), where an X-ray photon is scattered after inducing electronic transitions near the Fermi energy through an indirect second order process, or in Compton scattering where the incident X-ray photon is scattered inelastically from an electron transferring energy and momentum to the scattering electron. For any given spectroscopy, the matrix element is, in general, a complex function of the phase space of the experiment, e.g. energy/polarization of the incoming photon and the energy/momentum/spin of the photoemitted electron in the case of ARPES. The matrix element can enhance or suppress signals from specific states, or merge signals of groups of states, making a good understanding of the matrix element effects important for not only a robust interpretation of the spectra, but also for ascertaining optimal regions of the experimental phase space for zooming in on states of the greatest interest. In this thesis I discuss a comprehensive scheme for modeling various highly resolved spectroscopies of the cuprates and topological insulators (TIs) where effects of matrix element, crystal structure, strong electron correlations (for cuprates) and spin-orbit coupling (for TIs) are included realistically in material-specific detail. Turning to the cuprates, in order to obtain a realistic description of various spectroscopies, one must include not only the effects of the matrix elements and the complexity of the crystal structure, but also of strong electronic correlations beyond the local density approximation (LDA)-based conventional picture, so that the physics of kinks, pseudogaps and superconductivity can be taken into account properly. In this connection, a self-consistent, intermediate coupling scheme informed by material-specific, first-principles band structures has been developed, where electron correlation effects beyond the LDA are incorporated via appropriate self-energy corrections to the electron and hole one-particle Green's functions. Here the antiferromagnetic (AFM) order is used as the simplest model of a competing order. A number of salient features of the resulting electronic spectrum and its energy, momentum and doping dependencies are in accord with experimental observations in electron as well as hole doped cuprates. This scheme thus provides a reasonable basis for undertaking a comprehensive, beyond-LDA level of modeling of various spectroscopies. The specific topics considered here are: (i) Origin of high-energy kink or the waterfall effect found in ARPES; (ii) Identification of the three energy scales observed in RIXS spectra as the pseudogap, charge transfer gap, and Mott gap; (iii) Evolution of the electron momentum densities with holedoping as seen in Compton scattering experiments. For three dimensional topological insulators, the ARPES and scanning tunneling microscopy (STM) spectra has been analyzed using a tight-binding model as well as a k · p model. The spin-orbit coupling, which is essential to produce the characteristic features of the surface states of a TI, is included realistically in the above models. In our generalized k · p model Dresselhaus spin-orbit coupling term extends up to fifth order to reproduce the correct spin-polarization of the surface electrons. These model calculations explain a number of important features associated with the energy and spins of the surface electrons of the first and second generations of TIs. The specific issues addressed in this article are: (i) Non-orthogonality between spin and momentum of the surface electrons; (ii) Electron dynamics at the TI-metal interface; (iii) Origin of the broken time-reversal symmetry observed in the Fourier transform scanning tunneling spectroscopy.

Top Quark Mass Measurement in the Lepton + Jets Channel Using a Matrix Element Method and \\textit{in situ} Jet Energy Calibration

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

Aaltonen, T.; /Helsinki Inst. of Phys.; Alvarez Gonzalez, B.

A precision measurement of the top quark mass m{sub t} is obtained using a sample of t{bar t} events from p{bar p} collisions at the Fermilab Tevatron with the CDF II detector. Selected events require an electron or muon, large missing transverse energy, and exactly four high-energy jets, at least one of which is tagged as coming from a b quark. A likelihood is calculated using a matrix element method with quasi-Monte Carlo integration taking into account finite detector resolution and jet mass effects. The event likelihood is a function of m{sub t} and a parameter {Delta}{sub JES} used tomore » calibrate the jet energy scale in situ. Using a total of 1087 events, a value of m{sub t} = 173.0 {+-} 1.2 GeV/c{sup 2} is measured.« less

Top Quark Mass Measurement in the lepton+jets Channel Using a Matrix Element Method and in situ Jet Energy Calibration

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

Aaltonen, T.; Brucken, E.; Devoto, F.

A precision measurement of the top quark mass m{sub t} is obtained using a sample of tt events from pp collisions at the Fermilab Tevatron with the CDF II detector. Selected events require an electron or muon, large missing transverse energy, and exactly four high-energy jets, at least one of which is tagged as coming from a b quark. A likelihood is calculated using a matrix element method with quasi-Monte Carlo integration taking into account finite detector resolution and jet mass effects. The event likelihood is a function of m{sub t} and a parameter {Delta}{sub JES} used to calibrate themore » jet energy scale in situ. Using a total of 1087 events in 5.6 fb{sup -1} of integrated luminosity, a value of m{sub t}=173.0{+-}1.2 GeV/c{sup 2} is measured.« less

Neutrino nuclear responses for double beta decays and astro neutrinos by charge exchange reactions

NASA Astrophysics Data System (ADS)

Ejiri, Hiroyasu

2014-09-01

Neutrino nuclear responses are crucial for neutrino studies in nuclei. Charge exchange reactions (CER) are shown to be used to study charged current neutrino nuclear responses associated with double beta decays(DBD)and astro neutrino interactions. CERs to be used are high energy-resolution (He3 ,t) reactions at RCNP, photonuclear reactions via IAR at NewSUBARU and muon capture reactions at MUSIC RCNP and MLF J-PARC. The Gamow Teller (GT) strengths studied by CERs reproduce the observed 2 neutrino DBD matrix elements. The GT and spin dipole (SD) matrix elements are found to be reduced much due to the nucleon spin isospin correlations and the non-nucleonic (delta isobar) nuclear medium effects. Impacts of the reductions on the DBD matrix elements and astro neutrino interactions are discussed.

Low-frequency approximation for high-order harmonic generation by a bicircular laser field

NASA Astrophysics Data System (ADS)

Milošević, D. B.

2018-01-01

We present low-frequency approximation (LFA) for high-order harmonic generation (HHG) process. LFA represents the lowest-order term of an expansion of the final-state interaction matrix element in powers of the laser-field frequency ω . In this approximation the plane-wave recombination matrix element which appears in the strong-field approximation is replaced by the exact laser-free recombination matrix element calculated for the laser-field dressed electron momenta. First, we have shown that the HHG spectra obtained using the LFA agree with those obtained solving the time-dependent Schrödinger equation. Next, we have applied this LFA to calculate the HHG rate for inert gases exposed to a bicircular field. The bicircular field, which consists of two coplanar counter-rotating fields having different frequencies (usually ω and 2 ω ), is presently an important subject of scientific research since it enables efficient generation of circularly polarized high-order harmonics (coherent soft x rays). Analyzing the photorecombination matrix element we have found that the HHG rate can efficiently be calculated using the angular momentum basis with the states oriented in the direction of the bicircular field components. Our numerical results show that the HHG rate for atoms having p ground state, for higher high-order harmonic energies, is larger for circularly polarized harmonics having the helicity -1 . For lower energies the harmonics having helicity +1 prevails. The transition between these two harmonic energy regions can appear near the Cooper minimum, which, in the case of Ar atoms, makes the selection of high-order harmonics having the same helicity much easier. This is important for applications (for example, for generation of attosecond pulse trains of circularly polarized harmonics).

Preliminary characterisation of new glass reference materials (GSA-1G, GSC-1G, GSD-1G and GSE-1G) by laser ablation-inductively coupled plasma-mass spectrometry using 193 nm, 213 nm and 266 nm wavelengths

USGS Publications Warehouse

Guillong, M.; Hametner, K.; Reusser, E.; Wilson, S.A.; Gunther, D.

2005-01-01

New glass reference materials GSA-1G, GSC-1G, GSD-1G and GSE-1G have been characterised using a prototype solid state laser ablation system capable of producing wavelengths of 193 nm, 213 nm and 266 nm. This system allowed comparison of the effects of different laser wavelengths under nearly identical ablation and ICP operating conditions. The wavelengths 213 nm and 266 nm were also used at higher energy densities to evaluate the influence of energy density on quantitative analysis. In addition, the glass reference materials were analysed using commercially available 266 nm Nd:YAG and 193 nm ArF excimer lasers. Laser ablation analysis was carried out using both single spot and scanning mode ablation. Using laser ablation ICP-MS, concentrations of fifty-eight elements were determined with external calibration to the NIST SRM 610 glass reference material. Instead of applying the more common internal standardisation procedure, the total concentration of all element oxide concentrations was normalised to 100%. Major element concentrations were compared with those determined by electron microprobe. In addition to NIST SRM 610 for external calibration, USGS BCR-2G was used as a more closely matrix-matched reference material in order to compare the effect of matrix-matched and non matrix-matched calibration on quantitative analysis. The results show that the various laser wavelengths and energy densities applied produced similar results, with the exception of scanning mode ablation at 266 nm without matrix-matched calibration where deviations up to 60% from the average were found. However, results acquired using a scanning mode with a matrix-matched calibration agreed with results obtained by spot analysis. The increased abundance of large particles produced when using a scanning ablation mode with NIST SRM 610, is responsible for elemental fractionation effects caused by incomplete vaporisation of large particles in the ICP.

Energy conserving, linear scaling Born-Oppenheimer molecular dynamics.

PubMed

Cawkwell, M J; Niklasson, Anders M N

2012-10-07

Born-Oppenheimer molecular dynamics simulations with long-term conservation of the total energy and a computational cost that scales linearly with system size have been obtained simultaneously. Linear scaling with a low pre-factor is achieved using density matrix purification with sparse matrix algebra and a numerical threshold on matrix elements. The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] yields microcanonical trajectories with the approximate forces obtained from the linear scaling method that exhibit no systematic drift over hundreds of picoseconds and which are indistinguishable from trajectories computed using exact forces.

Scalar, Axial, and Tensor Interactions of Light Nuclei from Lattice QCD

NASA Astrophysics Data System (ADS)

Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; Gambhir, Arjun S.; Orginos, Kostas; Savage, Martin J.; Shanahan, Phiala E.; Wagman, Michael L.; Winter, Frank; Nplqcd Collaboration

2018-04-01

Complete flavor decompositions of the matrix elements of the scalar, axial, and tensor currents in the proton, deuteron, diproton, and 3He at SU(3)-symmetric values of the quark masses corresponding to a pion mass mπ˜806 MeV are determined using lattice quantum chromodynamics. At the physical quark masses, the scalar interactions constrain mean-field models of nuclei and the low-energy interactions of nuclei with potential dark matter candidates. The axial and tensor interactions of nuclei constrain their spin content, integrated transversity, and the quark contributions to their electric dipole moments. External fields are used to directly access the quark-line connected matrix elements of quark bilinear operators, and a combination of stochastic estimation techniques is used to determine the disconnected sea-quark contributions. The calculated matrix elements differ from, and are typically smaller than, naive single-nucleon estimates. Given the particularly large, O (10 %), size of nuclear effects in the scalar matrix elements, contributions from correlated multinucleon effects should be quantified in the analysis of dark matter direct-detection experiments using nuclear targets.

Scalar, Axial, and Tensor Interactions of Light Nuclei from Lattice QCD.

PubMed

Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; Gambhir, Arjun S; Orginos, Kostas; Savage, Martin J; Shanahan, Phiala E; Wagman, Michael L; Winter, Frank

2018-04-13

Complete flavor decompositions of the matrix elements of the scalar, axial, and tensor currents in the proton, deuteron, diproton, and ^{3}He at SU(3)-symmetric values of the quark masses corresponding to a pion mass m_{π}∼806  MeV are determined using lattice quantum chromodynamics. At the physical quark masses, the scalar interactions constrain mean-field models of nuclei and the low-energy interactions of nuclei with potential dark matter candidates. The axial and tensor interactions of nuclei constrain their spin content, integrated transversity, and the quark contributions to their electric dipole moments. External fields are used to directly access the quark-line connected matrix elements of quark bilinear operators, and a combination of stochastic estimation techniques is used to determine the disconnected sea-quark contributions. The calculated matrix elements differ from, and are typically smaller than, naive single-nucleon estimates. Given the particularly large, O(10%), size of nuclear effects in the scalar matrix elements, contributions from correlated multinucleon effects should be quantified in the analysis of dark matter direct-detection experiments using nuclear targets.

MOON for neutrino-less {beta}{beta} decays and {beta}{beta} nuclear matrix elements

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

Ejiri, H.

2009-11-09

The MOON project aims at spectroscopic 0v{beta}{beta} studies with the v-mass sensitivity of 100-30 meV by measuring two beta rays from {sup 100}Mo and/or {sup 82}Se. The detector is a compact super-module of multi-layer PL scintillator plates. R and D works made by the pro to-type MOON-1 and the small PL plate show the possible energy resolution of around {sigma}{approx}2.2%, as required for the mass sensitivity. Nuclear matrix elements M{sup 2v} for 2v{beta}{beta} are shown to be given by the sum {sigma}{sub L}M{sub k} of the 2v{beta}{beta} matrix elements M{sub k} through intermediate quasi-particle states in the Fermi-surface, where Mimore » is obtained experimentally by using the GT(J{sup {pi}} = 1{sup +}) matrix elements of M{sub i}(k) and M{sub f}(k) for the successive single-{beta} transitions through the k-th intermediate state.« less

Features of quark and lepton mixing from differential geometry of curves on surfaces

NASA Astrophysics Data System (ADS)

Bordes, José; Hong-Mo, Chan; Pfaudler, Jakov; Sheung Tsun, Tsou

1998-09-01

It is noted that the Cabibbo-Kobayashi-Moskawa (CKM) matrix elements for both quarks and leptons as conceived in the dualized standard model (DSM) can be interpreted as direction cosines obtained by moving the Darboux trihedron (a 3-frame) along a trajectory on a sphere traced out through changing energy scales by a 3-vector factorized from the mass matrix. From the Darboux analogues of the well-known Serret-Frenet formulas for space curves, it is seen that the corner elements (Vub,Vtd for quarks, and Ue3,Uτ1 for leptons) are associated with the (geodesic) torsion, while the other off-diagonal elements (Vus,Vcd and Vcb,Vts for quarks, and Ue2,Uμ1 and Uμ3,Uτ2 for leptons) with the (respectively, geodesic and normal) curvatures of the trajectory. From this it follows that (i) the corner elements in both matrices are much smaller than the other elements, and (ii) the Uμ3,Uτ2 elements for the lepton CKM matrix are much larger than their counterparts in the quark matrix. Both these conclusions are strongly borne out by experiment, for quarks in hadron decays and for leptons in neutrino oscillations, and by previous explicit calculations within the DSM scheme.

Determination of low-Z elements in individual environmental particles using windowless EPMA.

PubMed

Ro, C U; Osán, J; Van Grieken, R

1999-04-15

The determination of low-Z elements such as carbon, nitrogen, and oxygen in atmospheric aerosol particles is of interest in studying environmental pollution. Conventional electron probe microanalysis technique has a limitation for the determination of the low-Z elements, mainly because the Be window in an energy-dispersive X-ray (EDX) detector hinders the detection of characteristic X-rays from light elements. The feasibility of low-Z element determination in individual particles using a windowless EDX detector is investigated. To develop a method capable of identifying chemical species of individual particles, both the matrix and the geometric effects of particles have to be evaluated. X-rays of low-Z elements generated by an electron beam are so soft that important matrix effects, mostly due to X-ray absorption, exist even within particles in the micrometer size range. Also, the observed radiation, especially that of light elements, experiences different extents of absorption, depending on the shape and size of the particles. Monte Carlo calculation is applied to explain the variation of observed X-ray intensities according to the geometric and chemical compositional variation of individual particles, at different primary electron beam energies. A comparison is carried out between simulated and experimental data, collected for standard individual particles with chemical compositions as generally observed in marine and continental aerosols. Despite the many fundamental problematic analytical factors involved in the observation of X-rays from low-Z elements, the Monte Carlo calculation proves to be quite reliable to evaluate those matrix and geometric effects. Practical aspects of the Monte Carlo calculation for the determination of light elements in individual particles are also considered.

Excitation energies of dissociating H2: A problematic case for the adiabatic approximation of time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Gritsenko, O. V.; van Gisbergen, S. J. A.; Görling, A.; Baerends, E. J.

2000-11-01

Time-dependent density functional theory (TDDFT) is applied for calculation of the excitation energies of the dissociating H2 molecule. The standard TDDFT method of adiabatic local density approximation (ALDA) totally fails to reproduce the potential curve for the lowest excited singlet 1Σu+ state of H2. Analysis of the eigenvalue problem for the excitation energies as well as direct derivation of the exchange-correlation (xc) kernel fxc(r,r',ω) shows that ALDA fails due to breakdown of its simple spatially local approximation for the kernel. The analysis indicates a complex structure of the function fxc(r,r',ω), which is revealed in a different behavior of the various matrix elements K1c,1cxc (between the highest occupied Kohn-Sham molecular orbital ψ1 and virtual MOs ψc) as a function of the bond distance R(H-H). The effect of nonlocality of fxc(r,r') is modeled by using different expressions for the corresponding matrix elements of different orbitals. Asymptotically corrected ALDA (ALDA-AC) expressions for the matrix elements K12,12xc(στ) are proposed, while for other matrix elements the standard ALDA expressions are retained. This approach provides substantial improvement over the standard ALDA. In particular, the ALDA-AC curve for the lowest singlet excitation qualitatively reproduces the shape of the exact curve. It displays a minimum and approaches a relatively large positive energy at large R(H-H). ALDA-AC also produces a substantial improvement for the calculated lowest triplet excitation, which is known to suffer from the triplet instability problem of the restricted KS ground state. Failure of the ALDA for the excitation energies is related to the failure of the local density as well as generalized gradient approximations to reproduce correctly the polarizability of dissociating H2. The expression for the response function χ is derived to show the origin of the field-counteracting term in the xc potential, which is lacking in the local density and generalized gradient approximations and which is required to obtain a correct polarizability.

Relativistic many-body calculations of excitation energies, oscillator strengths, transition rates, and lifetimes in samarium like ions

NASA Astrophysics Data System (ADS)

Safronova, Ulyana; Safronova, Alla; Beiersdorfer, Peter

2013-05-01

Excitation energies, oscillator strengths, transition probabilities, and lifetimes are calculated for (5s2 + 5p2 + 5d2 + 5 s 5 d + 5 s 5 g + 5 p 5 f) - (5 s 5 p + 5 s 5 f + 5 p 5 d + 5 p 5 g) electric dipole transitions in Sm-like ions with nuclear charge Z ranging from 74 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6 4d10 4f14 Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate coupling coefficients, and the second-order RMBPT is used to determine the matrix elements. The contributions from negative-energy states are included in the second-order E1 matrix elements to achieve agreement between length-form and velocity-form amplitudes. The resulting transition energies and transition probabilities, and lifetimes for Sm-like W12+ are compared with results obtained by the relativistic Hartree-Fock approximation (COWAN code) to estimate contribution of the 4 f -core-excited states. Trends of excitation energies and oscillator strengths as function of nuclear charge Z are shown graphically for selected states and transitions. This work provides a number of yet unmeasured properti. This research was sponsored by the grant DE-FG02-08ER54951.

The role of the tunneling matrix element and nuclear reorganization in the design of quantum-dot cellular automata molecules

NASA Astrophysics Data System (ADS)

Henry, Jackson; Blair, Enrique P.

2018-02-01

Mixed-valence molecules provide an implementation for a high-speed, energy-efficient paradigm for classical computing known as quantum-dot cellular automata (QCA). The primitive device in QCA is a cell, a structure with multiple quantum dots and a few mobile charges. A single mixed-valence molecule can function as a cell, with redox centers providing quantum dots. The charge configuration of a molecule encodes binary information, and device switching occurs via intramolecular electron transfer between dots. Arrays of molecular cells adsorbed onto a substrate form QCA logic. Individual cells in the array are coupled locally via the electrostatic electric field. This device networking enables general-purpose computing. Here, a quantum model of a two-dot molecule is built in which the two-state electronic system is coupled to the dominant nuclear vibrational mode via a reorganization energy. This model is used to explore the effects of the electronic inter-dot tunneling (coupling) matrix element and the reorganization energy on device switching. A semi-classical reduction of the model also is made to investigate the competition between field-driven device switching and the electron-vibrational self-trapping. A strong electron-vibrational coupling (high reorganization energy) gives rise to self-trapping, which inhibits the molecule's ability to switch. Nonetheless, there remains an expansive area in the tunneling-reorganization phase space where molecules can support adequate tunneling. Thus, the relationship between the tunneling matrix element and the reorganization energy affords significant leeway in the design of molecules viable for QCA applications.

Neural network based feed-forward high density associative memory

NASA Technical Reports Server (NTRS)

Daud, T.; Moopenn, A.; Lamb, J. L.; Ramesham, R.; Thakoor, A. P.

1987-01-01

A novel thin film approach to neural-network-based high-density associative memory is described. The information is stored locally in a memory matrix of passive, nonvolatile, binary connection elements with a potential to achieve a storage density of 10 to the 9th bits/sq cm. Microswitches based on memory switching in thin film hydrogenated amorphous silicon, and alternatively in manganese oxide, have been used as programmable read-only memory elements. Low-energy switching has been ascertained in both these materials. Fabrication and testing of memory matrix is described. High-speed associative recall approaching 10 to the 7th bits/sec and high storage capacity in such a connection matrix memory system is also described.

Efficient evaluation of the Coulomb force in the Gaussian and finite-element Coulomb method.

PubMed

Kurashige, Yuki; Nakajima, Takahito; Sato, Takeshi; Hirao, Kimihiko

2010-06-28

We propose an efficient method for evaluating the Coulomb force in the Gaussian and finite-element Coulomb (GFC) method, which is a linear-scaling approach for evaluating the Coulomb matrix and energy in large molecular systems. The efficient evaluation of the analytical gradient in the GFC is not straightforward as well as the evaluation of the energy because the SCF procedure with the Coulomb matrix does not give a variational solution for the Coulomb energy. Thus, an efficient approximate method is alternatively proposed, in which the Coulomb potential is expanded in the Gaussian and finite-element auxiliary functions as done in the GFC. To minimize the error in the gradient not just in the energy, the derived functions of the original auxiliary functions of the GFC are used additionally for the evaluation of the Coulomb gradient. In fact, the use of the derived functions significantly improves the accuracy of this approach. Although these additional auxiliary functions enlarge the size of the discretized Poisson equation and thereby increase the computational cost, it maintains the near linear scaling as the GFC and does not affects the overall efficiency of the GFC approach.

Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives.

PubMed

De Simone, B C; Mazzone, G; Pirillo, J; Russo, N; Sicilia, E

2017-01-18

The influence of halogen atom substitution (Br and I), in different amounts and positions in an aza-BODIPY skeleton, on the photophysical properties of some aza-BODIPY derivatives has been investigated by using density functional theory and its time-dependent extension. The heavy atom effect on excitation energies, singlet-triplet energy gaps and spin-orbit matrix elements has been considered. The maximum absorption within the therapeutic window has been confirmed for all the aza-BODIPY derivatives. The feasible intersystem spin crossing pathways for the population of the lowest triplet state, that will depend on the values of the spin-orbit matrix elements, the energy gap as well as the orbital composition of the involved states have been found to most likely involve the S 1 and T 1 or T 2 states. The outcomes of computations support the potential therapeutic use of these compounds as photosensitizers in photodynamic therapy.

A master equation for strongly interacting dipoles

NASA Astrophysics Data System (ADS)

Stokes, Adam; Nazir, Ahsan

2018-04-01

We consider a pair of dipoles such as Rydberg atoms for which direct electrostatic dipole–dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us to include the inter-dipole Coulomb energy within the system Hamiltonian rather than the interaction. In contrast, the standard master equation for a two-dipole system, which depends entirely on well-known gauge-invariant S-matrix elements, is usually derived using the multipolar gauge, wherein there is no explicit inter-dipole Coulomb interaction. We show using a generalised arbitrary-gauge light-matter Hamiltonian that this master equation is obtained in other gauges only if the inter-dipole Coulomb interaction is kept within the interaction Hamiltonian rather than the unperturbed part as in our derivation. Thus, our master equation depends on different S-matrix elements, which give separation-dependent corrections to the standard matrix elements describing resonant energy transfer and collective decay. The two master equations coincide in the large separation limit where static couplings are negligible. We provide an application of our master equation by finding separation-dependent corrections to the natural emission spectrum of the two-dipole system.

Development of an X-ray surface analyzer for planetary exploration

NASA Technical Reports Server (NTRS)

Clark, B. C.

1972-01-01

An ultraminiature X-ray fluorescence spectrometer was developed which can obtain data on element composition not provided by present spacecraft instrumentation. The apparatus employs two radioisotope sources (Fe-55 and Cd-109) which irradiate adjacent areas on a soil sample. Fluorescent X-rays emitted by the sample are detected by four thin-window proportional counters. Using pulse-height discrimination, the energy spectra are determined. Virtually all elements above sodium in the periodic table are detected if present at sufficient levels. Minimum detection limits range from 30 ppm to several percent, depending upon the element and the matrix. For most elements, they are below 0.5 percent. Accuracies likewise depend upon the matrix, but are generally better than plus or minus 0.5 percent for all elements of atomic number greater than 14. Elements below sodium are also detected, but as a single group.

Discharging a DC bus capacitor of an electrical converter system

DOEpatents

Kajouke, Lateef A; Perisic, Milun; Ransom, Ray M

2014-10-14

A system and method of discharging a bus capacitor of a bidirectional matrix converter of a vehicle are presented here. The method begins by electrically shorting the AC interface of the converter after an AC energy source is disconnected from the AC interface. The method continues by arranging a plurality of switching elements of a second energy conversion module into a discharge configuration to establish an electrical current path from a first terminal of an isolation module, through an inductive element, and to a second terminal of the isolation module. The method also modulates a plurality of switching elements of a first energy conversion module, while maintaining the discharge configuration of the second energy conversion module, to at least partially discharge a DC bus capacitor.

Energy Finite Element Analysis for Computing the High Frequency Vibration of the Aluminum Testbed Cylinder and Correlating the Results to Test Data

NASA Technical Reports Server (NTRS)

Vlahopoulos, Nickolas

2005-01-01

The Energy Finite Element Analysis (EFEA) is a finite element based computational method for high frequency vibration and acoustic analysis. The EFEA solves with finite elements governing differential equations for energy variables. These equations are developed from wave equations. Recently, an EFEA method for computing high frequency vibration of structures either in vacuum or in contact with a dense fluid has been presented. The presence of fluid loading has been considered through added mass and radiation damping. The EFEA developments were validated by comparing EFEA results to solutions obtained by very dense conventional finite element models and solutions from classical techniques such as statistical energy analysis (SEA) and the modal decomposition method for bodies of revolution. EFEA results have also been compared favorably with test data for the vibration and the radiated noise generated by a large scale submersible vehicle. The primary variable in EFEA is defined as the time averaged over a period and space averaged over a wavelength energy density. A joint matrix computed from the power transmission coefficients is utilized for coupling the energy density variables across any discontinuities, such as change of plate thickness, plate/stiffener junctions etc. When considering the high frequency vibration of a periodically stiffened plate or cylinder, the flexural wavelength is smaller than the interval length between two periodic stiffeners, therefore the stiffener stiffness can not be smeared by computing an equivalent rigidity for the plate or cylinder. The periodic stiffeners must be regarded as coupling components between periodic units. In this paper, Periodic Structure (PS) theory is utilized for computing the coupling joint matrix and for accounting for the periodicity characteristics.

Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set

NASA Astrophysics Data System (ADS)

Oberhofer, Harald; Blumberger, Jochen

2010-12-01

We present a plane wave basis set implementation for the calculation of electronic coupling matrix elements of electron transfer reactions within the framework of constrained density functional theory (CDFT). Following the work of Wu and Van Voorhis [J. Chem. Phys. 125, 164105 (2006)], the diabatic wavefunctions are approximated by the Kohn-Sham determinants obtained from CDFT calculations, and the coupling matrix element calculated by an efficient integration scheme. Our results for intermolecular electron transfer in small systems agree very well with high-level ab initio calculations based on generalized Mulliken-Hush theory, and with previous local basis set CDFT calculations. The effect of thermal fluctuations on the coupling matrix element is demonstrated for intramolecular electron transfer in the tetrathiafulvalene-diquinone (Q-TTF-Q-) anion. Sampling the electronic coupling along density functional based molecular dynamics trajectories, we find that thermal fluctuations, in particular the slow bending motion of the molecule, can lead to changes in the instantaneous electron transfer rate by more than an order of magnitude. The thermal average, ( {< {| {H_ab } |^2 } > } )^{1/2} = 6.7 {mH}, is significantly higher than the value obtained for the minimum energy structure, | {H_ab } | = 3.8 {mH}. While CDFT in combination with generalized gradient approximation (GGA) functionals describes the intermolecular electron transfer in the studied systems well, exact exchange is required for Q-TTF-Q- in order to obtain coupling matrix elements in agreement with experiment (3.9 mH). The implementation presented opens up the possibility to compute electronic coupling matrix elements for extended systems where donor, acceptor, and the environment are treated at the quantum mechanical (QM) level.

Change in the frequency and intensity of the spectral lines of a hydrogen-like atom in the field of a point charge

NASA Astrophysics Data System (ADS)

Ovsyannikov, V. D.; Kamenskii, A. A.

2002-03-01

The changes in the wave functions and the energies of a hydrogen-like atom in the static field of a structureless charged particle are calculated in the asymptotic approximation. The corrections to the energy of states, as well as to the dipole matrix elements of radiative transitions caused by the interaction of the atom with the point charge at long range are calculated using the perturbation theory and the Sturm series for a reduced Coulomb Green’s function in parabolic coordinates. The analytical expressions are derived and tables of numerical values of the coefficients of asymptotic series that determine the corrections to the matrix elements and the intensities of transitions of the Lyman and Balmer series are presented.

Non-collinear magnetism with analytic Bond-Order Potentials

NASA Astrophysics Data System (ADS)

Ford, Michael E.; Pettifor, D. G.; Drautz, Ralf

2015-03-01

The theory of analytic Bond-Order Potentials as applied to non-collinear magnetic structures of transition metals is extended to take into account explicit rotations of Hamiltonian and local moment matrix elements between locally and globally defined spin-coordinate systems. Expressions for the gradients of the energy with respect to the Hamiltonian matrix elements, the interatomic forces and the magnetic torques are derived. The method is applied to simulations of the rotation of magnetic moments in α iron, as well as α and β manganese, based on d-valent orthogonal tight-binding parametrizations of the electronic structure. A new weighted-average terminator is introduced to improve the convergence of the Bond-Order Potential energies and torques with respect to tight-binding reference values, although the general behavior is qualitatively correct for low-moment expansions.

On the Origins of the Linear Free Energy Relationships: Exploring the Nature of the Off-Diagonal Coupling Elements in SN2 Reactions

PubMed Central

Rosta, Edina; Warshel, Arieh

2012-01-01

Understanding the relationship between the adiabatic free energy profiles of chemical reactions and the underlining diabatic states is central to the description of chemical reactivity. The diabatic states form the theoretical basis of Linear Free Energy Relationships (LFERs) and thus play a major role in physical organic chemistry and related fields. However, the theoretical justification for some of the implicit LFER assumptions has not been fully established by quantum mechanical studies. This study follows our earlier works1,2 and uses the ab initio frozen density functional theory (FDFT) method3 to evaluate both the diabatic and adiabatic free energy surfaces and to determine the corresponding off-diagonal coupling matrix elements for a series of SN2 reactions. It is found that the off-diagonal coupling matrix elements are almost the same regardless of the nucleophile and the leaving group but change upon changing the central group. Furthermore, it is also found that the off diagonal elements are basically the same in gas phase and in solution, even when the solvent is explicitly included in the ab initio calculations. Furthermore, our study establishes that the FDFT diabatic profiles are parabolic to a good approximation thus providing a first principle support to the origin of LFER. These findings further support the basic approximation of the EVB treatment. PMID:23329895

A three-dimensional nonlinear Timoshenko beam based on the core-congruential formulation

NASA Technical Reports Server (NTRS)

Crivelli, Luis A.; Felippa, Carlos A.

1992-01-01

A three-dimensional, geometrically nonlinear two-node Timoshenkoo beam element based on the total Larangrian description is derived. The element behavior is assumed to be linear elastic, but no restrictions are placed on magnitude of finite rotations. The resulting element has twelve degrees of freedom: six translational components and six rotational-vector components. The formulation uses the Green-Lagrange strains and second Piola-Kirchhoff stresses as energy-conjugate variables and accounts for the bending-stretching and bending-torsional coupling effects without special provisions. The core-congruential formulation (CCF) is used to derived the discrete equations in a staged manner. Core equations involving the internal force vector and tangent stiffness matrix are developed at the particle level. A sequence of matrix transformations carries these equations to beam cross-sections and finally to the element nodal degrees of freedom. The choice of finite rotation measure is made in the next-to-last transformation stage, and the choice of over-the-element interpolation in the last one. The tangent stiffness matrix is found to retain symmetry if the rotational vector is chosen to measure finite rotations. An extensive set of numerical examples is presented to test and validate the present element.

Renormalization of composite operators in Yang-Mills theories using a general covariant gauge

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

Collins, J.C.; Scalise, R.J.

Essential to QCD applications of the operator product expansion, etc., is a knowledge of those operators that mix with gauge-invariant operators. A standard theorem asserts that the renormalization matrix is triangular: Gauge-invariant operators have alien'' gauge-variant operators among their counterterms, but, with a suitably chosen basis, the necessary alien operators have only themselves as counterterms. Moreover, the alien operators are supposed to vanish in physical matrix elements. A recent calculation by Hamberg and van Neerven apparently contradicts these results. By explicit calculations with the energy-momentum tensor, we show that the problems arise because of subtle infrared singularities that appear whenmore » gluonic matrix elements are taken on shell at zero momentum transfer.« less

Using an internal coordinate Gaussian basis and a space-fixed Cartesian coordinate kinetic energy operator to compute a vibrational spectrum with rectangular collocation.

PubMed

Manzhos, Sergei; Carrington, Tucker

2016-12-14

We demonstrate that it is possible to use basis functions that depend on curvilinear internal coordinates to compute vibrational energy levels without deriving a kinetic energy operator (KEO) and without numerically computing coefficients of a KEO. This is done by using a space-fixed KEO and computing KEO matrix elements numerically. Whenever one has an excellent basis, more accurate solutions to the Schrödinger equation can be obtained by computing the KEO, potential, and overlap matrix elements numerically. Using a Gaussian basis and bond coordinates, we compute vibrational energy levels of formaldehyde. We show, for the first time, that it is possible with a Gaussian basis to solve a six-dimensional vibrational Schrödinger equation. For the zero-point energy (ZPE) and the lowest 50 vibrational transitions of H 2 CO, we obtain a mean absolute error of less than 1 cm -1 ; with 200 000 collocation points and 40 000 basis functions, most errors are less than 0.4 cm -1 .

Using an internal coordinate Gaussian basis and a space-fixed Cartesian coordinate kinetic energy operator to compute a vibrational spectrum with rectangular collocation

NASA Astrophysics Data System (ADS)

Manzhos, Sergei; Carrington, Tucker

2016-12-01

We demonstrate that it is possible to use basis functions that depend on curvilinear internal coordinates to compute vibrational energy levels without deriving a kinetic energy operator (KEO) and without numerically computing coefficients of a KEO. This is done by using a space-fixed KEO and computing KEO matrix elements numerically. Whenever one has an excellent basis, more accurate solutions to the Schrödinger equation can be obtained by computing the KEO, potential, and overlap matrix elements numerically. Using a Gaussian basis and bond coordinates, we compute vibrational energy levels of formaldehyde. We show, for the first time, that it is possible with a Gaussian basis to solve a six-dimensional vibrational Schrödinger equation. For the zero-point energy (ZPE) and the lowest 50 vibrational transitions of H2CO, we obtain a mean absolute error of less than 1 cm-1; with 200 000 collocation points and 40 000 basis functions, most errors are less than 0.4 cm-1.

Multi-jet Merging with NLO Matrix Elements

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

Siegert, Frank; /Freiburg U.; Hoche, Stefan

2011-08-18

In the algorithm presented here, the ME+PS approach to merge samples of tree-level matrix elements into inclusive event samples is combined with the POWHEG method, which includes exact next-to-leading order matrix elements in the parton shower. The advantages of the method are discussed and the quality of its implementation in SHERPA is exemplified by results for e{sup +}e{sup -} annihilation into hadrons at LEP, for deep-inelastic lepton-nucleon scattering at HERA, for Drell-Yan lepton-pair production at the Tevatron and for W{sup +}W{sup -}-production at LHC energies. The simulation of hard QCD radiation in parton-shower Monte Carlos has seen tremendous progress overmore » the last years. It was largely stimulated by the need for more precise predictions at LHC energies where the large available phase space allows additional hard QCD radiation alongside known Standard Model processes or even signals from new physics. Two types of algorithms have been developed, which allow to improve upon the soft-collinear approximations made in the parton shower, such that hard radiation is simulated according to exact matrix elements. In the ME+PS approach [1] higher-order tree-level matrix elements for different final-state jet multiplicity are merged with each other and with subsequent parton shower emissions to generate an inclusive sample. Such a prescription is invaluable for analyses which are sensitive to final states with a large jet multiplicity. The only remaining deficiency of such tree-level calculations is the large uncertainty stemming from scale variations. The POWHEG method [2] solves this problem for the lowest multiplicity subprocess by combining full NLO matrix elements with the parton shower. While this leads to NLO accuracy in the inclusive cross section and the exact radiation pattern for the first emission, it fails to describe higher-order emissions with improved accuracy. Thus it is not sufficient if final states with high jet multiplicities are considered. With the complementary advantages of these two approaches, the question arises naturally whether it would be possible to combine them into an even more powerful one. Such a combined algorithm was independently developed in [5] and [6]. Here a summary of the algorithm is given and predictions from corresponding Monte-Carlo predictions are presented.« less

A Measurement of the Top Quark Mass in 1.96 TeV Proton-Antiproton Collisions Using a Novel Matrix Element Method

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

Freeman, John

A measurement of the top quark mass in tmore » $$\\bar{t}$$ → l + jets candidate events, obtained from p$$\\bar{p}$$ collisions at √s = 1.96 TeV at the Fermilab Tevatron using the CDF II detector, is presented. The measurement approach is that of a matrix element method. For each candidate event, a two dimensional likelihood is calculated in the top pole mass and a constant scale factor, 'JES', where JES multiplies the input particle jet momenta and is designed to account for the systematic uncertainty of the jet momentum reconstruction. As with all matrix element techniques, the method involves an integration using the Standard Model matrix element for t$$\\bar{t}$$ production and decay. However, the technique presented is unique in that the matrix element is modified to compensate for kinematic assumptions which are made to reduce computation time. Background events are dealt with through use of an event observable which distinguishes signal from background, as well as through a cut on the value of an event's maximum likelihood. Results are based on a 955 pb -1 data sample, using events with a high-p T lepton and exactly four high-energy jets, at least one of which is tagged as coming from a b quark; 149 events pass all the selection requirements. They find M meas = 169.8 ± 2.3(stat.) ± 1.4(syst.) GeV/c 2.« less

Studies of singlet Rydberg series of LiH derived from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4

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

Gim, Yeongrok; Department of Chemistry, Ajou University, Suwon 443-749; Lee, Chun-Woo, E-mail: clee@ajou.ac.kr

2014-10-14

The 50 singlet states of LiH composed of 49 Rydberg states and one non-Rydberg ionic state derivable from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4, are studied using the multi-reference configuration interaction method combined with the Stuttgart/Köln group's effective core potential/core polarization potential method. Basis functions that can yield energy levels up to the 6g orbital of Li have been developed, and they are used with a huge number of universal Kaufmann basis functions for Rydberg states. The systematics and regularities of the physical properties such as potential energies, quantum defects, permanent dipole moments, transition dipolemore » moments, and nonadiabatic coupling matrix elements of the Rydberg series are studied. The behaviors of potential energy curves and quantum defect curves are explained using the Fermi approximation. The permanent dipole moments of the Rydberg series reveal that they are determined by the sizes of the Rydberg orbitals, which are proportional to n{sup 2}. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, with the rule Δl = ±1, except for s–d mixing, which is also accompanied by n-mixing. The members of the l-mixed Rydberg series have dipole moments with opposite directions. The first derivatives of the dipole moment curves, which show the charge-transfer component, clearly show not only mirror relationships in terms of direction but also oscillations. The transition dipole moment matrix elements of the Rydberg series are determined by the small-r region, with two consequences. One is that the transition dipole moment matrix elements show n{sup −3/2} dependence. The other is that the magnitudes of the transition dipole moment matrix elements decrease rapidly as l increases.« less

Studies of singlet Rydberg series of LiH derived from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4

NASA Astrophysics Data System (ADS)

Gim, Yeongrok; Lee, Chun-Woo

2014-10-01

The 50 singlet states of LiH composed of 49 Rydberg states and one non-Rydberg ionic state derivable from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4, are studied using the multi-reference configuration interaction method combined with the Stuttgart/Köln group's effective core potential/core polarization potential method. Basis functions that can yield energy levels up to the 6g orbital of Li have been developed, and they are used with a huge number of universal Kaufmann basis functions for Rydberg states. The systematics and regularities of the physical properties such as potential energies, quantum defects, permanent dipole moments, transition dipole moments, and nonadiabatic coupling matrix elements of the Rydberg series are studied. The behaviors of potential energy curves and quantum defect curves are explained using the Fermi approximation. The permanent dipole moments of the Rydberg series reveal that they are determined by the sizes of the Rydberg orbitals, which are proportional to n2. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, with the rule Δl = ±1, except for s-d mixing, which is also accompanied by n-mixing. The members of the l-mixed Rydberg series have dipole moments with opposite directions. The first derivatives of the dipole moment curves, which show the charge-transfer component, clearly show not only mirror relationships in terms of direction but also oscillations. The transition dipole moment matrix elements of the Rydberg series are determined by the small-r region, with two consequences. One is that the transition dipole moment matrix elements show n-3/2 dependence. The other is that the magnitudes of the transition dipole moment matrix elements decrease rapidly as l increases.

Measurements of 2νββ decay-matrix elements for mass A=64,76 and A=96 through charge-exchange reactions

NASA Astrophysics Data System (ADS)

Grewe, E.-W.; Frekers, D.

2006-07-01

We have used the (d,He2) charge-exchange reaction to obtain GT +-strength distributions in the nuclei 64Cu, 76As and 96Nb. These nuclei are the intermediate nuclei in the second-order perturbative description of the 64Zn double-beta plus ( β+β+) and the 76Ge and 96Zr double-beta minus ( β-β-) decays. By means of charge-exchange reactions on parent and daughter nucleus the double-beta decay matrix element can be deduced. In this contribution the measured excitation energy spectra are presented.

Scalar, Axial, and Tensor Interactions of Light Nuclei from Lattice QCD

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

Chang, Emmanuel; Davoudi, Zohreh; Detmold, William

Complete flavor decompositions of the matrix elements of the scalar, axial, and tensor currents in the proton, deuteron, diproton, and 3He at SU(3)-symmetric values of the quark masses corresponding to a pion mass m π~806 MeV are determined using lattice quantum chromodynamics. At the physical quark masses, the scalar interactions constrain mean-field models of nuclei and the low-energy interactions of nuclei with potential dark matter candidates. The axial and tensor interactions of nuclei constrain their spin content, integrated transversity, and the quark contributions to their electric dipole moments. External fields are used to directly access the quark-line connected matrix elementsmore » of quark bilinear operators, and a combination of stochastic estimation techniques is used to determine the disconnected sea-quark contributions. The calculated matrix elements differ from, and are typically smaller than, naive single-nucleon estimates. Given the particularly large, O(10%), size of nuclear effects in the scalar matrix elements, contributions from correlated multinucleon effects should be quantified in the analysis of dark matter direct-detection experiments using nuclear targets.« less

Scalar, Axial, and Tensor Interactions of Light Nuclei from Lattice QCD

DOE PAGES

Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; ...

2018-04-13

Complete flavor decompositions of the matrix elements of the scalar, axial, and tensor currents in the proton, deuteron, diproton, and 3He at SU(3)-symmetric values of the quark masses corresponding to a pion mass m π~806 MeV are determined using lattice quantum chromodynamics. At the physical quark masses, the scalar interactions constrain mean-field models of nuclei and the low-energy interactions of nuclei with potential dark matter candidates. The axial and tensor interactions of nuclei constrain their spin content, integrated transversity, and the quark contributions to their electric dipole moments. External fields are used to directly access the quark-line connected matrix elementsmore » of quark bilinear operators, and a combination of stochastic estimation techniques is used to determine the disconnected sea-quark contributions. The calculated matrix elements differ from, and are typically smaller than, naive single-nucleon estimates. Given the particularly large, O(10%), size of nuclear effects in the scalar matrix elements, contributions from correlated multinucleon effects should be quantified in the analysis of dark matter direct-detection experiments using nuclear targets.« less

A Monte Carlo-finite element model for strain energy controlled microstructural evolution - 'Rafting' in superalloys

NASA Technical Reports Server (NTRS)

Gayda, J.; Srolovitz, D. J.

1989-01-01

This paper presents a specialized microstructural lattice model, MCFET (Monte Carlo finite element technique), which simulates microstructural evolution in materials in which strain energy has an important role in determining morphology. The model is capable of accounting for externally applied stress, surface tension, misfit, elastic inhomogeneity, elastic anisotropy, and arbitrary temperatures. The MCFET analysis was found to compare well with the results of analytical calculations of the equilibrium morphologies of isolated particles in an infinite matrix.

Hydrodynamic Characteristics and Strength Analysis of a Novel Dot-matrix Oscillating Wave Energy Converter

NASA Astrophysics Data System (ADS)

Shao, Meng; Xiao, Chengsi; Sun, Jinwei; Shao, Zhuxiao; Zheng, Qiuhong

2017-12-01

The paper analyzes hydrodynamic characteristics and the strength of a novel dot-matrix oscillating wave energy converter, which is in accordance with nowadays’ research tendency: high power, high efficiency, high reliability and low cost. Based on three-dimensional potential flow theory, the paper establishes motion control equations of the wave energy converter unit and calculates wave loads and motions. On this basis, a three-dimensional finite element model of the device is built to check its strength. Through the analysis, it can be confirmed that the WEC is feasible and the research results could be a reference for wave energy’s exploration and utilization.

The Shock and Vibration Digest. Volume 16, Number 1

DTIC Science & Technology

1984-01-01

investigation of the measure- ment of frequency band average loss factors of structural components for use in the statistical energy analysis method of...stiffness. Matrix methods Key Words: Finite element technique. Statistical energy analysis . Experimental techniques. Framed structures, Com- puter...programs In order to further understand the practical application of the statistical energy analysis , a two section plate-like frame structure is

Optical absorption of zigzag single walled boron nitride nanotubes

NASA Astrophysics Data System (ADS)

Moradian, Rostam; Chegel, Raad; Behzad, Somayeh

2010-11-01

In a realistic three-dimensional model, optical matrix element and linear optical absorption of zigzag single walled boron nitride nanotubes (BNNTs) in the tight binding approximation are studied. In terms of absolute value of dipole matrix elements of the first three direct transitions at kz=0, we divided the zigzag BNNTs into three groups and investigated their optical absorption spectrum in energy ranges E<5, 77.5 eV. We found that in lower energies, E<5 eV, all groups show different behaviors while in the higher energies, 77.5 eV, their behaviors depend on their even or odd nanotube index. We also found that in the energy range 7

Laboratory for the Processing and Evaluation of Inorganic Matrix Composites

DTIC Science & Technology

1989-06-01

preceramic polymers .’ Ceramic data (yield and elemental composition ) for the pyrolysis ... polymer matrix composites can feature apparent fracture energies as high as those of unreinforced metals (Ashby and Jones 1980). I I Fig. 1 SiC VLS...materials has pyrolysis of shaped bodies of such " preceramic " polymers . received much attention in recent years.’ This procedure The issues that are

Charge-transfer contributions to the excitonic coupling matrix element in BODIPY-based energy transfer cassettes

NASA Astrophysics Data System (ADS)

Spiegel, J. Dominik; Lyskov, Igor; Kleinschmidt, Martin; Marian, Christel M.

2017-01-01

BODIPY-based dyads serve as model systems for the investigation of excitation energy transfer (EET). Through-space EET is brought about by direct and exchange interactions between the transition densities of donor and acceptor localized states. The presence of a molecular linker gives rise to additional charge transfer (CT) contributions. Here, we present a novel approach for the calculation of the excitonic coupling matrix element (ECME) including CT contributions which is based on supermolecular one-electron transition density matrices (STD). The validity of the approach is assessed for a model system of two π -stacked ethylene molecules at varying intermolecular separation. Wave functions and electronic excitation energies of five EET cassettes comprising anthracene as exciton donor and BODIPY as exciton acceptor are obtained by the redesigned combined density functional theory and multireference configuration interaction (DFT/MRCI-R) method. CT contributions to the ECME are shown to be important in the covalently linked EET cassettes.

Density-functional expansion methods: evaluation of LDA, GGA, and meta-GGA functionals and different integral approximations.

PubMed

Giese, Timothy J; York, Darrin M

2010-12-28

We extend the Kohn-Sham potential energy expansion (VE) to include variations of the kinetic energy density and use the VE formulation with a 6-31G* basis to perform a "Jacob's ladder" comparison of small molecule properties using density functionals classified as being either LDA, GGA, or meta-GGA. We show that the VE reproduces standard Kohn-Sham DFT results well if all integrals are performed without further approximation, and there is no substantial improvement in using meta-GGA functionals relative to GGA functionals. The advantages of using GGA versus LDA functionals becomes apparent when modeling hydrogen bonds. We furthermore examine the effect of using integral approximations to compute the zeroth-order energy and first-order matrix elements, and the results suggest that the origin of the short-range repulsive potential within self-consistent charge density-functional tight-binding methods mainly arises from the approximations made to the first-order matrix elements.

Delamination micromechanics analysis

NASA Technical Reports Server (NTRS)

Adams, D. F.; Mahishi, J. M.

1985-01-01

A three-dimensional finite element analysis was developed which includes elastoplastic, orthotropic material response, and fracture initiation and propagation. Energy absorption due to physical failure processes characteristic of the heterogeneous and anisotropic nature of composite materials is modeled. A local energy release rate in the presence of plasticity was defined and used as a criterion to predict the onset and growth of cracks in both micromechanics and macromechanics analyses. This crack growth simulation technique is based upon a virtual crack extension method. A three-dimensional finite element micromechanics model is used to study the effects of broken fibers, cracked matrix and fiber-matrix debond on the fracture toughness of the unidirectional composite. The energy release rates at the onset of unstable crack growth in the micromechanics analyses are used as critical energy release rates in the macromechanics analysis. This integrated micromechanical and macromechanical fracture criterion is shown to be very effective in predicting the onset and growth of cracks in general multilayered composite laminates by applying the criterion to a single-edge notched graphite/epoxy laminate subjected to implane tension normal to the notch.

Quarkonium polarization and the long distance matrix elements hierarchies using jet substructure

NASA Astrophysics Data System (ADS)

Dai, Lin; Shrivastava, Prashant

2017-08-01

We investigate the quarkonium production mechanisms in jets at the LHC, using the fragmenting jet functions (FJF) approach. Specifically, we discuss the jet energy dependence of the J /ψ production cross section at the LHC. By comparing the cross sections for the different NRQCD production channels (1S0[8], 3S1[8], 3PJ[8], and 3cripts>S1[1]), we find that at fixed values of energy fraction z carried by the J /ψ , if the normalized cross section is a decreasing function of the jet energy, in particular for z >0.5 , then the depolarizing 1S0[8] must be the dominant channel. This makes the prediction made in [Baumgart et al., J. High Energy Phys. 11 (2014) 003, 10.1007/JHEP11(2014)003] for the FJF's also true for the cross section. We also make comparisons between the long distance matrix elements extracted by various groups. This analysis could potentially shed light on the polarization properties of the J /ψ production in high pT region.

Systems and methods for reducing transient voltage spikes in matrix converters

DOEpatents

Kajouke, Lateef A.; Perisic, Milun; Ransom, Ray M.

2013-06-11

Systems and methods are provided for delivering energy using an energy conversion module that includes one or more switching elements. An exemplary electrical system comprises a DC interface, an AC interface, an isolation module, a first conversion module between the DC interface and the isolation module, and a second conversion module between the AC interface and the isolation module. A control module is configured to operate the first conversion module to provide an injection current to the second conversion module to reduce a magnitude of a current through a switching element of the second conversion module before opening the switching element.

Neutrinoless double-β decay of Se82 in the shell model: Beyond the closure approximation

NASA Astrophysics Data System (ADS)

Sen'kov, R. A.; Horoi, M.; Brown, B. A.

2014-05-01

We recently proposed a method [R. A. Senkov and M. Horoi, Phys. Rev. C 88, 064312 (2013), 10.1103/PhysRevC.88.064312] to calculate the standard nuclear matrix elements for neutrinoless double-β decay (0νββ) of Ca48 going beyond the closure approximation. Here we extend this analysis to the important case of Se82, which was chosen as the base isotope for the upcoming SuperNEMO experiment. We demonstrate that by using a mixed method that considers information from closure and nonclosure approaches, one can get excellent convergence properties for the nuclear matrix elements, which allows one to avoid unmanageable computational costs. We show that in contrast with the closure approximation the mixed approach has a very weak dependence on the average closure energy. The matrix elements for the heavy neutrino-exchange mechanism that could contribute to the 0νββ decay of Se82 are also presented.

Using an iterative eigensolver to compute vibrational energies with phase-spaced localized basis functions.

PubMed

Brown, James; Carrington, Tucker

2015-07-28

Although phase-space localized Gaussians are themselves poor basis functions, they can be used to effectively contract a discrete variable representation basis [A. Shimshovitz and D. J. Tannor, Phys. Rev. Lett. 109, 070402 (2012)]. This works despite the fact that elements of the Hamiltonian and overlap matrices labelled by discarded Gaussians are not small. By formulating the matrix problem as a regular (i.e., not a generalized) matrix eigenvalue problem, we show that it is possible to use an iterative eigensolver to compute vibrational energy levels in the Gaussian basis.

Determining partial differential cross sections for low-energy electron photodetachment involving conical intersections using the solution of a Lippmann-Schwinger equation constructed with standard electronic structure techniques.

PubMed

Han, Seungsuk; Yarkony, David R

2011-05-07

A method for obtaining partial differential cross sections for low energy electron photodetachment in which the electronic states of the residual molecule are strongly coupled by conical intersections is reported. The method is based on the iterative solution to a Lippmann-Schwinger equation, using a zeroth order Hamiltonian consisting of the bound nonadiabatically coupled residual molecule and a free electron. The solution to the Lippmann-Schwinger equation involves only standard electronic structure techniques and a standard three-dimensional free particle Green's function quadrature for which fast techniques exist. The transition dipole moment for electron photodetachment, is a sum of matrix elements each involving one nonorthogonal orbital obtained from the solution to the Lippmann-Schwinger equation. An expression for the electron photodetachment transition dipole matrix element in terms of Dyson orbitals, which does not make the usual orthogonality assumptions, is derived.

Ferroelectric polymer-ceramic composite thick films for energy storage applications

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

Singh, Paritosh; Borkar, Hitesh; Singh, B. P.

2014-08-15

We have successfully fabricated large area free standing polyvinylidene fluoride -Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} (PVDF-PZT) ferroelectric polymer-ceramic composite (wt% 80–20, respectively) thick films with an average diameter (d) ∼0.1 meter and thickness (t) ∼50 μm. Inclusion of PZT in PVDF matrix significantly enhanced dielectric constant (from 10 to 25 at 5 kHz) and energy storage capacity (from 11 to 14 J/cm{sup 3}, using polarization loops), respectively, and almost similar leakage current and mechanical strength. Microstructural analysis revealed the presence of α and β crystalline phases and homogeneous distribution of PZT crystals in PVDF matrix. It was also found that apartmore » from the microcrystals, well defined naturally developed PZT nanocrystals were embedded in PVDF matrix. The observed energy density indicates immense potential in PVDF-PZT composites for possible applications as green energy and power density electronic elements.« less

Measurement of differential cross sections and spin density matrix elements along with a partial wave analysis for gammap → po using CLAS at Jefferson Lab

NASA Astrophysics Data System (ADS)

Williams, Mike

This work presents measurements of differential cross sections, dsigma/dcos qwCM , and spin density matrix elements, r0MM' , for the reaction gammap → po in the energy range 1.72 GeV< s <2.84 GeV. The data were collected at Jefferson Lab, using the CLAS detector, as part of the g11a run period in 2004. Our r0MM' measurements vastly increase the precision of the world's data and extend the large angle measurements by over 400 MeV in s . Our data confirms that for s < 2.1 GeV, the forward angle (small |t|) production amplitude is dominated by t-channel pi0 exchange. At higher energies, existing non-resonant models do a poor job of describing our data. In particular, u-channel models fail to reproduce our highest energy backwards r0MM' measurements. A mass-independent partial wave analysis has also been performed. Near threshold, the dominant resonance contributions extracted are the **** F15 (1680) and *** D 13(1700). Together with the t-channel pi0 exchange, these three waves provide a remarkably good description of our differential cross section and spin density matrix element measurements for s < 2 GeV. Strong, but not conclusive, evidence for the **** G17(2190) has also been extracted. Improved non-resonant models may be necessary to irrefutably show whether this state contributes to o photoproduction. Evidence for missing resonances is suggestive, but inconclusive without theoretical input.

Partially coherent electron transport in terahertz quantum cascade lasers based on a Markovian master equation for the density matrix

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

Jonasson, O.; Karimi, F.; Knezevic, I.

2016-08-01

We derive a Markovian master equation for the single-electron density matrix, applicable to quantum cascade lasers (QCLs). The equation conserves the positivity of the density matrix, includes off-diagonal elements (coherences) as well as in-plane dynamics, and accounts for electron scattering with phonons and impurities. We use the model to simulate a terahertz-frequency QCL, and compare the results with both experiment and simulation via nonequilibrium Green's functions (NEGF). We obtain very good agreement with both experiment and NEGF when the QCL is biased for optimal lasing. For the considered device, we show that the magnitude of coherences can be a significantmore » fraction of the diagonal matrix elements, which demonstrates their importance when describing THz QCLs. We show that the in-plane energy distribution can deviate far from a heated Maxwellian distribution, which suggests that the assumption of thermalized subbands in simplified density-matrix models is inadequate. As a result, we also show that the current density and subband occupations relax towards their steady-state values on very different time scales.« less

Microwave Detection of Chemical Agents: A Review

DTIC Science & Technology

1986-06-01

Health (NIOSH).8’l1 This instrument was designed to detect acetonitrile, acetaldehyde , acetone, carbonyl sulfide, ethanol, ethylene oxide , isopropyl...absolute temperature mij - the dipole matrix element connecting the upper and lower energy states vo = the absorption line center v - transition...from multiple reflections through the cell. The Q of a cavity is defined as the electro - magnetic energy in the cavity divided by the energy lost per

Relativistic many-body calculation of energies, transition rates, lifetimes, and multipole polarizabilities in Cs-like La iii

NASA Astrophysics Data System (ADS)

Safronova, U. I.; Safronova, M. S.

2014-05-01

Excitation energies of the [Xe]nd (n =5-9), [Xe]ns (n =6-10), [Xe]np (n =6-9), [Xe]nf (n =4-8), and [Xe]ng (n =5-8) states in La iii, where [Xe] = 1s22s22p63s23p63d104s24p64d105s25p6, are evaluated. Electric dipole matrix elements for the allowed transitions between the low-lying [Xe]nd, [Xe]ns, [Xe]np, [Xe]nf, and [Xe]ng states in the La iii ion are calculated using the high-precision relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Fock wave functions are included to all orders of perturbation theory. Recommended values are provided for a large number of electric dipole matrix elements, oscillator strengths, transition rates, and lifetimes. Scalar and tensor polarizabilities of the states listed above are evaluated. The uncertainties of the recommended values are estimated. Electric quadrupole and magnetic dipole matrix elements are calculated to determine lifetimes of the 5d5/2 and 6s metastable levels. The ground-state E1, E2, and E3 static polarizabilities are calculated. This work provides recommended values critically evaluated for their accuracy for a number of La iii atomic properties for use in planning and analysis of various experiments as well as theoretical modeling.

Carbon nanotubes within polymer matrix can synergistically enhance mechanical energy dissipation

NASA Astrophysics Data System (ADS)

Ashraf, Taimoor; Ranaiefar, Meelad; Khatri, Sumit; Kavosi, Jamshid; Gardea, Frank; Glaz, Bryan; Naraghi, Mohammad

2018-03-01

Safe operation and health of structures relies on their ability to effectively dissipate undesired vibrations, which could otherwise significantly reduce the life-time of a structure due to fatigue loads or large deformations. To address this issue, nanoscale fillers, such as carbon nanotubes (CNTs), have been utilized to dissipate mechanical energy in polymer-based nanocomposites through filler-matrix interfacial friction by benefitting from their large interface area with the matrix. In this manuscript, for the first time, we experimentally investigate the effect of CNT alignment with respect to reach other and their orientation with respect to the loading direction on vibrational damping in nanocomposites. The matrix was polystyrene (PS). A new technique was developed to fabricate PS-CNT nanocomposites which allows for controlling the angle of CNTs with respect to the far-field loading direction (misalignment angle). Samples were subjected to dynamic mechanical analysis, and the damping of the samples were measured as the ratio of the loss to storage moduli versus CNT misalignment angle. Our results defied a notion that randomly oriented CNT nanocomposites can be approximated as a combination of matrix-CNT representative volume elements with randomly aligned CNTs. Instead, our results points to major contributions of stress concentration induced by each CNT in the matrix in proximity of other CNTs on vibrational damping. The stress fields around CNTs in PS-CNT nanocomposites were studied via finite element analysis. Our findings provide significant new insights not only on vibrational damping nanocomposites, but also on their failure modes and toughness, in relation to interface phenomena.

Quiet-Time Spectra and Abundances of Energetic Particles During the 1996 Solar Minimum

NASA Technical Reports Server (NTRS)

Reames, Donald V.

1999-01-01

We report the energy spectra and abundances of ions with atomic number, Z, in the interval Z is greater than or equal to 2 and Z is less than or equal to 36 and energies approximately 3-20 MeV/amu for solar and interplanetary quiet periods between 1994 November and 1998 April as measured by the large-geometry Low Energy Matrix Telescope (LEMT) telescope on the Wind spacecraft near Earth. The energy spectra show the presence of galactic (GCR) and "anomalous" cosmic ray (ACR) components, depending on the element. ACR components are reported for Mg and Si for the first time at 1 AU and the previous observation of S and Ar is confirmed. However, only GCR components are clearly apparent for the elements Ca, Ti, Cr, Fe, as well as for C. New limits are placed on a possible ACR contribution for other elements, including Kr.

Pairing matrix elements and pairing gaps with bare, effective, and induced interactions

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

Barranco, F.; Bortignon, P.F.; Colo, G.

2005-11-01

The dependence on the single-particle states of the pairing matrix elements of the Gogny force and of the bare low-momentum nucleon-nucleon potential v{sub low-k}--designed so as to reproduce the low-energy observables avoiding the use of a repulsive core--is studied for a typical finite, superfluid nucleus ({sup 120}Sn). It is found that the matrix elements of v{sub low-k} follow closely those of v{sub Gogny} on a wide range of energy values around the Fermi energy e{sub F}, those associated with v{sub low-k} being less attractive. This result explains the fact that around e{sub F} the pairing gap {delta}{sub Gogny} associated withmore » the Gogny interaction (and with a density of single-particle levels corresponding to an effective k mass m{sub k}{approx_equal}0.7 m) is a factor of about 2 larger than {delta}{sub low-k}, being in agreement with {delta}{sub exp}=1.4 MeV. The exchange of low-lying collective surface vibrations among pairs of nucleons moving in time-reversal states gives rise to an induced pairing interaction v{sub ind} peaked at e{sub F}. The interaction (v{sub low-k}+v{sub ind}) Z{sub {omega}} arising from the renormalization of the bare nucleon-nucleon potential and of the single-particle motion ({omega}-mass and quasiparticle strength Z{sub {omega}}) associated with the particle-vibration coupling mechanism, leads to a value of the pairing gap at the Fermi energy {delta}{sub ren} that accounts for the experimental value. An important question that remains to be studied quantitatively is to what extent {delta}{sub Gogny}, which depends on average parameters, and {delta}{sub ren}, which explicitly depends on the parameters describing the (low-energy) nuclear structure, display or not a similar isotopic dependence and whether this dependence is borne out by the data.« less

Electronic coupling between Watson-Crick pairs for hole transfer and transport in desoxyribonucleic acid

NASA Astrophysics Data System (ADS)

Voityuk, Alexander A.; Jortner, Joshua; Bixon, M.; Rösch, Notker

2001-04-01

Electronic matrix elements for hole transfer between Watson-Crick pairs in desoxyribonucleic acid (DNA) of regular structure, calculated at the Hartree-Fock level, are compared with the corresponding intrastrand and interstrand matrix elements estimated for models comprised of just two nucleobases. The hole transfer matrix element of the GAG trimer duplex is calculated to be larger than that of the GTG duplex. "Through-space" interaction between two guanines in the trimer duplexes is comparable with the coupling through an intervening Watson-Crick pair. The gross features of bridge specificity and directional asymmetry of the electronic matrix elements for hole transfer between purine nucleobases in superstructures of dimer and trimer duplexes have been discussed on the basis of the quantum chemical calculations. These results have also been analyzed with a semiempirical superexchange model for the electronic coupling in DNA duplexes of donor (nuclobases)-acceptor, which incorporates adjacent base-base electronic couplings and empirical energy gaps corrected for solvation effects; this perturbation-theory-based model interpretation allows a theoretical evaluation of experimental observables, i.e., the absolute values of donor-acceptor electronic couplings, their distance dependence, and the reduction factors for the intrastrand hole hopping or trapping rates upon increasing the size of the nucleobases bridge. The quantum chemical results point towards some limitations of the perturbation-theory-based modeling.

SU-G-TeP1-15: Toward a Novel GPU Accelerated Deterministic Solution to the Linear Boltzmann Transport Equation

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

Yang, R; Fallone, B; Cross Cancer Institute, Edmonton, AB

Purpose: To develop a Graphic Processor Unit (GPU) accelerated deterministic solution to the Linear Boltzmann Transport Equation (LBTE) for accurate dose calculations in radiotherapy (RT). A deterministic solution yields the potential for major speed improvements due to the sparse matrix-vector and vector-vector multiplications and would thus be of benefit to RT. Methods: In order to leverage the massively parallel architecture of GPUs, the first order LBTE was reformulated as a second order self-adjoint equation using the Least Squares Finite Element Method (LSFEM). This produces a symmetric positive-definite matrix which is efficiently solved using a parallelized conjugate gradient (CG) solver. Themore » LSFEM formalism is applied in space, discrete ordinates is applied in angle, and the Multigroup method is applied in energy. The final linear system of equations produced is tightly coupled in space and angle. Our code written in CUDA-C was benchmarked on an Nvidia GeForce TITAN-X GPU against an Intel i7-6700K CPU. A spatial mesh of 30,950 tetrahedral elements was used with an S4 angular approximation. Results: To avoid repeating a full computationally intensive finite element matrix assembly at each Multigroup energy, a novel mapping algorithm was developed which minimized the operations required at each energy. Additionally, a parallelized memory mapping for the kronecker product between the sparse spatial and angular matrices, including Dirichlet boundary conditions, was created. Atomicity is preserved by graph-coloring overlapping nodes into separate kernel launches. The one-time mapping calculations for matrix assembly, kronecker product, and boundary condition application took 452±1ms on GPU. Matrix assembly for 16 energy groups took 556±3s on CPU, and 358±2ms on GPU using the mappings developed. The CG solver took 93±1s on CPU, and 468±2ms on GPU. Conclusion: Three computationally intensive subroutines in deterministically solving the LBTE have been formulated on GPU, resulting in two orders of magnitude speedup. Funding support from Natural Sciences and Engineering Research Council and Alberta Innovates Health Solutions. Dr. Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization).« less

Asymptotic states and the definition of the S-matrix in quantum gravity

NASA Astrophysics Data System (ADS)

Wiesendanger, C.

2013-04-01

Viewing gravitational energy-momentum p_G^\\mu as equal by observation, but different in essence from inertial energy-momentum p_I^\\mu naturally leads to the gauge theory of volume-preserving diffeomorphisms of an inner Minkowski space M4. The generalized asymptotic free scalar, Dirac and gauge fields in that theory are canonically quantized, the Fock spaces of stationary states are constructed and the gravitational limit—mapping the gravitational energy-momentum onto the inertial energy-momentum to account for their observed equality—is introduced. Next the S-matrix in quantum gravity is defined as the gravitational limit of the transition amplitudes of asymptotic in- to out-states in the gauge theory of volume-preserving diffeomorphisms. The so-defined S-matrix relates in- and out-states of observable particles carrying gravitational equal to inertial energy-momentum. Finally, generalized Lehmann-Symanzik-Zimmermann reduction formulae for scalar, Dirac and gauge fields are established which allow us to express S-matrix elements as the gravitational limit of truncated Fourier-transformed vacuum expectation values of time-ordered products of field operators of the interacting theory. Together with the generating functional of the latter established in Wiesendanger (2011 arXiv:1103.1012) any transition amplitude can in principle be computed consistently to any order in perturbative quantum gravity.

Differential cross sections and polarization observables from CLAS K* photoproduction and the search for new N* states

NASA Astrophysics Data System (ADS)

Anisovich, A. V.; Hicks, K.; Klempt, E.; Nikonov, V. A.; Sarantsev, A.; Tang, W.; Adikaram, D.; Akbar, Z.; Amaryan, M. J.; Anefalos Pereira, S.; Badui, R. A.; Ball, J.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Briscoe, W. J.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Chetry, T.; Ciullo, G.; Clark, L.; Cole, P. L.; Compton, N.; Contalbrigo, M.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Dugger, M.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Eugenio, P.; Fanchini, E.; Fedotov, G.; Filippi, A.; Fleming, J. A.; Gevorgyan, N.; Ghandilyan, Y.; Giovanetti, K. L.; Girod, F. X.; Gleason, C.; Gothe, R. W.; Griffioen, K. A.; Guo, L.; Hanretty, C.; Harrison, N.; Hattawy, M.; Holtrop, M.; Hughes, S. M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joosten, S.; Keller, D.; Khachatryan, G.; Khandaker, M.; Kim, W.; Klein, F. J.; Kubarovsky, V.; Lanza, L.; Lenisa, P.; Livingston, K.; MacGregor, I. J. D.; Markov, N.; McKinnon, B.; Meyer, C. A.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Movsisyan, A.; Munevar, E.; Munoz Camacho, C.; Murdoch, G.; Nadel-Turonski, P.; Net, L. A.; Ni, A.; Niccolai, S.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Paolone, M.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Peng, P.; Phelps, W.; Pisano, S.; Pogorelko, O.; Price, J. W.; Prok, Y.; Puckett, A. J. R.; Raue, B. A.; Ripani, M.; Ritchie, B. G.; Rosner, G.; Roy, P.; Sabatié, F.; Schumacher, R. A.; Sharabian, Y. G.; Skorodumina, Iu.; Smith, G. D.; Sokhan, D.; Sparveris, N.; Stankovic, I.; Stepanyan, S.; Strauch, S.; Sytnik, V.; Tian, Ye.; Ungaro, M.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Wood, M. H.; Zachariou, N.; Zhang, J.; Zonta, I.; CLAS Collaboration

2017-08-01

The reaction γp →K*+ Λ was measured using the CLAS detector for photon energies between the threshold and 3.9 GeV at the Thomas Jefferson National Accelerator Facility. For the first time, spin-density matrix elements have been extracted for this reaction. Differential cross sections, spin density matrix elements, and the Λ recoil polarization are compared with theoretical predictions using the BnGa partial wave analysis. The main result is the evidence for significant contributions from N (1895) 1 /2- and N (2100) 1 /2+ to the reaction. Branching ratios for decays into K* Λ for these resonances and further resonances are reported.

Transition sum rules in the shell model

NASA Astrophysics Data System (ADS)

Lu, Yi; Johnson, Calvin W.

2018-03-01

An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy-weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, which in the case of the EWSR is a double commutator. While most prior applications of the double commutator have been to special cases, we derive general formulas for matrix elements of both operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We apply this simple tool to a number of nuclides and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E 1 ) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground-state electric quadrupole (E 2 ) centroids in the s d shell.

Biosorption of metal elements by exopolymer nanofibrils excreted from Leptothrix cells.

PubMed

Kunoh, Tatsuki; Nakanishi, Makoto; Kusano, Yoshihiro; Itadani, Atsushi; Ando, Kota; Matsumoto, Syuji; Tamura, Katsunori; Kunoh, Hitoshi; Takada, Jun

2017-10-01

Leptothrix species, aquatic Fe-oxidizing bacteria, excrete nano-scaled exopolymer fibrils. Once excreted, the fibrils weave together and coalesce to form extracellular, microtubular, immature sheaths encasing catenulate cells of Leptothrix. The immature sheaths, composed of aggregated nanofibrils with a homogeneous-looking matrix, attract and bind aqueous-phase inorganics, especially Fe, P, and Si, to form seemingly solid, mature sheaths of a hybrid organic-inorganic nature. To verify our assumption that the organic skeleton of the sheaths might sorb a broad range of other metallic and nonmetallic elements, we examined the sorption potential of chemically and enzymatically prepared protein-free organic sheath remnants for 47 available elements. The sheath remnants were found by XRF to sorb each of the 47 elements, although their sorption degree varied among the elements: >35% atomic percentages for Ti, Y, Zr, Ru, Rh, Ag, and Au. Electron microscopy, energy dispersive x-ray spectroscopy, electron and x-ray diffractions, and Fourier transform infrared spectroscopy analyses of sheath remnants that had sorbed Ag, Cu, and Pt revealed that (i) the sheath remnants comprised a 5-10 nm thick aggregation of fibrils, (ii) the test elements were distributed almost homogeneously throughout the fibrillar aggregate, (iii) the nanofibril matrix sorbing the elements was nearly amorphous, and (iv) these elements plausibly were bound to the matrix by ionic binding, especially via OH. The present results show that the constitutive protein-free exopolymer nanofibrils of the sheaths can contribute to creating novel filtering materials for recovering and recycling useful and/or hazardous elements from the environment. Copyright © 2017. Published by Elsevier Ltd.

Relativistic coupled-cluster-theory analysis of energies, hyperfine-structure constants, and dipole polarizabilities of Cd+

NASA Astrophysics Data System (ADS)

Li, Cheng-Bin; Yu, Yan-Mei; Sahoo, B. K.

2018-02-01

Roles of electron correlation effects in the determination of attachment energies, magnetic-dipole hyperfine-structure constants, and electric-dipole (E 1 ) matrix elements of the low-lying states in the singly charged cadmium ion (Cd+) have been analyzed. We employ the singles and doubles approximated relativistic coupled-cluster (RCC) method to calculate these properties. Intermediate results from the Dirac-Hartree-Fock approximation,the second-order many-body perturbation theory, and considering only the linear terms of the RCC method are given to demonstrate propagation of electron correlation effects in this ion. Contributions from important RCC terms are also given to highlight the importance of various correlation effects in the evaluation of these properties. At the end, we also determine E 1 polarizabilities (αE 1) of the ground and 5 p 2P1 /2 ;3 /2 states of Cd+ in the ab initio approach. We estimate them again by replacing some of the E 1 matrix elements and energies from the measurements to reduce their uncertainties so that they can be used in the high-precision experiments of this ion.

Calibrations for charged particle tracking and measurements of w photoproduction with the GlueX detector

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

Staib, Michael

The GlueX experiment is a new experimental facility at Jefferson Lab in Newport News, VA. The experiment aims to map out the spectrum of hybrid mesons in the light quark sector. Measurements of the spin-density matrix elements in omega photoproduction are performed with a linear polarized photon beam on an unpolarized proton target, and presented in bins of Mandelstam t for beam energies of 8.4-9.0 GeV. The spin-density matrix elements are exclusively measured through two decays of the omega meson: omega -> pi^+ pi^- pi^0 and omega ->pi^0 gamma. A description of the experimental apparatus is presented. Several methods usedmore » in the calibration of the charged particle tracking system are described. These measurements greatly improve the world statistics in this energy range. These are the first results measured through the omega ->pi^0 gamma decay at this energy. Results are generally consistent with a theoretical model based on diffractive production with Pomeron and pseudoscalar exchange in the t-channel.« less

Feasibility for direct rapid energy dispersive X-ray fluorescence (EDXRF) and scattering analysis of complex matrix liquids by partial least squares.

PubMed

Angeyo, K H; Gari, S; Mustapha, A O; Mangala, J M

2012-11-01

The greatest challenge to material characterization by XRF technique is encountered in direct trace analysis of complex matrices. We exploited partial least squares (PLS) in conjunction with energy dispersive X-ray fluorescence and scattering (EDXRFS) spectrometry to rapidly (200 s) analyze lubricating oils. The PLS-EDXRFS method affords non-invasive quality assurance (QA) analysis of complex matrix liquids as it gave optimistic results for both heavy- and low-Z metal additives. Scatter peaks may further be used for QA characterization via the light elements. Copyright © 2012 Elsevier Ltd. All rights reserved.

Finite element analysis of damped vibrations of laminated composite plates

NASA Astrophysics Data System (ADS)

Hu, Baogang

1992-11-01

Damped free vibrations of composite laminates are subjected to macromechanical analysis. Two models are developed: a viscoelastic damping model and a specific damping capacity model. The important symmetry property of the damping matrix is retained in both models. A modified modal strain energy method is proposed for evaluating modal damping in the viscoelastic model using a real (instead of a complex) eigenvalue problem solution. Numerical studies of multidegree of freedom systems are conducted to illustrate the improved accuracy of the method compared to the modal strain energy method. The experimental data reported in the literature for damped free vibrations in both polymer matrix and metal matrix composites were used in finite element analysis to test and compare the damping models. The natural frequencies and modal damping were obtained using both the viscoelastic and specific models. Results from both models are in satisfactory agreement with experimental data. Both models were found to be reasonably accurate for systems with low damping. Parametric studies were conducted to examine the effects on damping of the side to thickness ratio, the principal moduli ratio, the total number of layers, the ply angle, and the boundary conditions.

Underlying theory of a model for the Renner-Teller effect in tetra-atomic molecules: X(2)Πu electronic state of C2H2(+).

PubMed

Perić, M; Jerosimić, S; Mitić, M; Milovanović, M; Ranković, R

2015-05-07

In the present study, we prove the plausibility of a simple model for the Renner-Teller effect in tetra-atomic molecules with linear equilibrium geometry by ab initio calculations of the electronic energy surfaces and non-adiabatic matrix elements for the X(2)Πu state of C2H2 (+). This phenomenon is considered as a combination of the usual Renner-Teller effect, appearing in triatomic species, and a kind of the Jahn-Teller effect, similar to the original one arising in highly symmetric molecules. Only four parameters (plus the spin-orbit constant, if the spin effects are taken into account), which can be extracted from ab initio calculations carried out at five appropriate (planar) molecular geometries, are sufficient for building up the Hamiltonian matrix whose diagonalization results in the complete low-energy (bending) vibronic spectrum. The main result of the present study is the proof that the diabatization scheme, hidden beneath the apparent simplicity of the model, can safely be carried out, at small-amplitude bending vibrations, without cumbersome computation of non-adiabatic matrix elements at large number of molecular geometries.

Optoelectronics of inverted type-I CdS/CdSe core/crown quantum ring

NASA Astrophysics Data System (ADS)

Bose, Sumanta; Fan, Weijun; Zhang, Dao Hua

2017-10-01

Inverted type-I heterostructure core/crown quantum rings (QRs) are quantum-efficient luminophores, whose spectral characteristics are highly tunable. Here, we study the optoelectronic properties of type-I core/crown CdS/CdSe QRs in the zincblende phase—over contrasting lateral size and crown width. For this, we inspect their strain profiles, transition energies, transition matrix elements, spatial charge densities, electronic bandstructures, band-mixing probabilities, optical gain spectra, maximum optical gains, and differential optical gains. Our framework uses an effective-mass envelope function theory based on the 8-band k ṡ p method employing the valence force field model for calculating the atomic strain distributions. The gain calculations are based on the density-matrix equation and take into consideration the excitonic effects with intraband scattering. Variations in the QR lateral size and relative widths of core and crown (ergo the composition) affect their energy levels, band-mixing probabilities, optical transition matrix elements, emission wavelengths/intensities, etc. The optical gain of QRs is also strongly dimension and composition dependent with further dependency on the injection carrier density causing the band-filling effect. They also affect the maximum and differential gain at varying dimensions and compositions.

Scattering Matrix Elements for the Nonadiabatic Collision

DTIC Science & Technology

2010-12-01

orthogonality relationship expressed in (77). This technique, known as the Channel Packet Method (CPM), is laid out by Weeks and Tannor [2...time and energy are Fourier transform pairs, and share the same relationship as the coordinate/momentum pairs: max min 2E t t π ∆ = − (99) As...elements, will exibit ringing. Selection of an inappropriatly large time step introduces an erroneous phase shift in the correlation funtion . This

Elemental Spectra from the First ATIC Flight

NASA Technical Reports Server (NTRS)

Ahn, H. S.; Adams, J. H.; Bashindzhagyan, G.; Batkov, K. E.; Changv, J.; Christl, M.; Fazely, A. R.; Ganel, O.; Gunasingha, R. M.; Guzik, T. G.

2005-01-01

The Advanced Thin Ionization Calorimeter (ATIC) instrument is a balloon-borne experiment designed to measure the composition and energy spectra of Z = l to 26 cosmic rays over the energy range from approx. 10(exp 11) to approx. 10(exp 14) eV. The instrument consists of a silicon matrix charge detector, plastic scintillator strip hodoscopes interleaved with graphite interaction targets, and a fully active Bismuth Germanate (BGO) calorimeter. ATIC had two successful Long Duration Balloon flights launched from McMurdo Station, Antarctica in 2000 and 2002. In this paper, spectra of various elements measured during the first 16 day flight are presented.

Precision Measurement of the Neutron Twist-3 Matrix Element dn2: Probing Color Forces

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

Posik, Matthew; Flay, David; Parno, Diana

2014-07-01

Double-spin asymmetries and absolute cross sections were measured at large Bjorken x (0.25 lte x lte 0.90), in both the deep-inelastic and resonance regions, by scattering longitudinally polarized electrons at beam energies of 4.7 and 5.9 GeV from a transversely and longitudinally polarized 3He target. In this dedicated experiment, the spin structure function g2 on 3He was determined with precision at large x, and the neutron twist-three matrix element dn2 was measured at ?Q2? of 3.21 and 4.32 GeV2/c2, with an absolute precision of about 10?5. Our results are found to be in agreement with lattice QCD calculations and resolvemore » the disagreement found with previous data at ?Q2?= 5 GeV2/c2. Combining dn2 and a newly extracted twist-four matrix element, fn2, the average neutron color electric and magnetic forces were extracted and found to be of opposite sign and about 60 MeV/fm in magnitude.« less

Quantum Monte Carlo calculations of electromagnetic transitions in $^8$Be with meson-exchange currents derived from chiral effective field theory

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

Pastore, S.; Wiringa, Robert B.; Pieper, Steven C.

2014-08-01

We report quantum Monte Carlo calculations of electromagnetic transitions inmore » $^8$Be. The realistic Argonne $$v_{18}$$ two-nucleon and Illinois-7 three-nucleon potentials are used to generate the ground state and nine excited states, with energies that are in excellent agreement with experiment. A dozen $M1$ and eight $E2$ transition matrix elements between these states are then evaluated. The $E2$ matrix elements are computed only in impulse approximation, with those transitions from broad resonant states requiring special treatment. The $M1$ matrix elements include two-body meson-exchange currents derived from chiral effective field theory, which typically contribute 20--30\\% of the total expectation value. Many of the transitions are between isospin-mixed states; the calculations are performed for isospin-pure states and then combined with the empirical mixing coefficients to compare to experiment. In general, we find that transitions between states that have the same dominant spatial symmetry are in decent agreement with experiment, but those transitions between different spatial symmetries are often significantly underpredicted.« less

Spin-1 Particles and Perturbative QCD

NASA Astrophysics Data System (ADS)

de Melo, J. P. B. C.; Frederico, T.; Ji, Chueng-Ryong

2018-07-01

Due to the angular condition in the light-front dynamics (LFD), the extraction of the electromagnetic form factors for spin-1 particles can be uniquely determined taking into account implicitly non-valence and/or the zero-mode contributions to the matrix elements of the electromagnetic current. No matter which matrix elements of the electromagnetic current is used to extract the electromagnetic form factors, the same unique result is obtained. As physical observables, the electromagnetic form factors obtained from matrix elements of the current in LFD must be equal to those obtained in the instant form calculations. Recently, the Babar collaboration (Phys Rev D 78:071103, 2008) has analyzed the reaction e^+ + e^-→ ρ ^+ + ρ ^- at √{s}=10.58 GeV to measure the cross section as well as the ratios of the helicity amplitudes F_{λ 'λ }. We present our recent analysis of the Babar data for the rho meson considering the angular condition in LFD to put a stringent test on the onset of asymptotic perturbative QCD and predict the energy regime where the subleading contributions are still considerable.

Quadrupole collectivity in 42Ca from low-energy Coulomb excitation with AGATA

NASA Astrophysics Data System (ADS)

Hadyńska-Klęk, K.; Napiorkowski, P. J.; Zielińska, M.; Srebrny, J.; Maj, A.; Azaiez, F.; Valiente Dobón, J. J.; Kicińska-Habior, M.; Nowacki, F.; Naïdja, H.; Bounthong, B.; Rodríguez, T. R.; de Angelis, G.; Abraham, T.; Anil Kumar, G.; Bazzacco, D.; Bellato, M.; Bortolato, D.; Bednarczyk, P.; Benzoni, G.; Berti, L.; Birkenbach, B.; Bruyneel, B.; Brambilla, S.; Camera, F.; Chavas, J.; Cederwall, B.; Charles, L.; Ciemała, M.; Cocconi, P.; Coleman-Smith, P.; Colombo, A.; Corsi, A.; Crespi, F. C. L.; Cullen, D. M.; Czermak, A.; Désesquelles, P.; Doherty, D. T.; Dulny, B.; Eberth, J.; Farnea, E.; Fornal, B.; Franchoo, S.; Gadea, A.; Giaz, A.; Gottardo, A.; Grave, X.; Grębosz, J.; Görgen, A.; Gulmini, M.; Habermann, T.; Hess, H.; Isocrate, R.; Iwanicki, J.; Jaworski, G.; Judson, D. S.; Jungclaus, A.; Karkour, N.; Kmiecik, M.; Karpiński, D.; Kisieliński, M.; Kondratyev, N.; Korichi, A.; Komorowska, M.; Kowalczyk, M.; Korten, W.; Krzysiek, M.; Lehaut, G.; Leoni, S.; Ljungvall, J.; Lopez-Martens, A.; Lunardi, S.; Maron, G.; Mazurek, K.; Menegazzo, R.; Mengoni, D.; Merchán, E.; Męczyński, W.; Michelagnoli, C.; Million, B.; Myalski, S.; Napoli, D. R.; Niikura, M.; Obertelli, A.; Özmen, S. F.; Palacz, M.; Próchniak, L.; Pullia, A.; Quintana, B.; Rampazzo, G.; Recchia, F.; Redon, N.; Reiter, P.; Rosso, D.; Rusek, K.; Sahin, E.; Salsac, M.-D.; Söderström, P.-A.; Stefan, I.; Stézowski, O.; Styczeń, J.; Theisen, Ch.; Toniolo, N.; Ur, C. A.; Wadsworth, R.; Wasilewska, B.; Wiens, A.; Wood, J. L.; Wrzosek-Lipska, K.; Ziębliński, M.

2018-02-01

A Coulomb-excitation experiment to study electromagnetic properties of 42Ca was performed using a 170-MeV calcium beam from the TANDEM XPU facility at INFN Laboratori Nazionali di Legnaro. γ rays from excited states in 42Ca were measured with the AGATA spectrometer. The magnitudes and relative signs of ten E 2 matrix elements coupling six low-lying states in 42Ca, including the diagonal E 2 matrix elements of 21+ and 22+ states, were determined using the least-squares code gosia. The obtained set of reduced E 2 matrix elements was analyzed using the quadrupole sum rule method and yielded overall quadrupole deformation for 01,2 + and 21,2 + states, as well as triaxiality for 01,2 + states, establishing the coexistence of a weakly deformed ground-state band and highly deformed slightly triaxial sideband in 42Ca. The experimental results were compared with the state-of-the-art large-scale shell-model and beyond-mean-field calculations, which reproduce well the general picture of shape coexistence in 42Ca.

Collectivity in the light radon nuclei measured directly via Coulomb excitation

NASA Astrophysics Data System (ADS)

Gaffney, L. P.; Robinson, A. P.; Jenkins, D. G.; Andreyev, A. N.; Bender, M.; Blazhev, A.; Bree, N.; Bruyneel, B.; Butler, P. A.; Cocolios, T. E.; Davinson, T.; Deacon, A. N.; De Witte, H.; DiJulio, D.; Diriken, J.; Ekström, A.; Fransen, Ch.; Freeman, S. J.; Geibel, K.; Grahn, T.; Hadinia, B.; Hass, M.; Heenen, P.-H.; Hess, H.; Huyse, M.; Jakobsson, U.; Kesteloot, N.; Konki, J.; Kröll, Th.; Kumar, V.; Ivanov, O.; Martin-Haugh, S.; Mücher, D.; Orlandi, R.; Pakarinen, J.; Petts, A.; Peura, P.; Rahkila, P.; Reiter, P.; Scheck, M.; Seidlitz, M.; Singh, K.; Smith, J. F.; Van de Walle, J.; Van Duppen, P.; Voulot, D.; Wadsworth, R.; Warr, N.; Wenander, F.; Wimmer, K.; Wrzosek-Lipska, K.; Zielińska, M.

2015-06-01

Background: Shape coexistence in heavy nuclei poses a strong challenge to state-of-the-art nuclear models, where several competing shape minima are found close to the ground state. A classic region for investigating this phenomenon is in the region around Z =82 and the neutron midshell at N =104 . Purpose: Evidence for shape coexistence has been inferred from α -decay measurements, laser spectroscopy, and in-beam measurements. While the latter allow the pattern of excited states and rotational band structures to be mapped out, a detailed understanding of shape coexistence can only come from measurements of electromagnetic matrix elements. Method: Secondary, radioactive ion beams of 202Rn and 204Rn were studied by means of low-energy Coulomb excitation at the REX-ISOLDE in CERN. Results: The electric-quadrupole (E 2 ) matrix element connecting the ground state and first excited 21+ state was extracted for both 202Rn and 204Rn, corresponding to B (E 2 ;21+→01+) =29-8+8 and 43-12+17 W.u., respectively. Additionally, E 2 matrix elements connecting the 21+ state with the 41+ and 22+ states were determined in 202Rn. No excited 0+ states were observed in the current data set, possibly owing to a limited population of second-order processes at the currently available beam energies. Conclusions: The results are discussed in terms of collectivity and the deformation of both nuclei studied is deduced to be weak, as expected from the low-lying level-energy schemes. Comparisons are also made to state-of-the-art beyond-mean-field model calculations and the magnitude of the transitional quadrupole moments are well reproduced.

Probabilistic homogenization of random composite with ellipsoidal particle reinforcement by the iterative stochastic finite element method

NASA Astrophysics Data System (ADS)

Sokołowski, Damian; Kamiński, Marcin

2018-01-01

This study proposes a framework for determination of basic probabilistic characteristics of the orthotropic homogenized elastic properties of the periodic composite reinforced with ellipsoidal particles and a high stiffness contrast between the reinforcement and the matrix. Homogenization problem, solved by the Iterative Stochastic Finite Element Method (ISFEM) is implemented according to the stochastic perturbation, Monte Carlo simulation and semi-analytical techniques with the use of cubic Representative Volume Element (RVE) of this composite containing single particle. The given input Gaussian random variable is Young modulus of the matrix, while 3D homogenization scheme is based on numerical determination of the strain energy of the RVE under uniform unit stretches carried out in the FEM system ABAQUS. The entire series of several deterministic solutions with varying Young modulus of the matrix serves for the Weighted Least Squares Method (WLSM) recovery of polynomial response functions finally used in stochastic Taylor expansions inherent for the ISFEM. A numerical example consists of the High Density Polyurethane (HDPU) reinforced with the Carbon Black particle. It is numerically investigated (1) if the resulting homogenized characteristics are also Gaussian and (2) how the uncertainty in matrix Young modulus affects the effective stiffness tensor components and their PDF (Probability Density Function).

A Data Matrix Method for Improving the Quantification of Element Percentages of SEM/EDX Analysis

NASA Technical Reports Server (NTRS)

Lane, John

2009-01-01

A simple 2D M N matrix involving sample preparation enables the microanalyst to peer below the noise floor of element percentages reported by the SEM/EDX (scanning electron microscopy/ energy dispersive x-ray) analysis, thus yielding more meaningful data. Using the example of a 2 3 sample set, there are M = 2 concentration levels of the original mix under test: 10 percent ilmenite (90 percent silica) and 20 percent ilmenite (80 percent silica). For each of these M samples, N = 3 separate SEM/EDX samples were drawn. In this test, ilmenite is the element of interest. By plotting the linear trend of the M sample s known concentration versus the average of the N samples, a much higher resolution of elemental analysis can be performed. The resulting trend also shows how the noise is affecting the data, and at what point (of smaller concentrations) is it impractical to try to extract any further useful data.

Matrix elements and duality for type 2 unitary representations of the Lie superalgebra gl(m|n)

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

Werry, Jason L.; Gould, Mark D.; Isaac, Phillip S.

The characteristic identity formalism discussed in our recent articles is further utilized to derive matrix elements of type 2 unitary irreducible gl(m|n) modules. In particular, we give matrix element formulae for all gl(m|n) generators, including the non-elementary generators, together with their phases on finite dimensional type 2 unitary irreducible representations which include the contravariant tensor representations and an additional class of essentially typical representations. Remarkably, we find that the type 2 unitary matrix element equations coincide with the type 1 unitary matrix element equations for non-vanishing matrix elements up to a phase.

Isotropic matrix elements of the collision integral for the Boltzmann equation

NASA Astrophysics Data System (ADS)

Ender, I. A.; Bakaleinikov, L. A.; Flegontova, E. Yu.; Gerasimenko, A. B.

2017-09-01

We have proposed an algorithm for constructing matrix elements of the collision integral for the nonlinear Boltzmann equation isotropic in velocities. These matrix elements have been used to start the recurrent procedure for calculating matrix elements of the velocity-nonisotropic collision integral described in our previous publication. In addition, isotropic matrix elements are of independent interest for calculating isotropic relaxation in a number of physical kinetics problems. It has been shown that the coefficients of expansion of isotropic matrix elements in Ω integrals are connected by the recurrent relations that make it possible to construct the procedure of their sequential determination.

Tritium β decay in chiral effective field theory

DOE PAGES

Baroni, A.; Girlanda, L.; Kievsky, A.; ...

2016-08-18

We evaluate the Fermi and Gamow-Teller (GT) matrix elements in tritiummore » $$\\beta$$-decay by including in the charge-changing weak current the corrections up to one loop recently derived in nuclear chiral effective field theory ($$\\chi$$ EFT). The trinucleon wave functions are obtained from hyperspherical-harmonics solutions of the Schroedinger equation with two- and three-nucleon potentials corresponding to either $$\\chi$$ EFT (the N3LO/N2LO combination) or meson-exchange phenomenology (the AV18/UIX combination). We find that contributions due to loop corrections in the axial current are, in relative terms, as large as (and in some cases, dominate) those from one-pion exchange, which nominally occur at lower order in the power counting. Furthermore, we also provide values for the low-energy constants multiplying the contact axial current and three-nucleon potential, required to reproduce the experimental GT matrix element and trinucleon binding energies in the N3LO/N2LO and AV18/UIX calculations.« less

Analysis of local delaminations caused by angle ply matrix cracks

NASA Technical Reports Server (NTRS)

Salpekar, Satish A.; Obrien, T. Kevin; Shivakumar, K. N.

1993-01-01

Two different families of graphite/epoxy laminates with similar layups but different stacking sequences, (0,theta,-theta) sub s and (-theta/theta/0) sub s were analyzed using three-dimensional finite element analysis for theta = 15 and 30 degrees. Delaminations were modeled in the -theta/theta interface, bounded by a matrix crack and the stress free edge. The total strain energy release rate, G, along the delamination front was computed using three different techniques: the virtual crack closure technique (VCCT), the equivalent domain Integral (EDI) technique, and a global energy balance technique. The opening fracture mode component of the strain energy release rate, Gl, along the delamination front was also computed for various delamination lengths using VCCT. The effect of residual thermal and moisture stresses on G was evaluated.

B(M1) values in the band-crossing of shears bands in 197Pb

NASA Astrophysics Data System (ADS)

Krücken, R.; Cooper, J. R.; Beausang, C. W.; Novak, J. R.; Dewald, A.; Klug, T.; Kemper, G.; von Brentano, P.; Carpenter, M.; Wiedenhöver, I.

We present details of the band crossing mechanism of shears bands using the example of 197Pb. Absolute reduced matrix elements B(M1) were determined by means of a RDM lifetime measurement in one of the shears bands in 197Pb. The experiment was performed using the New Yale Plunger Device (NYPD) in conjunction with the Gammasphere array. Band mixing calculations on the basis of the semi-classical model of the shears mechanism are used to describe the transition matrix elements B(M1) and energies throughout the band-crossing regions. Good agreement with the data was obtained and the detailed composition of the states in the shears band are discussed.

Differential cross sections and polarization observables from CLAS K *photoproduction and the search for new N* states

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

Anisovich, A. V.

The reactionmore » $$\\gamma p \\to K^{*+} \\Lambda$$ was measured using the CLAS detector for photon energies between the threshold and 3.9 GeV at the Thomas Jefferson National Accelerator Facility. For the first time, spin-density matrix elements have been extracted for this reaction. Differential cross sections, spin density matrix elements, and the $$\\Lambda$$ recoil polarization are compared with theoretical predictions using the BnGa partial wave analysis. The main result is the evidence for significant contributions from $N(1895)1/2^-$ and $N(2100)1/2^+$ to the reaction. Branching ratios for decays into $$K^*\\Lambda$$ for these resonances and further resonances are reported.« less

Line mixing in a N2-broadened CO2 Q branch observed with a tunable diode laser

NASA Technical Reports Server (NTRS)

Gentry, Bruce; Strow, L. Larrabee

1987-01-01

Line-mixing effects have been observed in the infrared Q branch of the (11/1/0,03/1/0)I-00/0/0 band of CO2 at 2076/cm. A tunable diode laser spectrometer was used to record spectra of CO2 broadened by N2 and O2 at total pressures ranging from 100 to 720 torr. The observed absorption coefficients are up to 65 percent lower than those calculated using an isolated Lorentzian line approximation. A simple energy gap scaling law is used to determine the off-diagonal relaxation matrix elements from the known pressure-broadening coefficients. The spectra calculated using these matrix elements reproduces the observed absorption coefficients to within several percent.

Differential cross sections and polarization observables from CLAS K *photoproduction and the search for new N* states

DOE PAGES

Anisovich, A. V.

2017-05-16

The reactionmore » $$\\gamma p \\to K^{*+} \\Lambda$$ was measured using the CLAS detector for photon energies between the threshold and 3.9 GeV at the Thomas Jefferson National Accelerator Facility. For the first time, spin-density matrix elements have been extracted for this reaction. Differential cross sections, spin density matrix elements, and the $$\\Lambda$$ recoil polarization are compared with theoretical predictions using the BnGa partial wave analysis. The main result is the evidence for significant contributions from $N(1895)1/2^-$ and $N(2100)1/2^+$ to the reaction. Branching ratios for decays into $$K^*\\Lambda$$ for these resonances and further resonances are reported.« less

Analysis of delamination in cross ply laminates initiating from impact induced matrix cracking

NASA Technical Reports Server (NTRS)

Salpekar, S. A.

1991-01-01

Several two dimensional finite element analyses of (0 sub 2/90 sub 8/0 sub 2) glass/epoxy and graphite-epoxy composite laminates were performed to study some of the characteristics of damage development due to an impact load. A cross section through the thickness of the laminate with fixed ends, and carrying a transverse load in the center was analyzed. Inclined matrix cracks such as those produced by low velocity impact were modeled in the 90 deg ply group. The introduction of the matrix cracks caused large interlaminar tension and shear stresses in the vicinity of both crack tips in the 0/90 and 90/0 interfaces. The large interlaminar stresses at the ends of the matrix cracks indicate that matrix cracking may give rise to delamination. The ratio of mode I to total strain energy release rate at the beginning of delamination calculated at the two matrix crack tips was 60 and 28 pct., respectively, in the glass/epoxy laminate. The corresponding ratio was 97 and 77 pct. in the graphite-epoxy laminate. Thus, a significant mode I component of strain energy release rate may be present at the delamination initiation due to an impact load.

Apparatus and method for identification of matrix materials in which transuranic elements are embedded using thermal neutron capture gamma-ray emission

DOEpatents

Close, D.A.; Franks, L.A.; Kocimski, S.M.

1984-08-16

An invention is described that enables the quantitative simultaneous identification of the matrix materials in which fertile and fissile nuclides are embedded to be made along with the quantitative assay of the fertile and fissile materials. The invention also enables corrections for any absorption of neutrons by the matrix materials and by the measurement apparatus by the measurement of the prompt and delayed neutron flux emerging from a sample after the sample is interrogated by simultaneously applied neutrons and gamma radiation. High energy electrons are directed at a first target to produce gamma radiation. A second target receives the resulting pulsed gamma radiation and produces neutrons from the interaction with the gamma radiation. These neutrons are slowed by a moderator surrounding the sample and bathe the sample uniformly, generating second gamma radiation in the interaction. The gamma radiation is then resolved and quantitatively detected, providing a spectroscopic signature of the constituent elements contained in the matrix and in the materials within the vicinity of the sample. (LEW)

KANTBP: A program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach

NASA Astrophysics Data System (ADS)

Chuluunbaatar, O.; Gusev, A. A.; Abrashkevich, A. G.; Amaya-Tapia, A.; Kaschiev, M. S.; Larsen, S. Y.; Vinitsky, S. I.

2007-10-01

A FORTRAN 77 program is presented which calculates energy values, reaction matrix and corresponding radial wave functions in a coupled-channel approximation of the hyperspherical adiabatic approach. In this approach, a multi-dimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on the finite interval with homogeneous boundary conditions of the third type. The resulting system of radial equations which contains the potential matrix elements and first-derivative coupling terms is solved using high-order accuracy approximations of the finite-element method. As a test desk, the program is applied to the calculation of the energy values and reaction matrix for an exactly solvable 2D-model of three identical particles on a line with pair zero-range potentials. Program summaryProgram title: KANTBP Catalogue identifier: ADZH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 4224 No. of bytes in distributed program, including test data, etc.: 31 232 Distribution format: tar.gz Programming language: FORTRAN 77 Computer: Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IV Operating system: OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XP RAM: depends on (a) the number of differential equations; (b) the number and order of finite-elements; (c) the number of hyperradial points; and (d) the number of eigensolutions required. Test run requires 30 MB Classification: 2.1, 2.4 External routines: GAULEG and GAUSSJ [W.H. Press, B.F. Flanery, S.A. Teukolsky, W.T. Vetterley, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986] Nature of problem: In the hyperspherical adiabatic approach [J. Macek, J. Phys. B 1 (1968) 831-843; U. Fano, Rep. Progr. Phys. 46 (1983) 97-165; C.D. Lin, Adv. Atom. Mol. Phys. 22 (1986) 77-142], a multi-dimensional Schrödinger equation for a two-electron system [A.G. Abrashkevich, D.G. Abrashkevich, M. Shapiro, Comput. Phys. Comm. 90 (1995) 311-339] or a hydrogen atom in magnetic field [M.G. Dimova, M.S. Kaschiev, S.I. Vinitsky, J. Phys. B 38 (2005) 2337-2352] is reduced by separating the radial coordinate ρ from the angular variables to a system of second-order ordinary differential equations which contain potential matrix elements and first-derivative coupling terms. The purpose of this paper is to present the finite-element method procedure based on the use of high-order accuracy approximations for calculating approximate eigensolutions for such systems of coupled differential equations. Solution method: The boundary problems for coupled differential equations are solved by the finite-element method using high-order accuracy approximations [A.G. Abrashkevich, D.G. Abrashkevich, M.S. Kaschiev, I.V. Puzynin, Comput. Phys. Comm. 85 (1995) 40-64]. The generalized algebraic eigenvalue problem AF=EBF with respect to pair unknowns ( E,F) arising after the replacement of the differential problem by the finite-element approximation is solved by the subspace iteration method using the SSPACE program [K.J. Bathe, Finite Element Procedures in Engineering Analysis, Englewood Cliffs, Prentice-Hall, New York, 1982]. The generalized algebraic eigenvalue problem (A-EB)F=λDF with respect to pair unknowns (λ,F) arising after the corresponding replacement of the scattering boundary problem in open channels at fixed energy value, E, is solved by the LDL factorization of symmetric matrix and back-substitution methods using the DECOMP and REDBAK programs, respectively [K.J. Bathe, Finite Element Procedures in Engineering Analysis, Englewood Cliffs, Prentice-Hall, New York, 1982]. As a test desk, the program is applied to the calculation of the energy values and reaction matrix for an exactly solvable 2D-model of three identical particles on a line with pair zero-range potentials described in [Yu. A. Kuperin, P.B. Kurasov, Yu.B. Melnikov, S.P. Merkuriev, Ann. Phys. 205 (1991) 330-361; O. Chuluunbaatar, A.A. Gusev, S.Y. Larsen, S.I. Vinitsky, J. Phys. A 35 (2002) L513-L525; N.P. Mehta, J.R. Shepard, Phys. Rev. A 72 (2005) 032728-1-11; O. Chuluunbaatar, A.A. Gusev, M.S. Kaschiev, V.A. Kaschieva, A. Amaya-Tapia, S.Y. Larsen, S.I. Vinitsky, J. Phys. B 39 (2006) 243-269]. For this benchmark model the needed analytical expressions for the potential matrix elements and first-derivative coupling terms, their asymptotics and asymptotics of radial solutions of the boundary problems for coupled differential equations have been produced with help of a MAPLE computer algebra system. Restrictions: The computer memory requirements depend on: (a) the number of differential equations; (b) the number and order of finite-elements; (c) the total number of hyperradial points; and (d) the number of eigensolutions required. Restrictions due to dimension sizes may be easily alleviated by altering PARAMETER statements (see Long Write-Up and listing for details). The user must also supply subroutine POTCAL for evaluating potential matrix elements. The user should supply subroutines ASYMEV (when solving the eigenvalue problem) or ASYMSC (when solving the scattering problem) that evaluate the asymptotics of the radial wave functions at the right boundary point in case of a boundary condition of the third type, respectively. Running time: The running time depends critically upon: (a) the number of differential equations; (b) the number and order of finite-elements; (c) the total number of hyperradial points on interval [0,ρ]; and (d) the number of eigensolutions required. The test run which accompanies this paper took 28.48 s without calculation of matrix potentials on the Intel Pentium IV 2.4 GHz.

Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies

NASA Astrophysics Data System (ADS)

Felker, Peter M.; Bačić, Zlatko

2017-09-01

We present methodology for variational calculation of the 6 n -dimensional translation-rotation (TR) eigenstates of assemblies of n H2O@C60 moieties coupled by dipole-dipole interactions. We show that the TR Hamiltonian matrix for any n can be constructed from dipole-dipole matrix elements computed for n = 2 . We present results for linear H2O@C60 assemblies. Two classes of eigenstates are revealed. One class comprises excitations of the 111 rotational level of H2O. The lowest-energy 111 -derived eigenstate for each assembly exhibits significant dipole ordering and shifts down in energy with the assembly size.

Characteristics of Matrix Metals in Which Fast Diffusion of Foreign Metallic Elements Occurs

NASA Astrophysics Data System (ADS)

Mae, Yoshiharu

2018-04-01

A few foreign elements are known to diffuse faster than the self-diffusion of the matrix metal. However, the characteristics of the matrix metal, which contribute to such fast diffusion remain unknown. In this study, the diffusion coefficients of various elements were plotted on a TC-YM diagram. The matrix metals that show fast diffusion are located in the low thermal conductivity range of the TC-YM diagram, while diffuser elements that undergo fast diffusion are mainly gulf elements such as Fe, Ni, Co, Cr, and Cu. The gulf elements are those that show the largest combination of thermal conductivity and Young's modulus. The great difference in the electron mobility between the matrix metal and diffuser elements generates a repulsive force between them, and the repulsive force—acting between the soft and large atoms of the matrix metal and the hard and small atoms of the diffuser elements—deforms the atoms of the matrix metal to open passageways for fast diffusion of diffuser elements.

Acceleration of intensity-modulated radiotherapy dose calculation by importance sampling of the calculation matrices.

PubMed

Thieke, Christian; Nill, Simeon; Oelfke, Uwe; Bortfeld, Thomas

2002-05-01

In inverse planning for intensity-modulated radiotherapy, the dose calculation is a crucial element limiting both the maximum achievable plan quality and the speed of the optimization process. One way to integrate accurate dose calculation algorithms into inverse planning is to precalculate the dose contribution of each beam element to each voxel for unit fluence. These precalculated values are stored in a big dose calculation matrix. Then the dose calculation during the iterative optimization process consists merely of matrix look-up and multiplication with the actual fluence values. However, because the dose calculation matrix can become very large, this ansatz requires a lot of computer memory and is still very time consuming, making it not practical for clinical routine without further modifications. In this work we present a new method to significantly reduce the number of entries in the dose calculation matrix. The method utilizes the fact that a photon pencil beam has a rapid radial dose falloff, and has very small dose values for the most part. In this low-dose part of the pencil beam, the dose contribution to a voxel is only integrated into the dose calculation matrix with a certain probability. Normalization with the reciprocal of this probability preserves the total energy, even though many matrix elements are omitted. Three probability distributions were tested to find the most accurate one for a given memory size. The sampling method is compared with the use of a fully filled matrix and with the well-known method of just cutting off the pencil beam at a certain lateral distance. A clinical example of a head and neck case is presented. It turns out that a sampled dose calculation matrix with only 1/3 of the entries of the fully filled matrix does not sacrifice the quality of the resulting plans, whereby the cutoff method results in a suboptimal treatment plan.

Relativistic calculation of correlational energy for a helium-like atom

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

Palchikov, V.G.

This paper presents an analytical method for calculating the firstorder correlational energy from the electron interaction, taking account of lag effects. Explicit analytical expressions are obtained for radial matrix elements. The nonrelativistic limit is investigated. The given method may be used to calculate correlation effects in higher orders of perturbation theory (second and higher orders with respect to 1/z) using the Strum expansion for the Coulomb Green's functions.

Excitation energy spectrum in helium II

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

Lu, P.; Chan, C.K.

1979-11-01

We obtain the roton part of the excitation energy spectrum in He II qualitatively. We point out that the distinct difference between this calculation and that of Parry and Ter Haar is that we do not use the Born approximation in the evaluation of t-matrix elements. We found that in addition to the contribution due to the hard-core part, the attractive potential helps to form the roton dip.

Faults and foibles of quantitative scanning electron microscopy/energy dispersive x-ray spectrometry (SEM/EDS)

NASA Astrophysics Data System (ADS)

Newbury, Dale E.; Ritchie, Nicholas W. M.

2012-06-01

Scanning electron microscopy with energy dispersive x-ray spectrometry (SEM/EDS) is a powerful and flexible elemental analysis method that can identify and quantify elements with atomic numbers > 4 (Be) present as major constituents (where the concentration C > 0.1 mass fraction, or 10 weight percent), minor (0.01<= C <= 0.1) and trace (C < 0.01, with a minimum detectable limit of ~+/- 0.0005 - 0.001 under routine measurement conditions, a level which is analyte and matrix dependent ). SEM/EDS can select specimen volumes with linear dimensions from ~ 500 nm to 5 μm depending on composition (masses ranging from ~ 10 pg to 100 pg) and can provide compositional maps that depict lateral elemental distributions. Despite the maturity of SEM/EDS, which has a history of more than 40 years, and the sophistication of modern analytical software, the method is vulnerable to serious shortcomings that can lead to incorrect elemental identifications and quantification errors that significantly exceed reasonable expectations. This paper will describe shortcomings in peak identification procedures, limitations on the accuracy of quantitative analysis due to specimen topography or failures in physical models for matrix corrections, and quantitative artifacts encountered in xray elemental mapping. Effective solutions to these problems are based on understanding the causes and then establishing appropriate measurement science protocols. NIST DTSA II and Lispix are open source analytical software available free at www.nist.gov that can aid the analyst in overcoming significant limitations to SEM/EDS.

Transition sum rules in the shell model

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

Lu, Yi; Johnson, Calvin W.

An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy- weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, in the case of the EWSR a double commutator. While most prior applications of the double-commutator have been to special cases, we derive general formulas for matrix elements of bothmore » operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We then apply this simple tool to a number of nuclides, and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E1) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground state electric quadrupole (E2) centroids in the $sd$-shell.« less

Transition sum rules in the shell model

DOE PAGES

Lu, Yi; Johnson, Calvin W.

2018-03-29

An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy- weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, in the case of the EWSR a double commutator. While most prior applications of the double-commutator have been to special cases, we derive general formulas for matrix elements of bothmore » operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We then apply this simple tool to a number of nuclides, and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E1) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground state electric quadrupole (E2) centroids in the $sd$-shell.« less

Finite element mesh refinement criteria for stress analysis

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.

1990-01-01

This paper discusses procedures for finite-element mesh selection and refinement. The objective is to improve accuracy. The procedures are based on (1) the minimization of the stiffness matrix race (optimizing node location); (2) the use of h-version refinement (rezoning, element size reduction, and increasing the number of elements); and (3) the use of p-version refinement (increasing the order of polynomial approximation of the elements). A step-by-step procedure of mesh selection, improvement, and refinement is presented. The criteria for 'goodness' of a mesh are based on strain energy, displacement, and stress values at selected critical points of a structure. An analysis of an aircraft lug problem is presented as an example.

Charge Resolution of the Silicon Matrix of the ATIC Experiment

NASA Technical Reports Server (NTRS)

Zatsepin, V. I.; Adams, J. H., Jr.; Ahn, H. S.; Bashindzhagyan, G. L.; Batkov, K. E.; Case, G.; Christl, M.; Ganel, O.; Fazely, A. R.; Ganel, O.;

Impact analysis of natural fiber and synthetic fiber reinforced polymer composite

NASA Astrophysics Data System (ADS)

Sangamesh, Ravishankar, K. S.; Kulkarni, S. M.

2018-05-01

Impact analysis of the composite structure is essential for many fields like automotive, aerospace and naval structure which practically difficult to characterize. In the present study impact analysis of carbon-epoxy (CE) and jute-epoxy (JE) laminates were studied for three different thicknesses. The 3D finite element model was adopted to study the impact forces experienced, energy absorption and fracture behavior of the laminated composites. These laminated composites modeled as a 3D deformable solid element and an impactor at a constant velocity were modeled as a discrete rigid element. The energy absorption and fracture behaviors for various material combinations and thickness were studied. The fracture behavior of these composite showed progressive damage with matrix failure at the initial stage followed by complete fiber breakage.

Revised Energy Spectra for Primary Elements, H - Si, above 50 GeV from the ATIC-2 Science Flight

NASA Technical Reports Server (NTRS)

Wefel, J. P.; Adams, J. H., Jr.; Ahn, H. S.; Bashindzhagyan, G. L.; Chang, J.; Christl, M.; Fazely, A. R.; Ganel, O.; Gunashingha, R. M.; Guzik, T. G.;

Thermal shock induced dynamics of a spacecraft with a flexible deploying boom

NASA Astrophysics Data System (ADS)

Shen, Zhenxing; Li, Huijian; Liu, Xiaoning; Hu, Gengkai

2017-12-01

The dynamics in the process of deployment of a flexible extendible boom as a deployable structure on the spacecraft is studied. For determining the thermally induced vibrations of the boom subjected to an incident solar heat flux, an axially moving thermal-dynamic beam element based on the absolute nodal coordinate formulation which is able to precisely describe the large displacement, rotation and deformation of flexible body is presented. For the elastic forces formulation of variable-length beam element, the enhanced continuum mechanics approach is adopted, which can eliminate the Poisson locking effect, and take into account the tension-bending-torsion coupling deformations. The main body of the spacecraft, modeled as a rigid body, is described using the natural coordinates method. In the derived nonlinear thermal-dynamic equations of rigid-flexible multibody system, the mass matrix is time-variant, and a pseudo damping matrix which is without actual energy dissipation, and a heat conduction matrix which is relative to the moving speed and the number of beam element are arisen. Numerical results give the dynamic and thermal responses of the nonrotating and spinning spacecraft, respectively, and show that thermal shock has a significant influence on the dynamics of spacecraft.

Precision measurement of the neutron twist-3 matrix element d(2)(n): probing color forces.

PubMed

Posik, M; Flay, D; Parno, D S; Allada, K; Armstrong, W; Averett, T; Benmokhtar, F; Bertozzi, W; Camsonne, A; Canan, M; Cates, G D; Chen, C; Chen, J-P; Choi, S; Chudakov, E; Cusanno, F; Dalton, M M; Deconinck, W; de Jager, C W; Deng, X; Deur, A; Dutta, C; El Fassi, L; Franklin, G B; Friend, M; Gao, H; Garibaldi, F; Gilad, S; Gilman, R; Glamazdin, O; Golge, S; Gomez, J; Guo, L; Hansen, O; Higinbotham, D W; Holmstrom, T; Huang, J; Hyde, C; Ibrahim, H F; Jiang, X; Jin, G; Katich, J; Kelleher, A; Kolarkar, A; Korsch, W; Kumbartzki, G; LeRose, J J; Lindgren, R; Liyanage, N; Long, E; Lukhanin, A; Mamyan, V; McNulty, D; Meziani, Z-E; Michaels, R; Mihovilovič, M; Moffit, B; Muangma, N; Nanda, S; Narayan, A; Nelyubin, V; Norum, B; Nuruzzaman; Oh, Y; Peng, J C; Qian, X; Qiang, Y; Rakhman, A; Riordan, S; Saha, A; Sawatzky, B; Shabestari, M H; Shahinyan, A; Širca, S; Solvignon, P; Subedi, R; Sulkosky, V; Tobias, W A; Troth, W; Wang, D; Wang, Y; Wojtsekhowski, B; Yan, X; Yao, H; Ye, Y; Ye, Z; Yuan, L; Zhan, X; Zhang, Y; Zhang, Y-W; Zhao, B; Zheng, X

2014-07-11

Double-spin asymmetries and absolute cross sections were measured at large Bjorken x  (0.25≤x≤0.90), in both the deep-inelastic and resonance regions, by scattering longitudinally polarized electrons at beam energies of 4.7 and 5.9 GeV from a transversely and longitudinally polarized (3)He target. In this dedicated experiment, the spin structure function g(2)((3)He) was determined with precision at large x, and the neutron twist-3 matrix element d(2)(n) was measured at ⟨Q(2)⟩ of 3.21 and 4.32  GeV(2)/c(2), with an absolute precision of about 10(-5). Our results are found to be in agreement with lattice QCD calculations and resolve the disagreement found with previous data at ⟨Q(2)⟩=5  GeV(2)/c(2). Combining d(2)(n) and a newly extracted twist-4 matrix element f(2)(n), the average neutron color electric and magnetic forces were extracted and found to be of opposite sign and about 30  MeV/fm in magnitude.

Correct definition of color singlet P-wave non-perturbative matrix element of heavy quarkonium production

NASA Astrophysics Data System (ADS)

Nayak, Gouranga C.

2017-09-01

Recently we have proved factorization of infrared divergences in NRQCD S-wave heavy quarkonium production at high energy colliders at all orders in coupling constant. One of the problem which still exists in the higher order pQCD calculation of color singlet P-wave heavy quarkonium production/anihillation is the appearance of noncanceling infrared divergences due to real soft gluons exchange, although no such infrared divergences are present in the color singlet S-wave heavy quarkonium. In this paper we find that since the non-perturbative matrix element of the color singlet P-wave heavy quarkonium production contains derivative operators, the gauge links are necessary to make it gauge invariant and be consistent with the factorization of such non-canceling infrared divergences at all orders in coupling constant.

Making extreme computations possible with virtual machines

NASA Astrophysics Data System (ADS)

Reuter, J.; Chokoufe Nejad, B.; Ohl, T.

2016-10-01

State-of-the-art algorithms generate scattering amplitudes for high-energy physics at leading order for high-multiplicity processes as compiled code (in Fortran, C or C++). For complicated processes the size of these libraries can become tremendous (many GiB). We show that amplitudes can be translated to byte-code instructions, which even reduce the size by one order of magnitude. The byte-code is interpreted by a Virtual Machine with runtimes comparable to compiled code and a better scaling with additional legs. We study the properties of this algorithm, as an extension of the Optimizing Matrix Element Generator (O'Mega). The bytecode matrix elements are available as alternative input for the event generator WHIZARD. The bytecode interpreter can be implemented very compactly, which will help with a future implementation on massively parallel GPUs.

Analysis of coke beverages by total-reflection X-ray fluorescence

NASA Astrophysics Data System (ADS)

Fernández-Ruiz, Ramón; von Bohlen, Alex; Friedrich K, E. Josue; Redrejo, M. J.

2018-07-01

The influence of the organic content, sample preparation process and the morphology of the depositions of two types of Coke beverage, traditional and light Coke, have been investigated by mean of Total-reflection X-ray Fluorescence (TXRF) spectrometry. Strong distortions of the nominal concentration values, up to 128% for P, have been detected in the analysis of traditional Coke by different preparation methods. These differences have been correlated with the edge X-ray energies of the elements analyzed being more pronounced for the lighter elements. The influence of the organic content (mainly sugar) was evaluated comparing traditional and light Coke analytical TXRF results. Three sample preparation methods have been evaluated as follows: direct TXRF analysis of the sample only adding internal standard, TXRF analysis after open vessel acid digestion and TXRF analysis after high pressure and temperature microwave-assisted acid digestion. Strong correlations were detected between quantitative results, methods of preparation and energies of the X-ray absorption edges of quantified elements. In this way, a decay behavior for the concentration differences between preparation methods and the energies of the X-ray absorption edges of each element were observed. The observed behaviors were modeled with exponential decay functions obtaining R2 correlation coefficients from 0.989 to 0.992. The strong absorption effect observed, and even possible matrix effect, can be explained by the inherent high organic content of the evaluated samples and also by the morphology and average thickness of the TXRF depositions observed. As main conclusion of this work, the analysis of light elements in samples with high organic content by TXRF, i.e. medical, biological, food or any other organic matrixes should be taken carefully. In any case, the direct analysis is not recommended and a previous microwave-assisted acid digestion, or similar, is mandatory, for the correct elemental quantification by TXRF.

Analysis of delamination in cross-ply laminates initiating from impact induced matrix cracking

NASA Technical Reports Server (NTRS)

Salpekar, S. A.

1993-01-01

Two-dimensional finite element analyses of (02/90(8)/02) glass/epoxy and graphite/epoxy composite laminates were performed to investigate some of the characteristics of damage development due to an impact load. A cross section through the thickness of the laminate with fixed ends, and carrying a transverse load in the center, was analyzed. Inclined matrix cracks, such as those produced by a low-velocity impact, were modeled in the 90 deg ply group. The introduction of the matrix cracks caused large interlaminar tensile and shear stresses in the vicinity of both crack tips in the 0/90 and 90/0 interfaces, indicating that matrix cracking may give rise to delamination. The ratio of Mode I to total strain energy release rate, G(I)/G(total), at the beginning of delamination, calculated at the two (top and bottom) matrix crack tips was 60 and 28 percent, respectively, in the glass/epoxy laminate. The corresponding ratio was 97 and 77 percent in the graphite/epoxy laminate. Thus, a significant Mode I component of strain energy release rate may be present at the delamination initiation due to an impact load. The value of strain energy release rate at either crack tip increased due to an increase in the delamination length at the other crack tip and may give rise to an unstable delamination growth under constant load.

Dynamic Algorithms for Transition Matrix Generation

NASA Astrophysics Data System (ADS)

Yevick, David; Lee, Yong Hwan

The methods of [D. Yevick, Int. J. Mod. Phys. C, 1650041] for constructing transition matrices are applied to the two dimensional Ising model. Decreasing the system temperature during the acquisition of the matrix elements yields a reasonably precise specific heat curve for a 32x32 spin system for a limited number (50-100M) of realizations. If the system is instead evolved to first higher and then lower energies within a restricted interval that is steadily displaced in energy as the computation proceeds, a modification which permits backward displacements up to a certain lower bound for each forward step ensures acceptable accuracy. Additional constraints on the transition rule are also investigated. The Natural Sciences and Engineering Research Council of Canada (NSERC) and CIENA are acknowledged for financial support.

Newest Developments in the German Explosive Safety Quantitative Risk Analysis Software (ESQRA-GE)

DTIC Science & Technology

2010-07-01

Joule is shown if the density exceeds one over 56 m ². For both densities the fragments are considered that pass through a specified volume element. An...maximum velocity for each angle interval: ( , )fragN f m and 0 max ( ).fragv f  (5) We use a barrel filled with water to determine the...matrix. We employ characteristic quantities as mass, momentum and energy of the fragment matrix defined as , ijfm r c M m  , (6) , ij ifm r

Representation of the Coulomb Matrix Elements by Means of Appell Hypergeometric Function F 2

NASA Astrophysics Data System (ADS)

Bentalha, Zine el abidine

2018-06-01

Exact analytical representation for the Coulomb matrix elements by means of Appell's double series F 2 is derived. The finite sum obtained for the Appell function F 2 allows us to evaluate explicitly the matrix elements of the two-body Coulomb interaction in the lowest Landau level. An application requiring the matrix elements of Coulomb potential in quantum Hall effect regime is presented.

Placing three-dimensional isoparametric elements into NASTRAN. [alterations in matrix assembly to simplify generation of higher order elements

NASA Technical Reports Server (NTRS)

Newman, M. B.; Filstrup, A. W.

1973-01-01

Linear (8 node), parabolic (20 node), cubic (32 node) and mixed (some edges linear, some parabolic and some cubic) have been inserted into NASTRAN, level 15.1. First the dummy element feature was used to check out the stiffness matrix generation routines for the linear element in NASTRAN. Then, the necessary modules of NASTRAN were modified to include the new family of elements. The matrix assembly was changed so that the stiffness matrix of each isoparametric element is only generated once as the time to generate these higher order elements tends to be much longer than the other elements in NASTRAN. This paper presents some of the experiences and difficulties of inserting a new element or family of elements into NASTRAN.

THz Beam Shaper Realizing Fan-Out Patterns

NASA Astrophysics Data System (ADS)

Liebert, K.; Rachon, M.; Siemion, A.; Suszek, J.; But, D.; Knap, W.; Sypek, M.

2017-08-01

Fan-out elements create an array of beams radiating at particular angles along the propagation axis. Therefore, they are able to form a matrix of equidistant spots in the far-field diffraction region. In this work, we report on the first fan-out structures designed for the THz range of radiation. Two types of light-dividing fan-out structures are demonstrated: (i) the 3×1 matrix fan-out structure based on the optimized binary phase grating and (ii) the 3×3 fan-out structure designed on the basis of the well-known Dammann grating. The structures were generated numerically and manufactured using the 3D printing technique with polyamide PA12. To obtain equal powers and symmetry of diffracted beams, the computer-aided optimization algorithm was used. Diffractive optical elements designed for 140 and 282 GHz were evaluated experimentally at both these frequencies using illumination with the wavefront coming from the point-like source. Described fan-out elements formed uniform intensity and equidistant energy distribution in agreement with the numerical simulations.

Matrix multiplication operations with data pre-conditioning in a high performance computing architecture

DOEpatents

Eichenberger, Alexandre E; Gschwind, Michael K; Gunnels, John A

2013-11-05

Mechanisms for performing matrix multiplication operations with data pre-conditioning in a high performance computing architecture are provided. A vector load operation is performed to load a first vector operand of the matrix multiplication operation to a first target vector register. A load and splat operation is performed to load an element of a second vector operand and replicating the element to each of a plurality of elements of a second target vector register. A multiply add operation is performed on elements of the first target vector register and elements of the second target vector register to generate a partial product of the matrix multiplication operation. The partial product of the matrix multiplication operation is accumulated with other partial products of the matrix multiplication operation.

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

PubMed

Pernal, Katarzyna

2012-05-14

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

Mesoscale simulation of concrete spall failure

NASA Astrophysics Data System (ADS)

Knell, S.; Sauer, M.; Millon, O.; Riedel, W.

2012-05-01

Although intensively studied, it is still being debated which physical mechanisms are responsible for the increase of dynamic strength and fracture energy of concrete observed at high loading rates, and to what extent structural inertia forces on different scales contribute to the observation. We present a new approach for the three dimensional mesoscale modelling of dynamic damage and cracking in concrete. Concrete is approximated as a composite of spherical elastic aggregates of mm to cm size embedded in an elastic cement stone matrix. Cracking within the matrix and at aggregate interfaces in the μm range are modelled with adaptively inserted—initially rigid—cohesive interface elements. The model is applied to analyse the dynamic tensile failure observed in Hopkinson-Bar spallation experiments with strain rates up to 100/s. The influence of the key mesoscale failure parameters of strength, fracture energy and relative weakening of the ITZ on macromechanic strength, momentum and energy conservation is numerically investigated.

Nano-sized precipitate stability and its controlling factors in a NiAl-strengthened ferritic alloy

PubMed Central

Sun, Zhiqian; Song, Gian; Ilavsky, Jan; Ghosh, Gautam; Liaw, Peter K.

2015-01-01

Coherent B2-ordered NiAl-type precipitates have been used to reinforce solid-solution body-centered-cubic iron for high-temperature application in fossil-energy power plants. In this study, we investigate the stability of nano-sized precipitates in a NiAl-strengthened ferritic alloy at 700–950 °C using ultra-small angle X-ray scattering and electron microscopies. Here we show that the coarsening kinetics of NiAl-type precipitates is in excellent agreement with the ripening model in multicomponent alloys. We further demonstrate that the interfacial energy between the matrix and NiAl-type precipitates is strongly dependent on differences in the matrix/precipitate compositions. Our results profile the ripening process in multicomponent alloys by illustrating controlling factors of interfacial energy, diffusivities, and element partitioning. The study provides guidelines to design and develop high-temperature alloys with stable microstructures for long-term service. PMID:26537060

Improved description of the 2 ν β β -decay and a possibility to determine the effective axial-vector coupling constant

NASA Astrophysics Data System (ADS)

Šimkovic, Fedor; Dvornický, Rastislav; Štefánik, Dušan; Faessler, Amand

2018-03-01

An improved formalism of the two-neutrino double-beta decay (2 ν β β -decay) rate is presented, which takes into account the dependence of energy denominators on lepton energies via the Taylor expansion. Until now, only the leading term in this expansion has been considered. The revised 2 ν β β -decay rate and differential characteristics depend on additional phase-space factors weighted by the ratios of 2 ν β β -decay nuclear matrix elements with different powers of the energy denominator. For nuclei of experimental interest all phase-space factors are calculated by using exact Dirac wave functions with finite nuclear size and electron screening. For isotopes with measured 2 ν β β -decay half-life the involved nuclear matrix elements are determined within the quasiparticle random-phase approximation with partial isospin restoration. The importance of correction terms to the 2 ν β β -decay rate due to Taylor expansion is established and the modification of shape of single and summed electron energy distributions is discussed. It is found that the improved calculation of the 2 ν β β -decay predicts slightly suppressed 2 ν β β -decay background to the neutrinoless double-beta decay signal. Furthermore, an approach to determine the value of effective weak-coupling constant in nuclear medium gAeff is proposed.

Gain in computational efficiency by vectorization in the dynamic simulation of multi-body systems

NASA Technical Reports Server (NTRS)

Amirouche, F. M. L.; Shareef, N. H.

1991-01-01

An improved technique for the identification and extraction of the exact quantities associated with the degrees of freedom at the element as well as the flexible body level is presented. It is implemented in the dynamic equations of motions based on the recursive formulation of Kane et al. (1987) and presented in a matrix form, integrating the concepts of strain energy, the finite-element approach, modal analysis, and reduction of equations. This technique eliminates the CPU intensive matrix multiplication operations in the code's hot spots for the dynamic simulation of the interconnected rigid and flexible bodies. A study of a simple robot with flexible links is presented by comparing the execution times on a scalar machine and a vector-processor with and without vector options. Performance figures demonstrating the substantial gains achieved by the technique are plotted.

A comparative study of methods for describing non-adiabatic coupling: diabatic representation of the 1Sigma +/1Pi HOH and HHO conical intersections

NASA Astrophysics Data System (ADS)

Dobbyn, Abigail J.; Knowles, Peter J.

A number of established techniques for obtaining diabatic electronic states in small molecules are critically compared for the example of the X and B states in the water molecule, which contribute to the two lowest-energy conical intersections. Integration of the coupling matrix elements and analysis of configuration mixing coefficients both produce reliable diabatic states globally. Methods relying on diagonalization of dipole moment and angular momentum operators are shown to fail in large regions of coordinate space. However, the use of transition angular momentum matrix elements involving the A state, which is degenerate with B at the conical intersections, is successful globally, provided that an appropriate choice of coordinates is made. Long range damping of non-adiabatic coupling to give correct asymptotic mixing angles also is investigated.

Accurate Exchange-Correlation Energies for the Warm Dense Electron Gas.

PubMed

Malone, Fionn D; Blunt, N S; Brown, Ethan W; Lee, D K K; Spencer, J S; Foulkes, W M C; Shepherd, James J

2016-09-09

The density matrix quantum Monte Carlo (DMQMC) method is used to sample exact-on-average N-body density matrices for uniform electron gas systems of up to 10^{124} matrix elements via a stochastic solution of the Bloch equation. The results of these calculations resolve a current debate over the accuracy of the data used to parametrize finite-temperature density functionals. Exchange-correlation energies calculated using the real-space restricted path-integral formalism and the k-space configuration path-integral formalism disagree by up to ∼10% at certain reduced temperatures T/T_{F}≤0.5 and densities r_{s}≤1. Our calculations confirm the accuracy of the configuration path-integral Monte Carlo results available at high density and bridge the gap to lower densities, providing trustworthy data in the regime typical of planetary interiors and solids subject to laser irradiation. We demonstrate that the DMQMC method can calculate free energies directly and present exact free energies for T/T_{F}≥1 and r_{s}≤2.

Improved lattice computation of proton decay matrix elements

NASA Astrophysics Data System (ADS)

Aoki, Yasumichi; Izubuchi, Taku; Shintani, Eigo; Soni, Amarjit

2017-07-01

We present an improved result for the lattice computation of the proton decay matrix elements in Nf=2 +1 QCD. In this study, by adopting the error reduction technique of all-mode-averaging, a significant improvement of the statistical accuracy is achieved for the relevant form factor of proton (and also neutron) decay on the gauge ensemble of Nf=2 +1 domain-wall fermions with mπ=0.34 - 0.69 GeV on a 2.7 fm3 lattice, as used in our previous work [1]. We improve the total accuracy of matrix elements to 10-15% from 30-40% for p →π e+ or from 20-40% for p →K ν ¯. The accuracy of the low-energy constants α and β in the leading-order baryon chiral perturbation theory (BChPT) of proton decay are also improved. The relevant form factors of p →π estimated through the "direct" lattice calculation from the three-point function appear to be 1.4 times smaller than those from the "indirect" method using BChPT with α and β . It turns out that the utilization of our result will provide a factor 2-3 larger proton partial lifetime than that obtained using BChPT. We also discuss the use of these parameters in a dark matter model.

Numerical Solution of Light Scattered from and Transmitted through a Rough Dielectric Surface with Applications to Periodic Roughness and Isolated Structures

NASA Technical Reports Server (NTRS)

Sun, Wenbo; Videnn, Gorden; Lin, Bing; Hu, Yongxiang

2007-01-01

Light scattering and transmission by rough surfaces are of considerable interest in a variety of applications including remote sensing and characterization of surfaces. In this work, the finite-difference time domain technique is applied to calculate the scattered and transmitted electromagnetic fields of an infinite periodic rough surface. The elements of Mueller matrix for scattered light are calculated by an integral of the near fields over a significant number of periods of the surface. The normalized Mueller matrix elements of the scattered light and the spatial distribution of the transmitted flux for a monolayer of micron-sized dielectric spheres on a silicon substrate are presented. The numerical results show that the nonzero Mueller matrix elements of the system of the monolayer of dielectric spheres on a silicon substrate have specific maxima at some scattering angles. These maxima may be used in characterization of the feature of the system. For light transmitted through the monolayer of spheres, our results show that the transmitted energy focuses around the ray passing through centers of the spheres. At other locations, the transmitted flux is very small. The technique also may be used to calculate the perturbance of the electromagnetic field due to the presence of an isolated structure on the substrate.

Topological phases of topological-insulator thin films

NASA Astrophysics Data System (ADS)

Asmar, Mahmoud M.; Sheehy, Daniel E.; Vekhter, Ilya

2018-02-01

We study the properties of a thin film of topological insulator material. We treat the coupling between helical states at opposite surfaces of the film in the properly-adapted tunneling approximation, and show that the tunneling matrix element oscillates as a function of both the film thickness and the momentum in the plane of the film for Bi2Se3 and Bi2Te3 . As a result, while the magnitude of the matrix element at the center of the surface Brillouin zone gives the gap in the energy spectrum, the sign of the matrix element uniquely determines the topological properties of the film, as demonstrated by explicitly computing the pseudospin textures and the Chern number. We find a sequence of transitions between topological and nontopological phases, separated by semimetallic states, as the film thickness varies. In the topological phase, the edge states of the film always exist but only carry a spin current if the edge potentials break particle-hole symmetry. The edge states decay very slowly away from the boundary in Bi2Se3 , making Bi2Te3 , where this scale is shorter, a more promising candidate for the observation of these states. Our results hold for free-standing films as well as heterostructures with large-gap insulators.

Addressable test matrix for measuring analog transfer characteristics of test elements used for integrated process control and device evaluation

NASA Technical Reports Server (NTRS)

Buehler, Martin G. (Inventor)

1988-01-01

A set of addressable test structures, each of which uses addressing schemes to access individual elements of the structure in a matrix, is used to test the quality of a wafer before integrated circuits produced thereon are diced, packaged and subjected to final testing. The electrical characteristic of each element is checked and compared to the electrical characteristic of all other like elements in the matrix. The effectiveness of the addressable test matrix is in readily analyzing the electrical characteristics of the test elements and in providing diagnostic information.

Relative Fluxes of Primary Particles in B-C-N-O Group from the ATIC Experiment (Science Flight)

NASA Technical Reports Server (NTRS)

Panov, A. D.; Adams, J. H., Jr.; Ahn, H. S.; Bashindzhagyan, G. L.; Chang, J.; Christl, M.; Fazely, A. R.; Ganel, O.; Gunashingha, R. M.; Guzik, T. G.;

Towards a global model of spin-orbit coupling in the halocarbenes

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

Nyambo, Silver; Karshenas, Cyrus; Reid, Scott A., E-mail: scott.reid@marquette.edu, E-mail: dawesr@mst.edu

We report a global analysis of spin-orbit coupling in the mono-halocarbenes, CH(D)X, where X = Cl, Br, and I. These are model systems for examining carbene singlet-triplet energy gaps and spin-orbit coupling. Over the past decade, rich data sets collected using single vibronic level emission spectroscopy and stimulated emission pumping spectroscopy have yielded much information on the ground vibrational level structure and clearly demonstrated the presence of perturbations involving the low-lying triplet state. To model these interactions globally, we compare two approaches. First, we employ a diabatic treatment of the spin-orbit coupling, where the coupling matrix elements are written inmore » terms of a purely electronic spin-orbit matrix element which is independent of nuclear coordinates, and an integral representing the overlap of the singlet and triplet vibrational wavefunctions. In this way, the structures, harmonic frequencies, and normal mode displacements from ab initio calculations were used to calculate the vibrational overlaps of the singlet and triplet state levels, including the full effects of Duschinsky mixing. These calculations have allowed many new assignments to be made, particularly for CHI, and provided spin-orbit coupling parameters and values for the singlet-triplet gaps. In a second approach, we have computed and fit full geometry dependent spin-orbit coupling surfaces and used them to compute matrix elements without the product form approximation. Those matrix elements were used in similar fits varying the anharmonic constants and singlet-triplet gap to reproduce the experimental levels. The derived spin-orbit parameters for carbenes CHX (X = Cl, Br, and I) show an excellent linear correlation with the atomic spin-orbit constant of the corresponding halogen, indicating that the spin-orbit coupling in the carbenes is consistently around 14% of the atomic value.« less

Subleading soft graviton theorem for loop amplitudes

NASA Astrophysics Data System (ADS)

Sen, Ashoke

2017-11-01

Superstring field theory gives expressions for heterotic and type II string loop amplitudes that are free from ultraviolet and infrared divergences when the number of non-compact space-time dimensions is five or more. We prove the subleading soft graviton theorem in these theories to all orders in perturbation theory for S-matrix elements of arbitrary number of finite energy external states but only one external soft graviton. We also prove the leading soft graviton theorem for arbitrary number of finite energy external states and arbitrary number of soft gravitons. Since our analysis is based on general properties of one particle irreducible effective action, the results are valid in any theory of quantum gravity that gives finite result for the S-matrix order by order in perturbation theory without violating general coordinate invariance.

Chemical signature of a migrating grain boundaries in polycrystalline olivine

NASA Astrophysics Data System (ADS)

Boneh, Y.; Marquardt, K.; Skemer, P. A.

2017-12-01

Olivine is the most abundant phase and influences strongly the physical and chemical properties of the upper mantle. The structure and chemistry of olivine grain-boundaries is important to understand, as these interfaces provide a reservoir for incompatible elements and partial melt, and serve as a fast pathway for chemical diffusion. This project investigates the chemical characteristics of grain boundaries in an olivine-rich aggregate. The sample is composed of Fo50 olivine crystals with minor amounts of enstatite. It was previously deformed (Hansen et al., 2016) and then annealed (Boneh et al., 2017) to investigate the microstructural changes during recrystallization. This transient microstructure has a bimodal grain size distribution and includes grains that experienced abnormal grain-growth, (porphyroblasts) and highly strained grains with no significant recrystallization or growth (matrix). Using high-resolution transmission electron microscopy (HR-TEM) with energy dispersive X-ray (EDX) at the Bayerisches Geoinstitut (BGI), we characterized boundaries between pairs of porphyroblasts, pairs of matrix grains, and mixed boundaries between porphyroblast and matrix grains. It was found that the boundary between porphyroblasts is enriched in Al and Ca and depleted in Mg, in comparison to grain interiors. However, matrix-matrix boundaries show less chemical segregation of these elements. The relatively high level of chemical segregation to porphyroblast grain boundaries offers different possible interpretations: 1) During grain boundary migration incompatible elements are swept up by the migrating grain boundary. 2) Large angle grain boundaries provide a large density of energetically favorable storage sites for incompatible elements. 3) Diffusion along low angle grain boundaries is too slow to allow for fast chemical equilibration between the different grain boundaries. 4) Dislocations cores serve as an important transport media for impurities (i.e., Cottrell atmosphere). We will further discuss these different interpretations, their feasibility, and implications for the geochemistry of the mantle.

The use of an analytic Hamiltonian matrix for solving the hydrogenic atom

NASA Astrophysics Data System (ADS)

Bhatti, Mohammad

2001-10-01

The non-relativistic Hamiltonian corresponding to the Shrodinger equation is converted into analytic Hamiltonian matrix using the kth order B-splines functions. The Galerkin method is applied to the solution of the Shrodinger equation for bound states of hydrogen-like systems. The program Mathematica is used to create analytic matrix elements and exact integration is performed over the knot-sequence of B-splines and the resulting generalized eigenvalue problem is solved on a specified numerical grid. The complete basis set and the energy spectrum is obtained for the coulomb potential for hydrogenic systems with Z less than 100 with B-splines of order eight. Another application is given to test the Thomas-Reiche-Kuhn sum rule for the hydrogenic systems.

Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions

NASA Astrophysics Data System (ADS)

Kraberger, Gernot J.; Triebl, Robert; Zingl, Manuel; Aichhorn, Markus

2017-10-01

We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended for spectral functions that are possibly negative in some frequency ranges. In that way, all matrix elements of the Green's function matrix can be analytically continued; we introduce a computationally cheap element-wise method for this purpose. However, this method cannot ensure important constraints on the mathematical properties of the resulting spectral functions, namely positive semidefiniteness and Hermiticity. To improve on this, we present a full matrix formalism, where all matrix elements are treated simultaneously. We show the capabilities of these methods using insulating and metallic dynamical mean-field theory (DMFT) Green's functions as test cases. Finally, we apply the methods to realistic material calculations for LaTiO3, where off-diagonal matrix elements in the Green's function appear due to the distorted crystal structure.

Fluid-structure finite-element vibrational analysis

NASA Technical Reports Server (NTRS)

Feng, G. C.; Kiefling, L.

1974-01-01

A fluid finite element has been developed for a quasi-compressible fluid. Both kinetic and potential energy are expressed as functions of nodal displacements. Thus, the formulation is similar to that used for structural elements, with the only differences being that the fluid can possess gravitational potential, and the constitutive equations for fluid contain no shear coefficients. Using this approach, structural and fluid elements can be used interchangeably in existing efficient sparse-matrix structural computer programs such as SPAR. The theoretical development of the element formulations and the relationships of the local and global coordinates are shown. Solutions of fluid slosh, liquid compressibility, and coupled fluid-shell oscillation problems which were completed using a temporary digital computer program are shown. The frequency correlation of the solutions with classical theory is excellent.

Triaxiality in the odd-A nuclei 109-117I studied through a microscopic rotationparticle coupling

NASA Astrophysics Data System (ADS)

Modi, Swati

2018-05-01

A systematic study of ground state spectrum with the triaxial deformation γ for odd-A Iodine isotopes 109-117I is carried out with the nonadiabatic quasiparticle approach. The rotation-particle coupling is accomplished microscopically such that the matrix elements of a particle-plus-rotor system are written in terms of the rotor energies. The 5/2+ state is confirmed as ground state for odd-A 111-117I and also coming out as lowest in energy for 109I.

Locating a silane coupling agent in silica-filled rubber composites by EFTEM.

PubMed

Dohi, Hidehiko; Horiuchi, Shin

2007-11-20

A silane coupling agent (SA) was added to silica/rubber composites at different mixing temperatures and the formation of a coupling layer at the silica/rubber interface was investigated by energy-filtering transmission electron microscopy. Bis(triethoxysilypropyl)tetrasulfane (TESPT), which was used as the SA, reacted with the silanol groups on the silica surface and with styrene-butadiene rubber to form an interfacial coupling layer. The silicon and sulfur elemental distributions were analyzed by electron energy loss spectroscopy (EELS) and elemental mapping. The amount of TESPT trapped in the rubber matrix could be qualitatively estimated by EELS, and the in situ formed coupling layer could be characterized by elemental mapping. The result indicated that the formation of the coupling layer was affected by the mixing temperature. The technique described here will contribute to the study of interface-property relationships and the evaluation of the role of SAs in polymeric composites.

Investigation of the effect of alumina and compaction pressure on physical, electrical and tribological properties of Al-Fe-Cr-Al2O3 powder composites

NASA Astrophysics Data System (ADS)

Mohsin, Mohammad; Mohd, Aas; Suhaib, M.; Arif, Sajjad; Arif Siddiqui, M.

2017-10-01

In this experimental work, aluminium Al-20Fe-5Cr (in wt.%) matrix reinforced with varying wt.% Al2O3 (0, 10, 20 and 30) and compaction pressure (470, 550 and 600 MPa) were prepared by powder metallurgy technique. The characterization of composites were performed by scanning electron microscopy (SEM), x-ray diffraction (XRD), energy dispersive spectrum (EDS) and elemental mapping. Uniform distribution of Al2O3 in aluminium matrix were observed by elemental mapping. The composites showed an increase in density and hardness by increasing both alumina and compaction pressure. While, electrical conductivity decreased by the addition of alumina. The tribological study of the composites were performed on pin-on-disc apparatus at sliding conditions (applied load 40 N, sliding speed 1.5 m s-1, sliding distance 300 m). The tribological properties of the composites were improved by increasing alumina and compaction pressure. SEM analysis were also carried out to understand wear mechanism of the worn surfaces of various fabricated composites and aluminium matrix.

Simulating Initial and Progressive Failure of Open-Hole Composite Laminates under Tension

NASA Astrophysics Data System (ADS)

Guo, Zhangxin; Zhu, Hao; Li, Yongcun; Han, Xiaoping; Wang, Zhihua

2016-12-01

A finite element (FE) model is developed for the progressive failure analysis of fiber reinforced polymer laminates. The failure criterion for fiber and matrix failure is implemented in the FE code Abaqus using user-defined material subroutine UMAT. The gradual degradation of the material properties is controlled by the individual fracture energies of fiber and matrix. The failure and damage in composite laminates containing a central hole subjected to uniaxial tension are simulated. The numerical results show that the damage model can be used to accurately predicte the progressive failure behaviour both qualitatively and quantitatively.

Cross talk and diffraction efficiency in angular multiplexed memories using improved polypeptide

NASA Astrophysics Data System (ADS)

Ramenah, Harry K.; Bertrand, Paul; Soubari, E. H.; Meyrueis, Patrick

1996-12-01

We studied energy coupling between gratings and angularly multiplexed 20 gratings with a uniform diffraction efficiency within 25 micrometer layer thickness of dichromated gelatin. The dependence of diffraction efficiency on beam ratio is given. We recorded a matrix form memory of nxmxp elements, where n and m are the rows and columns and p the number of multiplexes. For indication only, n equals m equals 10, p equals 20, the surface area of the matrix is 1 cm2. Color diffractive images and digital data are illustrated as well as video, cartography and medical applications.

Fem Formulation of Heat Transfer in Cylindrical Porous Medium

NASA Astrophysics Data System (ADS)

Azeem; Khaleed, H. M. T.; Soudagar, Manzoor Elahi M.

2017-08-01

Heat transfer in porous medium can be derived from the fundamental laws of flow in porous region ass given by Henry Darcy. The fluid flow and energy transport inside the porous medium can be described with the help of momentum and energy equations. The heat transfer in cylindrical porous medium differs from its counterpart in radial and axial coordinates. The present work is focused to discuss the finite element formulation of heat transfer in cylindrical porous medium. The basic partial differential equations are derived using Darcy law which is the converted into a set of algebraic equations with the help of finite element method. The resulting equations are solved by matrix method for two solution variables involved in the coupled equations.

Theoretical Studies of Spectroscopic Line Mixing in Remote Sensing Applications

NASA Technical Reports Server (NTRS)

Ma, Q.; Boulet, C.; Tipping, R. H.

2015-01-01

The phenomenon of collisional transfer of intensity due to line mixing has an increasing importance for atmospheric monitoring. From a theoretical point of view, all relevant information about the collisional processes is contained in the relaxation matrix where the diagonal elements give half-widths and shifts, and the off-diagonal elements correspond to line interferences. For simple systems such as those consisting of diatom-atom or diatom-diatom, accurate fully quantum calculations based on interaction potentials are feasible. However, fully quantum calculations become unrealistic for more complex systems. On the other hand, the semi-classical Robert-Bonamy (RB) formalism, which has been widely used to calculate half-widths and shifts for decades, fails in calculating the off-diagonal matrix elements. As a result, in order to simulate atmospheric spectra where the effects from line mixing are important, semi-empirical fitting or scaling laws such as the ECS (Energy-Corrected Sudden) and IOS (Infinite-Order Sudden) models are commonly used. Recently, while scrutinizing the development of the RB formalism, we have found that these authors applied the isolated line approximation in their evaluating matrix elements of the Liouville scattering operator given in exponential form. Since the criterion of this assumption is so stringent, it is not valid for many systems of interest in atmospheric applications. Furthermore, it is this assumption that blocks the possibility to calculate the whole relaxation matrix at all. By eliminating this unjustified application, and accurately evaluating matrix elements of the exponential operators, we have developed a more capable formalism. With this new formalism, we are now able not only to reduce uncertainties for calculated half-widths and shifts, but also to remove a once insurmountable obstacle to calculate the whole relaxation matrix. This implies that we can address the line mixing with the semi-classical theory based on interaction potentials between molecular absorber and molecular perturber. We have applied this formalism to address the line mixing for Raman and infrared spectra of molecules such as N2, C2H2, CO2, NH3, and H2O. By carrying out rigorous calculations, our calculated relaxation matrices are in good agreement with both experimental data and results derived from the ECS model.

Data on a Laves phase intermetallic matrix composite in situ toughened by ductile precipitates.

PubMed

Knowles, Alexander J; Bhowmik, Ayan; Purkayastha, Surajit; Jones, Nicholas G; Giuliani, Finn; Clegg, William J; Dye, David; Stone, Howard J

2017-10-01

The data presented in this article are related to the research article entitled "Laves phase intermetallic matrix composite in situ toughened by ductile precipitates" (Knowles et al.) [1]. The composite comprised a Fe 2 (Mo, Ti) matrix with bcc (Mo, Ti) precipitated laths produced in situ by an aging heat treatment, which was shown to confer a toughening effect (Knowles et al.) [1]. Here, details are given on a focused ion beam (FIB) slice and view experiment performed on the composite so as to determine that the 3D morphology of the bcc (Mo, Ti) precipitates were laths rather than needles. Scanning transmission electron microscopy (S(TEM)) micrographs of the microstructure as well as energy dispersive X-ray spectroscopy (EDX) maps are presented that identify the elemental partitioning between the C14 Laves matrix and the bcc laths, with Mo rejected from the matrix into laths. A TEM selected area diffraction pattern (SADP) and key is provided that was used to validate the orientation relation between the matrix and laths identified in (Knowles et al.) [1] along with details of the transformation matrix determined.

A microstructural lattice model for strain oriented problems: A combined Monte Carlo finite element technique

NASA Technical Reports Server (NTRS)

Gayda, J.; Srolovitz, D. J.

1987-01-01

A specialized, microstructural lattice model, termed MCFET for combined Monte Carlo Finite Element Technique, was developed which simulates microstructural evolution in material systems where modulated phases occur and the directionality of the modulation is influenced by internal and external stresses. In this approach, the microstructure is discretized onto a fine lattice. Each element in the lattice is labelled in accordance with its microstructural identity. Diffusion of material at elevated temperatures is simulated by allowing exchanges of neighboring elements if the exchange lowers the total energy of the system. A Monte Carlo approach is used to select the exchange site while the change in energy associated with stress fields is computed using a finite element technique. The MCFET analysis was validated by comparing this approach with a closed form, analytical method for stress assisted, shape changes of a single particle in an infinite matrix. Sample MCFET analytical for multiparticle problems were also run and in general the resulting microstructural changes associated with the application of an external stress are similar to that observed in Ni-Al-Cr alloys at elevated temperature.

Combined fast multipole-QR compression technique for solving electrically small to large structures for broadband applications

NASA Technical Reports Server (NTRS)

Jandhyala, Vikram (Inventor); Chowdhury, Indranil (Inventor)

2011-01-01

An approach that efficiently solves for a desired parameter of a system or device that can include both electrically large fast multipole method (FMM) elements, and electrically small QR elements. The system or device is setup as an oct-tree structure that can include regions of both the FMM type and the QR type. An iterative solver is then used to determine a first matrix vector product for any electrically large elements, and a second matrix vector product for any electrically small elements that are included in the structure. These matrix vector products for the electrically large elements and the electrically small elements are combined, and a net delta for a combination of the matrix vector products is determined. The iteration continues until a net delta is obtained that is within predefined limits. The matrix vector products that were last obtained are used to solve for the desired parameter.

Precision measurement of transition matrix elements via light shift cancellation.

PubMed

Herold, C D; Vaidya, V D; Li, X; Rolston, S L; Porto, J V; Safronova, M S

2012-12-14

We present a method for accurate determination of atomic transition matrix elements at the 10(-3) level. Measurements of the ac Stark (light) shift around "magic-zero" wavelengths, where the light shift vanishes, provide precise constraints on the matrix elements. We make the first measurement of the 5s - 6p matrix elements in rubidium by measuring the light shift around the 421 and 423 nm zeros through diffraction of a condensate off a sequence of standing wave pulses. In conjunction with existing theoretical and experimental data, we find 0.3235(9)ea(0) and 0.5230(8)ea(0) for the 5s - 6p(1/2) and 5s - 6p(3/2) elements, respectively, an order of magnitude more accurate than the best theoretical values. This technique can provide needed, accurate matrix elements for many atoms, including those used in atomic clocks, tests of fundamental symmetries, and quantum information.

Elemental Characterization of Hardpan Topping Selected Sections of Ajali Sand, Anambra Basin. Nigeria.

NASA Astrophysics Data System (ADS)

Ajidahun, E. J.

2015-12-01

The hardpan cap of selected sections of loose Ajali sand in Anambra Basin of Nigeria was investigated for elemental compositions using Energy Dispersive X-Ray Fluorescence mapping (M4-Tornado ED-XRF); while bulk mineralogy was determined by X-Ray Diffraction and Scanning Electron Microscopy (SEM) at the Federal Institute for Geosciences and Natural Resources (BGR), Hannover, Germany. Elemental maps of Fe, Si, Ti, Al, Cr etc. were used to highlight texture and mineral distribution. The Ajali sands are locally topped by iron rich hardpans. These hardpans consist of rock fragments up to several cm in length in a primary matrix and locally large pores. Besides laminated sandstone fragments, highly altered porphyritic volcanic rocks can be observed. The latter in the SEM appear highly spongeous, and show relics of phenochryts such as biotite, hornblende and pyroxene, corroded magmatic quartz, magnetite, Ilmenite, zircon or voids of former crystals in an almost entirely altered matrix Large pores show several generations of periodic infill of quartz sand / soil mixtures alternating with multiple layers of Fe rich precipitates, locally enriched in Al, P, S, Mn or Sr agglutinating the fines. Volcanic fragments show rims of elevated Cr content, and Cr and V-rich precipitates may separate generations of infill. A number of large open pore channels rimmed by Fe-rich matrix might act as water channels. They are coated by Al, K rich precipitates. Ajali sands can hardly be considered as the source for the agglutination of the hardpan cap. The source of Fe and other elements such as Al, K, Cr, V has to be attributed to the volcanic fragments, mainly to the matrix, but to the altered phenocrysts, too. Toxic elements such as Cr being mobile in the system are in part stabilized as precipitates. EDXRF-micro mapping provides excellent textural, chemical and even mineralogical information to get better insight into the sedimentation and agglutination history of the hardpan cap. Key words: Hardpan Cap, Ajali Sands, Anambra Basin, Agglutination, Volcanic Fragment.

Coulomb matrix elements in multi-orbital Hubbard models.

PubMed

Bünemann, Jörg; Gebhard, Florian

2017-04-26

Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

A finite element formulation preserving symmetric and banded diffusion stiffness matrix characteristics for fractional differential equations

NASA Astrophysics Data System (ADS)

Lin, Zeng; Wang, Dongdong

2017-10-01

Due to the nonlocal property of the fractional derivative, the finite element analysis of fractional diffusion equation often leads to a dense and non-symmetric stiffness matrix, in contrast to the conventional finite element formulation with a particularly desirable symmetric and banded stiffness matrix structure for the typical diffusion equation. This work first proposes a finite element formulation that preserves the symmetry and banded stiffness matrix characteristics for the fractional diffusion equation. The key point of the proposed formulation is the symmetric weak form construction through introducing a fractional weight function. It turns out that the stiffness part of the present formulation is identical to its counterpart of the finite element method for the conventional diffusion equation and thus the stiffness matrix formulation becomes trivial. Meanwhile, the fractional derivative effect in the discrete formulation is completely transferred to the force vector, which is obviously much easier and efficient to compute than the dense fractional derivative stiffness matrix. Subsequently, it is further shown that for the general fractional advection-diffusion-reaction equation, the symmetric and banded structure can also be maintained for the diffusion stiffness matrix, although the total stiffness matrix is not symmetric in this case. More importantly, it is demonstrated that under certain conditions this symmetric diffusion stiffness matrix formulation is capable of producing very favorable numerical solutions in comparison with the conventional non-symmetric diffusion stiffness matrix finite element formulation. The effectiveness of the proposed methodology is illustrated through a series of numerical examples.

2-D Ultrasound Sparse Arrays Multidepth Radiation Optimization Using Simulated Annealing and Spiral-Array Inspired Energy Functions.

PubMed

Roux, Emmanuel; Ramalli, Alessandro; Tortoli, Piero; Cachard, Christian; Robini, Marc C; Liebgott, Herve

2016-12-01

Full matrix arrays are excellent tools for 3-D ultrasound imaging, but the required number of active elements is too high to be individually controlled by an equal number of scanner channels. The number of active elements is significantly reduced by the sparse array techniques, but the position of the remaining elements must be carefully optimized. This issue is faced here by introducing novel energy functions in the simulated annealing (SA) algorithm. At each iteration step of the optimization process, one element is freely translated and the associated radiated pattern is simulated. To control the pressure field behavior at multiple depths, three energy functions inspired by the pressure field radiated by a Blackman-tapered spiral array are introduced. Such energy functions aim at limiting the main lobe width while lowering the side lobe and grating lobe levels at multiple depths. Numerical optimization results illustrate the influence of the number of iterations, pressure measurement points, and depths, as well as the influence of the energy function definition on the optimized layout. It is also shown that performance close to or even better than the one provided by a spiral array, here assumed as reference, may be obtained. The finite-time convergence properties of SA allow the duration of the optimization process to be set in advance.

Quantitative Electron-Excited X-Ray Microanalysis of Borides, Carbides, Nitrides, Oxides, and Fluorides with Scanning Electron Microscopy/Silicon Drift Detector Energy-Dispersive Spectrometry (SEM/SDD-EDS) and NIST DTSA-II.

PubMed

Newbury, Dale E; Ritchie, Nicholas W M

2015-10-01

A scanning electron microscope with a silicon drift detector energy-dispersive X-ray spectrometer (SEM/SDD-EDS) was used to analyze materials containing the low atomic number elements B, C, N, O, and F achieving a high degree of accuracy. Nearly all results fell well within an uncertainty envelope of ±5% relative (where relative uncertainty (%)=[(measured-ideal)/ideal]×100%). Quantification was performed with the standards-based "k-ratio" method with matrix corrections calculated based on the Pouchou and Pichoir expression for the ionization depth distribution function, as implemented in the NIST DTSA-II EDS software platform. The analytical strategy that was followed involved collection of high count (>2.5 million counts from 100 eV to the incident beam energy) spectra measured with a conservative input count rate that restricted the deadtime to ~10% to minimize coincidence effects. Standards employed included pure elements and simple compounds. A 10 keV beam was employed to excite the K- and L-shell X-rays of intermediate and high atomic number elements with excitation energies above 3 keV, e.g., the Fe K-family, while a 5 keV beam was used for analyses of elements with excitation energies below 3 keV, e.g., the Mo L-family.

Relative Abundances of Cosmic Ray Nuclei B-C-N-O in the Energy Region from 10 GeV/n to 300 GeV/n. Results from the Science Flight of the ATIC

NASA Technical Reports Server (NTRS)

Panov, A. D.; Sokolskaya, N. V.; Adams, J.H.; Ahn, H.S.; Bashindzhagyan, G. L.; Batkov, K.E.; Chang, J.; Christl, M.; Fazely, A. R.; Ganal, O.;

Mesh refinement in finite element analysis by minimization of the stiffness matrix trace

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.

1989-01-01

Most finite element packages provide means to generate meshes automatically. However, the user is usually confronted with the problem of not knowing whether the mesh generated is appropriate for the problem at hand. Since the accuracy of the finite element results is mesh dependent, mesh selection forms a very important step in the analysis. Indeed, in accurate analyses, meshes need to be refined or rezoned until the solution converges to a value so that the error is below a predetermined tolerance. A-posteriori methods use error indicators, developed by using the theory of interpolation and approximation theory, for mesh refinements. Some use other criterions, such as strain energy density variation and stress contours for example, to obtain near optimal meshes. Although these methods are adaptive, they are expensive. Alternatively, a priori methods, until now available, use geometrical parameters, for example, element aspect ratio. Therefore, they are not adaptive by nature. An adaptive a-priori method is developed. The criterion is that the minimization of the trace of the stiffness matrix with respect to the nodal coordinates, leads to a minimization of the potential energy, and as a consequence provide a good starting mesh. In a few examples the method is shown to provide the optimal mesh. The method is also shown to be relatively simple and amenable to development of computer algorithms. When the procedure is used in conjunction with a-posteriori methods of grid refinement, it is shown that fewer refinement iterations and fewer degrees of freedom are required for convergence as opposed to when the procedure is not used. The mesh obtained is shown to have uniform distribution of stiffness among the nodes and elements which, as a consequence, leads to uniform error distribution. Thus the mesh obtained meets the optimality criterion of uniform error distribution.

Evaluation of methods for trace-element determination with emphasis on their usability in the clinical routine laboratory.

PubMed

Bolann, B J; Rahil-Khazen, R; Henriksen, H; Isrenn, R; Ulvik, R J

2007-01-01

Commonly used techniques for trace-element analysis in human biological material are flame atomic absorption spectrometry (FAAS), graphite furnace atomic absorption spectrometry (GFAAS), inductively coupled plasma atomic emission spectrometry (ICP-AES) and inductively coupled plasma mass spectrometry (ICP-MS). Elements that form volatile hydrides, first of all mercury, are analysed by hydride generation techniques. In the absorption techniques the samples are vaporized into free, neutral atoms and illuminated by a light source that emits the atomic spectrum of the element under analysis. The absorbance gives a quantitative measure of the concentration of the element. ICP-AES and ICP-MS are multi-element techniques. In ICP-AES the atoms of the sample are excited by, for example, argon plasma at very high temperatures. The emitted light is directed to a detector, and the optical signals are processed to values for the concentrations of the elements. In ICP-MS a mass spectrometer separates and detects ions produced by the ICP, according to their mass-to-charge ratio. Dilution of biological fluids is commonly needed to reduce the effect of the matrix. Digestion using acids and microwave energy in closed vessels at elevated pressure is often used. Matrix and spectral interferences may cause problems. Precautions should be taken against trace-element contamination during collection, storage and processing of samples. For clinical problems requiring the analysis of only one or a few elements, the use of FAAS may be sufficient, unless the higher sensitivity of GFAAS is required. For screening of multiple elements, however, the ICP techniques are preferable.

Analysis of Crushing Response of Composite Crashworthy Structures

NASA Astrophysics Data System (ADS)

David, Matthew; Johnson, Alastair F.; Voggenreiter, H.

2013-10-01

The paper describes quasi-static and dynamic tests to characterise the energy absorption properties of polymer composite crash energy absorbing segment elements under axial loads. Detailed computer tomography scans of failed specimens are used to identify local compression crush failure mechanisms at the crush front. The varied crushing morphology between the compression strain rates identified in this paper is observed to be due to the differences in the response modes and mechanical properties of the strain dependent epoxy matrix. The importance of understanding the role of strain rate effects in composite crash energy absorbing structures is highlighted in this paper.

Bivariate- distribution for transition matrix elements in Breit-Wigner to Gaussian domains of interacting particle systems.

PubMed

Kota, V K B; Chavda, N D; Sahu, R

2006-04-01

Interacting many-particle systems with a mean-field one-body part plus a chaos generating random two-body interaction having strength lambda exhibit Poisson to Gaussian orthogonal ensemble and Breit-Wigner (BW) to Gaussian transitions in level fluctuations and strength functions with transition points marked by lambda = lambda c and lambda = lambda F, respectively; lambda F > lambda c. For these systems a theory for the matrix elements of one-body transition operators is available, as valid in the Gaussian domain, with lambda > lambda F, in terms of orbital occupation numbers, level densities, and an integral involving a bivariate Gaussian in the initial and final energies. Here we show that, using a bivariate-t distribution, the theory extends below from the Gaussian regime to the BW regime up to lambda = lambda c. This is well tested in numerical calculations for 6 spinless fermions in 12 single-particle states.

Properties of quantum systems via diagonalization of transition amplitudes. II. Systematic improvements of short-time propagation

NASA Astrophysics Data System (ADS)

Vidanović, Ivana; Bogojević, Aleksandar; Balaž, Antun; Belić, Aleksandar

2009-12-01

In this paper, building on a previous analysis [I. Vidanović, A. Bogojević, and A. Belić, preceding paper, Phys. Rev. E 80, 066705 (2009)] of exact diagonalization of the space-discretized evolution operator for the study of properties of nonrelativistic quantum systems, we present a substantial improvement to this method. We apply recently introduced effective action approach for obtaining short-time expansion of the propagator up to very high orders to calculate matrix elements of space-discretized evolution operator. This improves by many orders of magnitude previously used approximations for discretized matrix elements and allows us to numerically obtain large numbers of accurate energy eigenvalues and eigenstates using numerical diagonalization. We illustrate this approach on several one- and two-dimensional models. The quality of numerically calculated higher-order eigenstates is assessed by comparison with semiclassical cumulative density of states.

Gamow-Teller Strength Distributions in {sup 48}Sc by the {sup 48}Ca(p,n) and {sup 48}Ti(n,p) Reactions and Two-Neutrino Double-beta Decay Nuclear Matrix Elements

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

Yako, K.; Sasano, M.; Miki, K.

2009-07-03

The double-differential cross sections for the {sup 48}Ca(p,n) and {sup 48}Ti(n,p) reactions were measured at 300 MeV. A multipole decomposition technique was applied to the spectra to extract the Gamow-Teller (GT) components. The integrated GT strengths up to an excitation energy of 30 MeV in {sup 48}Sc are 15.3+-2.2 and 2.8+-0.3 in the (p,n) and (n,p) spectra, respectively. In the (n,p) spectra additional GT strengths were found above 8 MeV where shell models within the fp shell-model space predict almost no GT strengths, suggesting that the present shell-model description of the nuclear matrix element of the two-neutrino double-beta decay ismore » incomplete.« less

Low-temperature anomalies in the dynamic elastic moduli of cubic AIIBVI crystals with 3d-transition metal impurities

NASA Astrophysics Data System (ADS)

Lonchakov, A. T.

2011-04-01

A negative paramagnetic contribution to the dynamic elastic moduli is identified in AIIBVI:3d wide band-gap compounds for the first time. It appears as a paramagnetic elastic, or, briefly, paraelastic, susceptibility. These compounds are found to have a linear temperature dependence for the inverse paraelastic susceptibility. This is explained by a contribution from the diagonal matrix elements of the orbit-lattice interaction operators in the energy of the spin-orbital states of the 3d-ion as a function of applied stress (by analogy with the Curie contribution to the magnetic susceptibility). The inverse paraelastic susceptibility of AIIBVI crystals containing non-Kramers 3d-ions is found to deviate from linearity with decreasing temperature and reaches saturation. This effect is explained by a contribution from nondiagonal matrix elements (analogous to the well known van Vleck contribution to the magnetic susceptibility of paramagnets).

Investigation of Micro-Scale Architectural Effects on Damage of Composites

NASA Technical Reports Server (NTRS)

Stier, Bertram; Bednarcyk, Brett A.; Simon, Jaan W.; Reese, Stefanie

2015-01-01

This paper presents a three-dimensional, energy based, anisotropic, stiffness reduction, progressive damage model for composite materials and composite material constituents. The model has been implemented as a user-defined constitutive model within the Abaqus finite element software package and applied to simulate the nonlinear behavior of a damaging epoxy matrix within a unidirectional composite material. Three different composite microstructures were considered as finite element repeating unit cells, with appropriate periodicity conditions applied at the boundaries. Results representing predicted transverse tensile, longitudinal shear, and transverse shear stress-strain curves are presented, along with plots of the local fields indicating the damage progression within the microstructure. It is demonstrated that the damage model functions appropriately at the matrix scale, enabling localization of the damage to simulate failure of the composite material. The influence of the repeating unit cell geometry and the effect of the directionality of the applied loading are investigated and discussed.

Insights from the Lattice-Strain Evolution on Deformation Mechanisms in Metallic-Glass-Matrix Composites

DOE PAGES

Jia, Haoling; Zheng, Lili; Li, Weidong; ...

2015-02-18

In this paper, in situ high-energy synchrotron X-ray diffraction experiments and micromechanics-based finite element simulations have been conducted to examine the lattice-strain evolution in metallic-glass-matrix composites (MGMCs) with dendritic crystalline phases dispersed in the metallic-glass matrix. Significant plastic deformation can be observed prior to failure from the macroscopic stress–strain curves in these MGMCs. The entire lattice-strain evolution curves can be divided into elastic–elastic (denoting deformation behavior of matrix and inclusion, respectively), elastic–plastic, and plastic–plastic stages. Characteristics of these three stages are governed by the constitutive laws of the two phases (modeled by free-volume theory and crystal plasticity) and geometric informationmore » (crystalline phase morphology and distribution). The load-partitioning mechanisms have been revealed among various crystalline orientations and between the two phases, as determined by slip strain fields in crystalline phase and by strain localizations in matrix. Finally, implications on ductility enhancement of MGMCs are also discussed.« less

Vector meson photoproduction with a linearly polarized beam

NASA Astrophysics Data System (ADS)

Mathieu, V.; Nys, J.; Fernández-Ramírez, C.; Jackura, A.; Pilloni, A.; Sherrill, N.; Szczepaniak, A. P.; Fox, G.; Joint Physics Analysis Center

2018-05-01

We propose a model based on Regge theory to describe photoproduction of light vector mesons. We fit the SLAC data and make predictions for the energy and momentum-transfer dependence of the spin-density matrix elements in photoproduction of ω , ρ0 and ϕ mesons at Eγ˜8.5 GeV , which are soon to be measured at Jefferson Lab.

The Effective Potential Energy Surfaces of the Nonadiabatic Collision

DTIC Science & Technology

2009-03-01

effective PESs data was extracted for the equilibrium H2 bond length and used to calculate inelastic scattering matrix elements using the time ...very grateful not only for the time he devoted each week to discussing the status of the work, but also his infectious love of learning that is...33 Structure of the Asymptotic Representation ................................................................. 43 The Time -Dependent

An adhesive contact mechanics formulation based on atomistically induced surface traction

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

Fan, Houfu; Ren, Bo; Li, Shaofan, E-mail: shaofan@berkeley.edu

2015-12-01

In this work, we have developed a novel multiscale computational contact formulation based on the generalized Derjuguin approximation for continua that are characterized by atomistically enriched constitutive relations in order to study macroscopic interaction between arbitrarily shaped deformable continua. The proposed adhesive contact formulation makes use of the microscopic interaction forces between individual particles in the interacting bodies. In particular, the double-layer volume integral describing the contact interaction (energy, force vector, matrix) is converted into a double-layer surface integral through a mathematically consistent approach that employs the divergence theorem and a special partitioning technique. The proposed contact model is formulatedmore » in the nonlinear continuum mechanics framework and implemented using the standard finite element method. With no large penalty constant, the stiffness matrix of the system will in general be well-conditioned, which is of great significance for quasi-static analysis. Three numerical examples are presented to illustrate the capability of the proposed method. Results indicate that with the same mesh configuration, the finite element computation based on the surface integral approach is faster and more accurate than the volume integral based approach. In addition, the proposed approach is energy preserving even in a very long dynamic simulation.« less

Review of lattice results concerning low-energy particle physics

DOE PAGES

Aoki, S.; Aoki, Y.; Bernard, C.; ...

2014-09-01

We review lattice results related to pion, kaon, D- and B-meson physics with the aim of making them easily accessible to the particle physics community. More specifically, we report on the determination of the light-quark masses, the form factor f+(0), arising in semileptonic K -> pi transition at zero momentum transfer, as well as the decay constant ratio fK/fpi of decay constants and its consequences for the CKM matrix elements Vus and Vud. Furthermore, we describe the results obtained on the lattice for some of the low-energy constants of SU(2)LxSU(2)R and SU(3)LxSU(3)R Chiral Perturbation Theory and review the determination ofmore » the BK parameter of neutral kaon mixing. The inclusion of heavy-quark quantities significantly expands the FLAG scope with respect to the previous review. Therefore, for this review, we focus on D- and B-meson decay constants, form factors, and mixing parameters, since these are most relevant for the determination of CKM matrix elements and the global CKM unitarity-triangle fit. In addition we review the status of lattice determinations of the strong coupling constant alpha_s.« less

Minerals associated with biofilms occurring on exposed rock in a granitic underground research laboratory.

PubMed

Brown, D A; Kamineni, D C; Sawicki, J A; Beveridge, T J

1994-09-01

The concept of disposal of nuclear fuel waste in crystalline rock requires the effects of microbial action to be investigated. The Underground Research Laboratory excavated in a pluton of the Canadian Shield provides a unique opportunity to study these effects. Three biofilms kept moist by seepage through fractures in granitic rock faces of the Underground Research Laboratory have been examined. The biofilms contained a variety of gram-negative and gram-positive morphotypes held together by an organic extracellular matrix. Nutrient levels in the groundwater were low, but energy-dispersive X-ray spectroscopy has shown biogeochemical immobilization of several elements in the biofilms; some of these elements were concentrated from extremely dilute environmental concentrations, and all elements were chemically complexed together to form amorphous or crystalline fine-grained minerals. These were seen by transmission electron microscopy to be both associated with the surfaces of the bacteria and scattered throughout the extracellular matrix, suggesting their de novo development through bacterial surface-mediated nucleation. The biofilm consortia are thought to concentrate elements both by passive sorption and by energy metabolism. By Mössbauer spectroscopy and X-ray diffraction, one of the biofilms showed that iron was both oxidized and precipitated as ferrihydrite or hematite aerobically and reduced and precipitated as siderite anaerobically. We believe that some Archean banded-iron formations could have been formed in a manner similar to this, as it would explain the deposition of hematite and siderite in close proximity. This biogeochemical development of minerals may also affect the transport of material in waste disposal sites.

Minerals Associated with Biofilms Occurring on Exposed Rock in a Granitic Underground Research Laboratory

PubMed Central

Brown, D. Ann; Kamineni, D. Choudari; Sawicki, Jerzy A.; Beveridge, Terry J.

1994-01-01

The concept of disposal of nuclear fuel waste in crystalline rock requires the effects of microbial action to be investigated. The Underground Research Laboratory excavated in a pluton of the Canadian Shield provides a unique opportunity to study these effects. Three biofilms kept moist by seepage through fractures in granitic rock faces of the Underground Research Laboratory have been examined. The biofilms contained a variety of gram-negative and gram-positive morphotypes held together by an organic extracellular matrix. Nutrient levels in the groundwater were low, but energy-dispersive X-ray spectroscopy has shown biogeochemical immobilization of several elements in the biofilms; some of these elements were concentrated from extremely dilute environmental concentrations, and all elements were chemically complexed together to form amorphous or crystalline fine-grained minerals. These were seen by transmission electron microscopy to be both associated with the surfaces of the bacteria and scattered throughout the extracellular matrix, suggesting their de novo development through bacterial surface-mediated nucleation. The biofilm consortia are thought to concentrate elements both by passive sorption and by energy metabolism. By Mössbauer spectroscopy and X-ray diffraction, one of the biofilms showed that iron was both oxidized and precipitated as ferrihydrite or hematite aerobically and reduced and precipitated as siderite anaerobically. We believe that some Archean banded-iron formations could have been formed in a manner similar to this, as it would explain the deposition of hematite and siderite in close proximity. This biogeochemical development of minerals may also affect the transport of material in waste disposal sites. Images PMID:16349374

Modeling Fatigue Damage Onset and Progression in Composites Using an Element-Based Virtual Crack Closure Technique Combined With the Floating Node Method

NASA Technical Reports Server (NTRS)

De Carvalho, Nelson V.; Krueger, Ronald

2016-01-01

A new methodology is proposed to model the onset and propagation of matrix cracks and delaminations in carbon-epoxy composites subject to fatigue loading. An extended interface element, based on the Floating Node Method, is developed to represent delaminations and matrix cracks explicitly in a mesh independent fashion. Crack propagation is determined using an element-based Virtual Crack Closure Technique approach to determine mixed-mode energy release rates, and the Paris-Law relationship to obtain crack growth rate. Crack onset is determined using a stressbased onset criterion coupled with a stress vs. cycle curve and Palmgren-Miner rule to account for fatigue damage accumulation. The approach is implemented in Abaqus/Standard® via the user subroutine functionality. Verification exercises are performed to assess the accuracy and correct implementation of the approach. Finally, it was demonstrated that this approach captured the differences in failure morphology in fatigue for two laminates of identical stiffness, but with layups containing ?deg plies that were either stacked in a single group, or distributed through the laminate thickness.

First-principles method for calculating the rate constants of internal-conversion and intersystem-crossing transitions.

PubMed

Valiev, R R; Cherepanov, V N; Baryshnikov, G V; Sundholm, D

2018-02-28

A method for calculating the rate constants for internal-conversion (k IC ) and intersystem-crossing (k ISC ) processes within the adiabatic and Franck-Condon (FC) approximations is proposed. The applicability of the method is demonstrated by calculation of k IC and k ISC for a set of organic and organometallic compounds with experimentally known spectroscopic properties. The studied molecules were pyrromethene-567 dye, psoralene, hetero[8]circulenes, free-base porphyrin, naphthalene, and larger polyacenes. We also studied fac-Alq 3 and fac-Ir(ppy) 3 , which are important molecules in organic light emitting diodes (OLEDs). The excitation energies were calculated at the multi-configuration quasi-degenerate second-order perturbation theory (XMC-QDPT2) level, which is found to yield excitation energies in good agreement with experimental data. Spin-orbit coupling matrix elements, non-adiabatic coupling matrix elements, Huang-Rhys factors, and vibrational energies were calculated at the time-dependent density functional theory (TDDFT) and complete active space self-consistent field (CASSCF) levels. The computed fluorescence quantum yields for the pyrromethene-567 dye, psoralene, hetero[8]circulenes, fac-Alq 3 and fac-Ir(ppy) 3 agree well with experimental data, whereas for the free-base porphyrin, naphthalene, and the polyacenes, the obtained quantum yields significantly differ from the experimental values, because the FC and adiabatic approximations are not accurate for these molecules.

Improved lattice computation of proton decay matrix elements

DOE PAGES

Aoki, Yasumichi; Izubuchi, Taku; Shintani, Eigo; ...

2017-07-14

In this paper, we present an improved result for the lattice computation of the proton decay matrix elements in N f = 2 + 1 QCD. In this study, by adopting the error reduction technique of all-mode-averaging, a significant improvement of the statistical accuracy is achieved for the relevant form factor of proton (and also neutron) decay on the gauge ensemble of N f= 2 + 1 domain-wall fermions with m π = 0.34 – 0.69 GeV on a 2.7 fm 3 lattice, as used in our previous work. We improve the total accuracy of matrix elements to 10–15% from 30–40% for p → πe + or from 20–40% for p → Kmore » $$\\bar{ν}$$. The accuracy of the low-energy constants α and β in the leading-order baryon chiral perturbation theory (BChPT) of proton decay are also improved. The relevant form factors of p → π estimated through the “direct” lattice calculation from the three-point function appear to be 1.4 times smaller than those from the “indirect” method using BChPT with α and β . It turns out that the utilization of our result will provide a factor 2–3 larger proton partial lifetime than that obtained using BChPT. Lastly, we also discuss the use of these parameters in a dark matter model.« less

PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra

NASA Astrophysics Data System (ADS)

Sibaev, Marat; Crittenden, Deborah L.

2016-06-01

The PyVCI program package is a general purpose open-source code for simulating accurate molecular spectra, based upon force field expansions of the potential energy surface in normal mode coordinates. It includes harmonic normal coordinate analysis and vibrational configuration interaction (VCI) algorithms, implemented primarily in Python for accessibility but with time-consuming routines written in C. Coriolis coupling terms may be optionally included in the vibrational Hamiltonian. Non-negligible VCI matrix elements are stored in sparse matrix format to alleviate the diagonalization problem. CPU and memory requirements may be further controlled by algorithmic choices and/or numerical screening procedures, and recommended values are established by benchmarking using a test set of 44 molecules for which accurate analytical potential energy surfaces are available. Force fields in normal mode coordinates are obtained from the PyPES library of high quality analytical potential energy surfaces (to 6th order) or by numerical differentiation of analytic second derivatives generated using the GAMESS quantum chemical program package (to 4th order).

Nano-sized precipitate stability and its controlling factors in a NiAl-strengthened ferritic alloy

DOE PAGES

Sun, Zhiqian; Song, Gian; Ilavsky, Jan; ...

2015-11-05

Coherent B2-ordered NiAl-type precipitates have been used to reinforce solid-solution bodycentered- cubic iron for high-temperature application in fossil-energy power plants. In this study, the stability of nano-sized precipitates in a NiAl-strengthened ferritic alloy was investigated at 700 - 950°C using ultra-small angle X-ray scattering and electron microscopies. Here we show that the coarsening kinetics of NiAl-type precipitates is in excellent agreement with the ripening model in multicomponent alloys. We further demonstrate that the interfacial energy between the matrix and NiAl-type precipitates is strongly dependent to differences in the matrix/precipitate compositions. The results profile the ripening process in multicomponent alloys bymore » illustrating controlling factors (i.e., interfacial energy, diffusivities, and element partitioning). As a result, the study provides guidelines to design and develop high-temperature alloys with stable microstructures for long-term service.« less

POTHMF: A program for computing potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field

NASA Astrophysics Data System (ADS)

Chuluunbaatar, O.; Gusev, A. A.; Gerdt, V. P.; Rostovtsev, V. A.; Vinitsky, S. I.; Abrashkevich, A. G.; Kaschiev, M. S.; Serov, V. V.

2008-02-01

A FORTRAN 77 program is presented which calculates with the relative machine precision potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field. The potential curves are eigenvalues corresponding to the angular oblate spheroidal functions that compose adiabatic basis which depends on the radial variable as a parameter. The matrix elements of radial coupling are integrals in angular variables of the following two types: product of angular functions and the first derivative of angular functions in parameter, and product of the first derivatives of angular functions in parameter, respectively. The program calculates also the angular part of the dipole transition matrix elements (in the length form) expressed as integrals in angular variables involving product of a dipole operator and angular functions. Moreover, the program calculates asymptotic regular and irregular matrix solutions of the coupled adiabatic radial equations at the end of interval in radial variable needed for solving a multi-channel scattering problem by the generalized R-matrix method. Potential curves and radial matrix elements computed by the POTHMF program can be used for solving the bound state and multi-channel scattering problems. As a test desk, the program is applied to the calculation of the energy values, a short-range reaction matrix and corresponding wave functions with the help of the KANTBP program. Benchmark calculations for the known photoionization cross-sections are presented. Program summaryProgram title:POTHMF Catalogue identifier:AEAA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAA_v1_0.html Program obtainable from:CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions:Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.:8123 No. of bytes in distributed program, including test data, etc.:131 396 Distribution format:tar.gz Programming language:FORTRAN 77 Computer:Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IV Operating system:OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XP RAM:Depends on the number of radial differential equations; the number and order of finite elements; the number of radial points. Test run requires 4 MB Classification:2.5 External routines:POTHMF uses some Lapack routines, copies of which are included in the distribution (see README file for details). Nature of problem:In the multi-channel adiabatic approach the Schrödinger equation for a hydrogen-like atom in a homogeneous magnetic field of strength γ ( γ=B/B, B≅2.35×10 T is a dimensionless parameter which determines the field strength B) is reduced by separating the radial coordinate, r, from the angular variables, (θ,φ), and using a basis of the angular oblate spheroidal functions [3] to a system of second-order ordinary differential equations which contain first-derivative coupling terms [4]. The purpose of this program is to calculate potential curves and matrix elements of radial coupling needed for calculating the low-lying bound and scattering states of hydrogen-like atoms in a homogeneous magnetic field of strength 0<γ⩽1000 within the adiabatic approach [5]. The program evaluates also asymptotic regular and irregular matrix radial solutions of the multi-channel scattering problem needed to extract from the R-matrix a required symmetric shortrange open-channel reaction matrix K [6] independent from matching point [7]. In addition, the program computes the dipole transition matrix elements in the length form between the basis functions that are needed for calculating the dipole transitions between the low-lying bound and scattering states and photoionization cross sections [8]. Solution method:The angular oblate spheroidal eigenvalue problem depending on the radial variable is solved using a series expansion in the Legendre polynomials [3]. The resulting tridiagonal symmetric algebraic eigenvalue problem for the evaluation of selected eigenvalues, i.e. the potential curves, is solved by the LDLT factorization using the DSTEVR program [2]. Derivatives of the eigenfunctions with respect to the radial variable which are contained in matrix elements of the coupled radial equations are obtained by solving the inhomogeneous algebraic equations. The corresponding algebraic problem is solved by using the LDLT factorization with the help of the DPTTRS program [2]. Asymptotics of the matrix elements at large values of radial variable are computed using a series expansion in the associated Laguerre polynomials [9]. The corresponding matching points between the numeric and asymptotic solutions are found automatically. These asymptotics are used for the evaluation of the asymptotic regular and irregular matrix radial solutions of the multi-channel scattering problem [7]. As a test desk, the program is applied to the calculation of the energy values of the ground and excited bound states and reaction matrix of multi-channel scattering problem for a hydrogen atom in a homogeneous magnetic field using the KANTBP program [10]. Restrictions:The computer memory requirements depend on: the number of radial differential equations; the number and order of finite elements; the total number of radial points. Restrictions due to dimension sizes can be changed by resetting a small number of PARAMETER statements before recompiling (see Introduction and listing for details). Running time:The running time depends critically upon: the number of radial differential equations; the number and order of finite elements; the total number of radial points on interval [r,r]. The test run which accompanies this paper took 7 s required for calculating of potential curves, radial matrix elements, and dipole transition matrix elements on a finite-element grid on interval [ r=0, r=100] used for solving discrete and continuous spectrum problems and obtaining asymptotic regular and irregular matrix radial solutions at r=100 for continuous spectrum problem on the Intel Pentium IV 2.4 GHz. The number of radial differential equations was equal to 6. The accompanying test run using the KANTBP program took 2 s for solving discrete and continuous spectrum problems using the above calculated potential curves, matrix elements and asymptotic regular and irregular matrix radial solutions. Note, that in the accompanied benchmark calculations of the photoionization cross-sections from the bound states of a hydrogen atom in a homogeneous magnetic field to continuum we have used interval [ r=0, r=1000] for continuous spectrum problem. The total number of radial differential equations was varied from 10 to 18. References:W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986. http://www.netlib.org/lapack/. M. Abramovits, I.A. Stegun, Handbook of Mathematical Functions, Dover, New York, 1965. U. Fano, Colloq. Int. C.N.R.S. 273 (1977) 127; A.F. Starace, G.L. Webster, Phys. Rev. A 19 (1979) 1629-1640; C.V. Clark, K.T. Lu, A.F. Starace, in: H.G. Beyer, H. Kleinpoppen (Eds.), Progress in Atomic Spectroscopy, Part C, Plenum, New York, 1984, pp. 247-320; U. Fano, A.R.P. Rau, Atomic Collisions and Spectra, Academic Press, Florida, 1986. M.G. Dimova, M.S. Kaschiev, S.I. Vinitsky, J. Phys. B 38 (2005) 2337-2352; O. Chuluunbaatar, A.A. Gusev, V.L. Derbov, M.S. Kaschiev, V.V. Serov, T.V. Tupikova, S.I. Vinitsky, Proc. SPIE 6537 (2007) 653706-1-18. M.J. Seaton, Rep. Prog. Phys. 46 (1983) 167-257. M. Gailitis, J. Phys. B 9 (1976) 843-854; J. Macek, Phys. Rev. A 30 (1984) 1277-1278; S.I. Vinitsky, V.P. Gerdt, A.A. Gusev, M.S. Kaschiev, V.A. Rostovtsev, V.N. Samoylov, T.V. Tupikova, O. Chuluunbaatar, Programming and Computer Software 33 (2007) 105-116. H. Friedrich, Theoretical Atomic Physics, Springer, New York, 1991. R.J. Damburg, R.Kh. Propin, J. Phys. B 1 (1968) 681-691; J.D. Power, Phil. Trans. Roy. Soc. London A 274 (1973) 663-702. O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Comm. 177 (2007) 649-675.

Optical absorption of zigzag single walled boron nitride nanotubes in axial magnetic field

NASA Astrophysics Data System (ADS)

Chegel, Raad; Behzad, Somayeh

2013-11-01

We have investigated the effect of axial magnetic field on the band structure, dipole matrix elements and absorption spectrum in different energy ranges, using tight binding approximation. It is found that magnetic field breaks the degeneracy in the band structure and creates new allowed transitions in the dipole matrix which leads to creation of new peaks in the absorption spectrum. It is found that, unlike to CNTs which show metallic-semiconductor transition, the BNNTs remain semiconductor in any magnetic field strength. By calculation the diameter dependence of peak positions, we found that the positions of three first peaks in the lower energy region (E <5.3 eV) are proportional to n-2. In the middle energy region (7 < E < 7.5 eV) all (n, 0) zigzag BNNTs, with even and odd nanotube index, have two distinct peaks in the absence of magnetic field which these peaks may be used to identify zigzag BNNTs from other tube chiralities. For odd (even) tubes, in the middle energy region, applying the magnetic field leads to splitting of these two peaks into three (five) distinct peaks.

Delamination growth analysis in quasi-isotropic laminates under loads simulating low-velocity impact

NASA Technical Reports Server (NTRS)

Shivakumar, K. N.; Elber, W.

1984-01-01

A geometrically nonlinear finite-element analysis has been developed to calculate the strain energy released by delaminating plates during impact loading. Only the first mode of deformation, which is equivalent to static deflection, was treated. Both the impact loading and delamination in the plate were assumed to be axisymmetric. The strain energy release rate in peeling, GI, and shear sliding, GII, modes were calculated using the fracture mechanics crack closure technique. Energy release rates for various delamination sizes and locations and for various plate configurations and materials were compared. The analysis indicated that shear sliding was the primary mode of delamination growth. The analysis also indicated that the midplane (maximum transverse shear stress plane) delamination was more critical and would grow first before any other delamination of the same size near the midplane region. The delamination growth rate was higher (neutrally stable) for a low toughness (brittle) matrix and slower (stable) for high toughness matrix. The energy release rate in the peeling mode, GI, for a near-surface delamination can be as high as 0.5GII, and can contribute significantly to the delamination growth.

Sparsity of the normal matrix in the refinement of macromolecules at atomic and subatomic resolution.

PubMed

Jelsch, C

2001-09-01

The normal matrix in the least-squares refinement of macromolecules is very sparse when the resolution reaches atomic and subatomic levels. The elements of the normal matrix, related to coordinates, thermal motion and charge-density parameters, have a global tendency to decrease rapidly with the interatomic distance between the atoms concerned. For instance, in the case of the protein crambin at 0.54 A resolution, the elements are reduced by two orders of magnitude for distances above 1.5 A. The neglect a priori of most of the normal-matrix elements according to a distance criterion represents an approximation in the refinement of macromolecules, which is particularly valid at very high resolution. The analytical expressions of the normal-matrix elements, which have been derived for the coordinates and the thermal parameters, show that the degree of matrix sparsity increases with the diffraction resolution and the size of the asymmetric unit.

Theoretical study of solvent effects on the electronic coupling matrix elements in rigidly linked donor-acceptor systems

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

Cave, R.J.; Newton, M.D.; Kumar, K.

1995-12-07

The recently developed generalized Mulliken-Hush approach for the calculation of the electronic coupling matrix element for electron-transfer processes is applied to two rigidly linked donor-bridge-acceptor systems having dimethoxyanthracene as the donor and a dicarbomethoxycyclobutene unit as the acceptor. The dependence of the electronic coupling matrix element as a function of bridge type is examined with and without solvent molecules present. For clamp-shaped bridge structures solvent can have a dramatic effect on the electronic coupling matrix element. The behavior with variation of solvent is in good agreement with that observed experimentally for these systems. 23 refs., 2 tabs.

Double Charge Exchange Reactions and Double Beta Decay

NASA Astrophysics Data System (ADS)

Auerbach, N.

2018-05-01

The subject of this presentation is at the forefront of nuclear physics, namely double beta decay. In particular one is most interested in the neutrinoless process of double beta decay, when the decay proceeds without the emission of two neutrinos. The observation of such decay would mean that the lepton conservation symmetry is violated and that the neutrinos are of Majorana type, meaning that they are their own anti-particles. The life time of this process has two unknowns, the mass of the neutrino and the nuclear matrix element. Determining the nuclear matrix element and knowing the cross-section well will set limits on the neutrino mass. There is a concentrated effort among the nuclear physics community to calculate this matrix element. Usually these matrix elements are a very small part of the total strength of the transition operators involved in the process. There is no simple way to “calibrate” the nuclear double beta decay matrix element. The double beta decay is a double charge exchange process, therefore it is proposed that double charge exchange reactions using ion projectiles on nuclei that are candidates for double beta decay, will provide additional necessary information about the nuclear matrix elements.

Derivation of the chemical-equilibrium rate coefficient using scattering theory

NASA Technical Reports Server (NTRS)

Mickens, R. E.

1977-01-01

Scattering theory is applied to derive the equilibrium rate coefficient for a general homogeneous chemical reaction involving ideal gases. The reaction rate is expressed in terms of the product of a number of normalized momentum distribution functions, the product of the number of molecules with a given internal energy state, and the spin-averaged T-matrix elements. An expression for momentum distribution at equilibrium for an arbitrary molecule is presented, and the number of molecules with a given internal-energy state is represented by an expression which includes the partition function.

The Linear Parameters and the Decoupling Matrix for Linearly Coupled Motion in 6 Dimensional Phase Space

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

Parzen, George

It will be shown that starting from a coordinate system where the 6 phase space coordinates are linearly coupled, one can go to a new coordinate system, where the motion is uncoupled, by means of a linear transformation. The original coupled coordinates and the new uncoupled coordinates are related by a 6 x 6 matrix, R. R will be called the decoupling matrix. It will be shown that of the 36 elements of the 6 x 6 decoupling matrix R, only 12 elements are independent. This may be contrasted with the results for motion in 4- dimensional phase space, wheremore » R has 4 independent elements. A set of equations is given from which the 12 elements of R can be computed from the one period transfer matrix. This set of equations also allows the linear parameters, the β i,α i, i = 1, 3, for the uncoupled coordinates, to be computed from the one period transfer matrix. An alternative procedure for computing the linear parameters,β i,α i, i = 1, 3, and the 12 independent elements of the decoupling matrix R is also given which depends on computing the eigenvectors of the one period transfer matrix. These results can be used in a tracking program, where the one period transfer matrix can be computed by multiplying the transfer matrices of all the elements in a period, to compute the linear parameters α i and β i, i = 1, 3, and the elements of the decoupling matrix R. The procedure presented here for studying coupled motion in 6-dimensional phase space can also be applied to coupled motion in 4-dimensional phase space, where it may be a useful alternative procedure to the procedure presented by Edwards and Teng. In particular, it gives a simpler programing procedure for computing the beta functions and the emittances for coupled motion in 4-dimensional phase space.« less

The linear parameters and the decoupling matrix for linearly coupled motion in 6 dimensional phase space. Informal report

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

Parzen, G.

It will be shown that starting from a coordinate system where the 6 phase space coordinates are linearly coupled, one can go to a new coordinate system, where the motion is uncoupled, by means of a linear transformation. The original coupled coordinates and the new uncoupled coordinates are related by a 6 {times} 6 matrix, R. R will be called the decoupling matrix. It will be shown that of the 36 elements of the 6 {times} 6 decoupling matrix R, only 12 elements are independent. This may be contrasted with the results for motion in 4-dimensional phase space, where Rmore » has 4 independent elements. A set of equations is given from which the 12 elements of R can be computed from the one period transfer matrix. This set of equations also allows the linear parameters, {beta}{sub i}, {alpha}{sub i} = 1, 3, for the uncoupled coordinates, to be computed from the one period transfer matrix. An alternative procedure for computing the linear parameters, the {beta}{sub i}, {alpha}{sub i} i = 1, 3, and the 12 independent elements of the decoupling matrix R is also given which depends on computing the eigenvectors of the one period transfer matrix. These results can be used in a tracking program, where the one period transfer matrix can be computed by multiplying the transfer matrices of all the elements in a period, to compute the linear parameters {alpha}{sub i} and {beta}{sub i}, i = 1, 3, and the elements of the decoupling matrix R. The procedure presented here for studying coupled motion in 6-dimensional phase space can also be applied to coupled motion in 4-dimensional phase space, where it may be a useful alternative procedure to the procedure presented by Edwards and Teng. In particular, it gives a simpler programming procedure for computing the beta functions and the emittances for coupled motion in 4-dimensional phase space.« less

Spin-Polarized Tunneling at Interfaces Between Oxides and Metals or Semiconductors

DTIC Science & Technology

2006-09-01

solution 3 3. Several miscellaneous compounds , including molecular oxygen and organic biradicals 4. Metals When a variable magnetic field is...substrate layer) Heusler alloys are considered to be prime candidates, because they show great potential for spin-injection contacts to compound and...usually employ simple parabolic bands and/or momentum and energy independent tunneling matrix elements. The classical theory of tunneling assumes that the

Modular Exhaust Design and Manufacturing Techniques for Low Cost Mid Volume Rapid Buidl to Order Systems

DTIC Science & Technology

2014-08-06

the pressure field is uniform across them, but which allow mass flow to be diverted. Series elements have a constant mass flow across the ports...they can be used to calculate the pressure and mass flow after the element from the pressure and mass flow prior to the element, as shown in...the matrix product of each transfer matrix in turn. The final matrix gives no information about the pressures and mass flows within the element

Accurate potential energy functions, non-adiabatic and spin-orbit couplings in the ZnH(+) system.

PubMed

Liang, Guiying; Liu, Xiaoting; Zhang, Xiaomei; Xu, Haifeng; Yan, Bing

2016-03-05

A high-level ab initio calculation on the ZnH(+) cation has been carried out with the multi-reference configuration interaction method plus Davison correction (MRCI+Q). The scalar relativistic effect is included by using the Douglas-Kroll-Hess (DKH) method. The calculated potential energy curves (PECs) of the 7 Λ-S states are associated with the dissociation limits of Zn(+)((2)Sg)+H((2)Sg), Zn((1)Sg)+H(+)((1)Sg), and Zn(+)((2)Pu)+H((2)Sg), respectively (The Λ-S state is labeled as (2S+1)Λ, in which Λ is the quantum number for the projection along the internuclear axis of the total electronic orbital angular momentum and S is the total electron spin). The spectroscopic constants of the bound states are determined and in good agreement with the available theoretical and experimental results. The permanent dipole moments (PDMs) of Λ-S states and the spin-orbit (SO) matrix elements between Λ-S states are also computed. The results show that the abrupt changes of the PDMs and SO matrix elements come into being for the reason of the avoided crossing between the states with the same symmetry. In addition, the non-adiabatic couplings matrix elements between Λ-S states are also evaluated. Finally, the spin-orbit couplings (SOCs) for the low-lying states are considered with Breit-Pauli operator. The SOC effect makes the 7 Λ-S states of the ZnH(+) cation split into 12 Ω states (Ω=Λ+Sz, in which Sz is projection of the total electron spin S along the internuclear Z-axis). For the (3)0(+) state, the two energy minima exhibit in the potential, which could be attributed to the formation of the new avoided crossing point. The transition dipole moments (TDMs), Franck-Condon factors, and the radiative lifetimes of the selected transitions (2)0(+)-X0(+), (3)0(+)-X0(+), (2)1-X0(+) and (3)1-X0(+) have been reported. Copyright © 2015 Elsevier B.V. All rights reserved.

Short-range correlations in carbon-12, oxygen-16, and neon-20: Intrinsic properties

NASA Technical Reports Server (NTRS)

Braley, R. C.; Ford, W. F.; Becker, R. L.; Patterson, M. R.

1972-01-01

The Brueckner-Hartree-Fock (BHF) method has been applied to nuclei whose intrinsic structure is nonspherical. Reaction matrix elements were calculated as functions of starting energy for the Hamada-Johnston interaction using the Pauli operator appropriate to O-16 and a shifted oscillator spectrum for virtual excited states. Binding energies, single particle energies, radii, and shape deformations of the intrinsic state, in ordinary as well as renormalized BHF, are discussed and compared with previous HF studies and with experiment when possible. Results are presented for C-12, 0-16 and Ne-20. It is found that the binding energies and radii are too small, but that separation energies are well reproduced when the renormalized theory is used.

Deconvolution of Energy Spectra in the ATIC Experiment

NASA Technical Reports Server (NTRS)

Batkov, K. E.; Panov, A. D.; Adams, J. H.; Ahn, H. S.; Bashindzhagyan, G. L.; Chang, J.; Christl, M.; Fazley, A. R.; Ganel, O.; Gunasigha, R. M.;

Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks.

PubMed

Saravanan, Chandra; Shao, Yihan; Baer, Roi; Ross, Philip N; Head-Gordon, Martin

2003-04-15

A sparse matrix multiplication scheme with multiatom blocks is reported, a tool that can be very useful for developing linear-scaling methods with atom-centered basis functions. Compared to conventional element-by-element sparse matrix multiplication schemes, efficiency is gained by the use of the highly optimized basic linear algebra subroutines (BLAS). However, some sparsity is lost in the multiatom blocking scheme because these matrix blocks will in general contain negligible elements. As a result, an optimal block size that minimizes the CPU time by balancing these two effects is recovered. In calculations on linear alkanes, polyglycines, estane polymers, and water clusters the optimal block size is found to be between 40 and 100 basis functions, where about 55-75% of the machine peak performance was achieved on an IBM RS6000 workstation. In these calculations, the blocked sparse matrix multiplications can be 10 times faster than a standard element-by-element sparse matrix package. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 618-622, 2003

Refractive index inversion based on Mueller matrix method

NASA Astrophysics Data System (ADS)

Fan, Huaxi; Wu, Wenyuan; Huang, Yanhua; Li, Zhaozhao

2016-03-01

Based on Stokes vector and Jones vector, the correlation between Mueller matrix elements and refractive index was studied with the result simplified, and through Mueller matrix way, the expression of refractive index inversion was deduced. The Mueller matrix elements, under different incident angle, are simulated through the expression of specular reflection so as to analyze the influence of the angle of incidence and refractive index on it, which is verified through the measure of the Mueller matrix elements of polished metal surface. Research shows that, under the condition of specular reflection, the result of Mueller matrix inversion is consistent with the experiment and can be used as an index of refraction of inversion method, and it provides a new way for target detection and recognition technology.

Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation

NASA Astrophysics Data System (ADS)

Thallmair, Sebastian; Roos, Matthias K.; de Vivie-Riedle, Regina

2016-06-01

Quantum dynamics simulations require prior knowledge of the potential energy surface as well as the kinetic energy operator. Typically, they are evaluated in a low-dimensional subspace of the full configuration space of the molecule as its dimensionality increases proportional to the number of atoms. This entails the challenge to find the most suitable subspace. We present an approach to design specially adapted reactive coordinates spanning this subspace. In addition to the essential geometric changes, these coordinates take into account the relaxation of the non-reactive coordinates without the necessity of performing geometry optimizations at each grid point. The method is demonstrated for an ultrafast photoinduced bond cleavage in a commonly used organic precursor for the generation of electrophiles. The potential energy surfaces for the reaction as well as the Wilson G-matrix as part of the kinetic energy operator are shown for a complex chemical reaction, both including the relaxation of the non-reactive coordinates on equal footing. A microscopic interpretation of the shape of the G-matrix elements allows to analyze the impact of the non-reactive coordinates on the kinetic energy operator. Additionally, we compare quantum dynamics simulations with and without the relaxation of the non-reactive coordinates included in the kinetic energy operator to demonstrate its influence.

Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation.

PubMed

Thallmair, Sebastian; Roos, Matthias K; de Vivie-Riedle, Regina

2016-06-21

Quantum dynamics simulations require prior knowledge of the potential energy surface as well as the kinetic energy operator. Typically, they are evaluated in a low-dimensional subspace of the full configuration space of the molecule as its dimensionality increases proportional to the number of atoms. This entails the challenge to find the most suitable subspace. We present an approach to design specially adapted reactive coordinates spanning this subspace. In addition to the essential geometric changes, these coordinates take into account the relaxation of the non-reactive coordinates without the necessity of performing geometry optimizations at each grid point. The method is demonstrated for an ultrafast photoinduced bond cleavage in a commonly used organic precursor for the generation of electrophiles. The potential energy surfaces for the reaction as well as the Wilson G-matrix as part of the kinetic energy operator are shown for a complex chemical reaction, both including the relaxation of the non-reactive coordinates on equal footing. A microscopic interpretation of the shape of the G-matrix elements allows to analyze the impact of the non-reactive coordinates on the kinetic energy operator. Additionally, we compare quantum dynamics simulations with and without the relaxation of the non-reactive coordinates included in the kinetic energy operator to demonstrate its influence.

Electron-Excited X-Ray Microanalysis at Low Beam Energy: Almost Always an Adventure!

PubMed

Newbury, Dale E; Ritchie, Nicholas W M

2016-08-01

Scanning electron microscopy with energy-dispersive spectrometry has been applied to the analysis of various materials at low-incident beam energies, E 0≤5 keV, using peak fitting and following the measured standards/matrix corrections protocol embedded in the National Institute of Standards and Technology Desktop Spectrum Analyzer-II analytical software engine. Low beam energy analysis provides improved spatial resolution laterally and in-depth. The lower beam energy restricts the atomic shells that can be ionized, reducing the number of X-ray peak families available to the analyst. At E 0=5 keV, all elements of the periodic table except H and He can be measured. As the beam energy is reduced below 5 keV, elements become inaccessible due to lack of excitation of useful characteristic X-ray peaks. The shallow sampling depth of low beam energy microanalysis makes the technique more sensitive to surface compositional modification due to formation of oxides and other reaction layers. Accurate and precise analysis is possible with the use of appropriate standards and by accumulating high count spectra of unknowns and standards (>1 million counts integrated from 0.1 keV to E 0).

The application of nonlinear programming and collocation to optimal aeroassisted orbital transfers

NASA Astrophysics Data System (ADS)

Shi, Y. Y.; Nelson, R. L.; Young, D. H.; Gill, P. E.; Murray, W.; Saunders, M. A.

1992-01-01

Sequential quadratic programming (SQP) and collocation of the differential equations of motion were applied to optimal aeroassisted orbital transfers. The Optimal Trajectory by Implicit Simulation (OTIS) computer program codes with updated nonlinear programming code (NZSOL) were used as a testbed for the SQP nonlinear programming (NLP) algorithms. The state-of-the-art sparse SQP method is considered to be effective for solving large problems with a sparse matrix. Sparse optimizers are characterized in terms of memory requirements and computational efficiency. For the OTIS problems, less than 10 percent of the Jacobian matrix elements are nonzero. The SQP method encompasses two phases: finding an initial feasible point by minimizing the sum of infeasibilities and minimizing the quadratic objective function within the feasible region. The orbital transfer problem under consideration involves the transfer from a high energy orbit to a low energy orbit.

Matrix management in hospitals: testing theories of matrix structure and development.

PubMed

Burns, L R

1989-09-01

A study of 315 hospitals with matrix management programs was used to test several hypotheses concerning matrix management advanced by earlier theorists. The study verifies that matrix management involves several distinctive elements that can be scaled to form increasingly complex types of lateral coordinative devices. The scalability of these elements is evident only cross-sectionally. The results show that matrix complexity is not an outcome of program age, nor does matrix complexity at the time of implementation appear to influence program survival. Matrix complexity, finally, is not determined by the organization's task diversity and uncertainty. The results suggest several modifications in prevailing theories of matrix organization.

A finite element code for modelling tracer transport in a non-isothermal two-phase flow system for CO2 geological storage characterization

NASA Astrophysics Data System (ADS)

Tong, F.; Niemi, A. P.; Yang, Z.; Fagerlund, F.; Licha, T.; Sauter, M.

2011-12-01

This paper presents a new finite element method (FEM) code for modeling tracer transport in a non-isothermal two-phase flow system. The main intended application is simulation of the movement of so-called novel tracers for the purpose of characterization of geologically stored CO2 and its phase partitioning and migration in deep saline formations. The governing equations are based on the conservation of mass and energy. Among the phenomena accounted for are liquid-phase flow, gas flow, heat transport and the movement of the novel tracers. The movement of tracers includes diffusion and the advection associated with the gas and liquid flow. The temperature, gas pressure, suction, concentration of tracer in liquid phase and concentration of tracer in gas phase are chosen as the five primary variables. Parameters such as the density, viscosity, thermal expansion coefficient are expressed in terms of the primary variables. The governing equations are discretized in space using the Galerkin finite element formulation, and are discretized in time by one-dimensional finite difference scheme. This leads to an ill-conditioned FEM equation that has many small entries along the diagonal of the non-symmetric coefficient matrix. In order to deal with the problem of non-symmetric ill-conditioned matrix equation, special techniques are introduced . Firstly, only nonzero elements of the matrix need to be stored. Secondly, it is avoided to directly solve the whole large matrix. Thirdly, a strategy has been used to keep the diversity of solution methods in the calculation process. Additionally, an efficient adaptive mesh technique is included in the code in order to track the wetting front. The code has been validated against several classical analytical solutions, and will be applied for simulating the CO2 injection experiment to be carried out at the Heletz site, Israel, as part of the EU FP7 project MUSTANG.

Superconducting coil and method of stress management in a superconducting coil

DOEpatents

McIntyre, Peter M.; Shen, Weijun; Diaczenko, Nick; Gross, Dan A.

1999-01-01

A superconducting coil (12) having a plurality of superconducting layers (18) is provided. Each superconducting layer (18) may have at least one superconducting element (20) which produces an operational load. An outer support structure (24) may be disposed outwardly from the plurality of layers (18). A load transfer system (22) may be coupled between at least one of the superconducting elements (20) and the outer support structure (24). The load transfer system (22) may include a support matrix structure (30) operable to transfer the operational load from the superconducting element (20) directly to the outer support structure (24). A shear release layer (40) may be disposed, in part, between the superconducting element (20) and the support matrix structure (30) for relieving a shear stress between the superconducting element (20) and the support matrix structure (30). A compliant layer (42) may also be disposed, in part, between the superconducting element (20) and the support matrix structure (30) for relieving a compressive stress on the superconducting element (20).

Solution of the neutronics code dynamic benchmark by finite element method

NASA Astrophysics Data System (ADS)

Avvakumov, A. V.; Vabishchevich, P. N.; Vasilev, A. O.; Strizhov, V. F.

2016-10-01

The objective is to analyze the dynamic benchmark developed by Atomic Energy Research for the verification of best-estimate neutronics codes. The benchmark scenario includes asymmetrical ejection of a control rod in a water-type hexagonal reactor at hot zero power. A simple Doppler feedback mechanism assuming adiabatic fuel temperature heating is proposed. The finite element method on triangular calculation grids is used to solve the three-dimensional neutron kinetics problem. The software has been developed using the engineering and scientific calculation library FEniCS. The matrix spectral problem is solved using the scalable and flexible toolkit SLEPc. The solution accuracy of the dynamic benchmark is analyzed by condensing calculation grid and varying degree of finite elements.

Deploy production sliding mesh capability with linear solver benchmarking.

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

Domino, Stefan P.; Thomas, Stephen; Barone, Matthew F.

Wind applications require the ability to simulate rotating blades. To support this use-case, a novel design-order sliding mesh algorithm has been developed and deployed. The hybrid method combines the control volume finite element methodology (CVFEM) with concepts found within a discontinuous Galerkin (DG) finite element method (FEM) to manage a sliding mesh. The method has been demonstrated to be design-order for the tested polynomial basis (P=1 and P=2) and has been deployed to provide production simulation capability for a Vestas V27 (225 kW) wind turbine. Other stationary and canonical rotating ow simulations are also presented. As the majority of wind-energymore » applications are driving extensive usage of hybrid meshes, a foundational study that outlines near-wall numerical behavior for a variety of element topologies is presented. Results indicate that the proposed nonlinear stabilization operator (NSO) is an effective stabilization methodology to control Gibbs phenomena at large cell Peclet numbers. The study also provides practical mesh resolution guidelines for future analysis efforts. Application-driven performance and algorithmic improvements have been carried out to increase robustness of the scheme on hybrid production wind energy meshes. Specifically, the Kokkos-based Nalu Kernel construct outlined in the FY17/Q4 ExaWind milestone has been transitioned to the hybrid mesh regime. This code base is exercised within a full V27 production run. Simulation timings for parallel search and custom ghosting are presented. As the low-Mach application space requires implicit matrix solves, the cost of matrix reinitialization has been evaluated on a variety of production meshes. Results indicate that at low element counts, i.e., fewer than 100 million elements, matrix graph initialization and preconditioner setup times are small. However, as mesh sizes increase, e.g., 500 million elements, simulation time associated with \\setup-up" costs can increase to nearly 50% of overall simulation time when using the full Tpetra solver stack and nearly 35% when using a mixed Tpetra- Hypre-based solver stack. The report also highlights the project achievement of surpassing the 1 billion element mesh scale for a production V27 hybrid mesh. A detailed timing breakdown is presented that again suggests work to be done in the setup events associated with the linear system. In order to mitigate these initialization costs, several application paths have been explored, all of which are designed to reduce the frequency of matrix reinitialization. Methods such as removing Jacobian entries on the dynamic matrix columns (in concert with increased inner equation iterations), and lagging of Jacobian entries have reduced setup times at the cost of numerical stability. Artificially increasing, or bloating, the matrix stencil to ensure that full Jacobians are included is developed with results suggesting that this methodology is useful in decreasing reinitialization events without loss of matrix contributions. With the above foundational advances in computational capability, the project is well positioned to begin scientific inquiry on a variety of wind-farm physics such as turbine/turbine wake interactions.« less

Recurrent procedure for constructing nonisotropic matrix elements of the collision integral of the nonlinear Boltzmann equation

NASA Astrophysics Data System (ADS)

Ender, I. A.; Bakaleinikov, L. A.; Flegontova, E. Yu.; Gerasimenko, A. B.

2017-08-01

We have proposed an algorithm for the sequential construction of nonisotropic matrix elements of the collision integral, which are required to solve the nonlinear Boltzmann equation using the moments method. The starting elements of the matrix are isotropic and assumed to be known. The algorithm can be used for an arbitrary law of interactions for any ratio of the masses of colliding particles.

Matrix elements of Δ B =0 operators in heavy hadron chiral perturbation theory

NASA Astrophysics Data System (ADS)

Lee, Jong-Wan

2015-05-01

We study the light-quark mass and spatial volume dependence of the matrix elements of Δ B =0 four-quark operators relevant for the determination of Vu b and the lifetime ratios of single-b hadrons. To this end, one-loop diagrams are computed in the framework of heavy hadron chiral perturbation theory with partially quenched formalism for three light-quark flavors in the isospin limit; flavor-connected and -disconnected diagrams are carefully analyzed. These calculations include the leading light-quark flavor and heavy-quark spin symmetry breaking effects in the heavy hadron spectrum. Our results can be used in the chiral extrapolation of lattice calculations of the matrix elements to the physical light-quark masses and to infinite volume. To provide insight on such chiral extrapolation, we evaluate the one-loop contributions to the matrix elements containing external Bd, Bs mesons and Λb baryon in the QCD limit, where sea and valence quark masses become equal. In particular, we find that the matrix elements of the λ3 flavor-octet operators with an external Bd meson receive the contributions solely from connected diagrams in which current lattice techniques are capable of precise determination of the matrix elements. Finite volume effects are at most a few percent for typical lattice sizes and pion masses.

Iron oxide nanomatrix facilitating metal ionization in matrix-assisted laser desorption/ionization mass spectrometry.

PubMed

Obena, Rofeamor P; Lin, Po-Chiao; Lu, Ying-Wei; Li, I-Che; del Mundo, Florian; Arco, Susan dR; Nuesca, Guillermo M; Lin, Chung-Chen; Chen, Yu-Ju

2011-12-15

The significance and epidemiological effects of metals to life necessitate the development of direct, efficient, and rapid method of analysis. Taking advantage of its simple, fast, and high-throughput features, we present a novel approach to metal ion detection by matrix-functionalized magnetic nanoparticle (matrix@MNP)-assisted MALDI-MS. Utilizing 21 biologically and environmentally relevant metal ion solutions, the performance of core and matrix@MNP against conventional matrixes in MALDI-MS and laser desorption ionization (LDI) MS were systemically tested to evaluate the versatility of matrix@MNP as ionization element. The matrix@MNPs provided 20- to >100-fold enhancement on detection sensitivity of metal ions and unambiguous identification through characteristic isotope patterns and accurate mass (<5 ppm), which may be attributed to its multifunctional role as metal chelator, preconcentrator, absorber, and reservoir of energy. Together with the comparison on the ionization behaviors of various metals having different ionization potentials (IP), we formulated a metal ionization mechanism model, alluding to the role of exciton pooling in matrix@MNP-assisted MALDI-MS. Moreover, the detection of Cu in spiked tap water demonstrated the practicability of this new approach as an efficient and direct alternative tool for fast, sensitive, and accurate determination of trace metal ions in real samples.

Rephasing invariants of the Cabibbo-Kobayashi- Maskawa matrix

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

Pérez R, H.; Kielanowski, P., E-mail: kiel@fis.cinvestav.mx; Juárez W, S. R., E-mail: rebeca@esfm.ipn.mx

2016-03-15

The paper is motivated by the importance of the rephasing invariance of the CKM (Cabibbo-Kobayashi-Maskawa) matrix observables. These observables appear in the discussion of the CP violation in the standard model (Jarlskog invariant) and also in the renormalization group equations for the quark Yukawa couplings. Our discussion is based on the general phase invariant monomials built out of the CKM matrix elements and their conjugates. We show that there exist 30 fundamental phase invariant monomials and 18 of them are a product of 4 CKM matrix elements and 12 are a product of 6 CKM matrix elements. In the mainmore » theorem we show that a general rephasing invariant monomial can be expressed as a product of at most five factors: four of them are fundamental phase invariant monomials and the fifth factor consists of powers of squares of absolute values of the CKM matrix elements. We also show that the imaginary part of any rephasing invariant monomial is proportional to the Jarlskog’s invariant J or is 0.« less

A theoretical study of the dissociative recombination of SH+ with electrons through the 2Π states of SH.

PubMed

Kashinski, D O; Talbi, D; Hickman, A P; Di Nallo, O E; Colboc, F; Chakrabarti, K; Schneider, I F; Mezei, J Zs

2017-05-28

A quantitative theoretical study of the dissociative recombination of SH + with electrons has been carried out. Multireference, configuration interaction calculations were used to determine accurate potential energy curves for SH + and SH. The block diagonalization method was used to disentangle strongly interacting SH valence and Rydberg states and to construct a diabatic Hamiltonian whose diagonal matrix elements provide the diabatic potential energy curves. The off-diagonal elements are related to the electronic valence-Rydberg couplings. Cross sections and rate coefficients for the dissociative recombination reaction were calculated with a stepwise version of the multichannel quantum defect theory, using the molecular data provided by the block diagonalization method. The calculated rates are compared with the most recent measurements performed on the ion Test Storage Ring (TSR) in Heidelberg, Germany.

Three-nucleon force contribution in the distorted-wave theory of (d ,p ) reactions

NASA Astrophysics Data System (ADS)

Timofeyuk, N. K.

2018-05-01

The distorted-wave theory of A (d ,p )B reactions, widely used to analyze experimental data, is based on a Hamiltonian that includes only two-nucleon interactions. However, numerous studies of few-nucleon systems and many modern developments in nuclear structure theory show the importance of the three-nucleon (3 N ) force. The purpose of this paper is to study the contribution of the 3 N force of the simplest possible form to the A (d ,p )B reaction amplitude. This contribution is given by a new term that accounts for the interaction of the neutron and proton in the incoming deuteron with one of the target nucleons. This term involves a new type of nuclear matrix elements containing an infinite number of target excitations in addition to the main part associated with the traditional overlap function between A and B . The nuclear matrix elements are calculated for double-closed shell targets within a mean field theory where target excitations are shown to be equivalent to exchanges between valence and core nucleons. These matrix elements can be readily incorporated into available reaction codes if the 3 N interaction has a spin-independent zero-range form. Distorted-wave calculations are presented for a contact 3 N force with the volume integral fixed by the chiral effective field theory at the next-to-next-to-leading order. For this particular choice, the 3 N contribution is noticeable, especially at high deuteron incident energies. No 3 N effects are seen for incident energies below the Coulomb barrier. The finite range can significantly affect the 3 N contribution to the (d ,p ) cross sections. Finite-range studies require new formal developments and, therefore, their contribution is preliminarily assessed within the plane-wave Born approximation, together with sensitivity to the choice of the deuteron model.

ARC: An open-source library for calculating properties of alkali Rydberg atoms

NASA Astrophysics Data System (ADS)

Šibalić, N.; Pritchard, J. D.; Adams, C. S.; Weatherill, K. J.

2017-11-01

We present an object-oriented Python library for the computation of properties of highly-excited Rydberg states of alkali atoms. These include single-body effects such as dipole matrix elements, excited-state lifetimes (radiative and black-body limited) and Stark maps of atoms in external electric fields, as well as two-atom interaction potentials accounting for dipole and quadrupole coupling effects valid at both long and short range for arbitrary placement of the atomic dipoles. The package is cross-referenced to precise measurements of atomic energy levels and features extensive documentation to facilitate rapid upgrade or expansion by users. This library has direct application in the field of quantum information and quantum optics which exploit the strong Rydberg dipolar interactions for two-qubit gates, robust atom-light interfaces and simulating quantum many-body physics, as well as the field of metrology using Rydberg atoms as precise microwave electrometers. Program Files doi:http://dx.doi.org/10.17632/hm5n8w628c.1 Licensing provisions: BSD-3-Clause Programming language: Python 2.7 or 3.5, with C extension External Routines: NumPy [1], SciPy [1], Matplotlib [2] Nature of problem: Calculating atomic properties of alkali atoms including lifetimes, energies, Stark shifts and dipole-dipole interaction strengths using matrix elements evaluated from radial wavefunctions. Solution method: Numerical integration of radial Schrödinger equation to obtain atomic wavefunctions, which are then used to evaluate dipole matrix elements. Properties are calculated using second order perturbation theory or exact diagonalisation of the interaction Hamiltonian, yielding results valid even at large external fields or small interatomic separation. Restrictions: External electric field fixed to be parallel to quantisation axis. Supplementary material: Detailed documentation (.html), and Jupyter notebook with examples and benchmarking runs (.html and .ipynb). [1] T.E. Oliphant, Comput. Sci. Eng. 9, 10 (2007). http://www.scipy.org/. [2] J.D. Hunter, Comput. Sci. Eng. 9, 90 (2007). http://matplotlib.org/.

Microstructure and mechanical behavior of Zr substrates coated with FeCrAl and Mo by cold-spraying

NASA Astrophysics Data System (ADS)

Park, Dong Jun; Kim, Hyun Gil; Jung, Yang Il; Park, Jung Hwan; Yang, Jae Ho; Koo, Yang Hyun

2018-06-01

FeCrAl and Mo layers were cold-sprayed onto a Zr surface, with the Mo layer introduced between the FeCrAl coating and the Zr matrix preventing high-temperature interdiffusion. Microstructural characterization of the first-deposited Mo layer and the Zr matrix immediately below the Mo/Zr interface was performed using transmission electron microscopy, and near-interface elemental distributions were obtained using energy-dispersive X-ray spectroscopy. The deformation of the coated Mo powder induced the formation of microbands and mechanically interlocked nanoscale structures. The mechanical behavior of Zr with a coating layer was compared with those characteristic of conventional Zr samples. The coated sample showed smaller strength reduction in the test conducted at elevated temperature. The hardness and fracture morphology of the Zr matrix near the interface region were investigated to determine the effect of impacting Mo particles on the matrix microstructure. The enhanced hardness and cleavage fracture morphology of the Zr matrix immediately below the Mo/Zr interface indicated the occurrence of localized deformation owing to Mo particle impact.

Vector meson photoproduction with a linearly polarized beam

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

Mathieu, V.; Nys, J.; Fernendez-Ramirez, C.

Here, we propose a model based on Regge theory to describe photoproduction of light vector mesons. We fit the SLAC data and make predictions for the energy and momentum transfer dependence of the spin-density matrix elements in photoproduction of ω,more » $$\\rho^0$$ and $$\\sigma$$ mesons at Ε γ ~ 8.5 GeV, which are soon to be measured at Jefferson Lab.« less

Vector meson photoproduction with a linearly polarized beam

DOE PAGES

Mathieu, V.; Nys, J.; Fernendez-Ramirez, C.; ...

2018-05-09

Here, we propose a model based on Regge theory to describe photoproduction of light vector mesons. We fit the SLAC data and make predictions for the energy and momentum transfer dependence of the spin-density matrix elements in photoproduction of ω,more » $$\\rho^0$$ and $$\\sigma$$ mesons at Ε γ ~ 8.5 GeV, which are soon to be measured at Jefferson Lab.« less

International Workshop on Light Emission and Electronic Properties of Nanoscale Silicon

DTIC Science & Technology

1994-04-01

matrix elements, quantum confinement, surface effects ? CHARLOTFE STANDARD R. Tsu Comparison of Luminescence Efficiency ROLE OF NANOSCALE Si-DEVICES...confinement effects in microcrystalline silicon [2,3] may lead to revolutionary advances in speed and dramatically reduced energy consumption of silicon...Formation: A Quantum Wire Effect ," Avpl. Phys. Lett., 58, 856 (1991). 5. R. Tsu, H. Shen, and M. Dutta, "Correlation of Raman and Photoluminescence

Combined effect of matrix cracking and stress-free edge on delamination

NASA Technical Reports Server (NTRS)

Salpekar, S. A.; Obrien, T. K.

1990-01-01

The effect of the stress-free edge on the growth of local delaminations initiating from a matrix crack in (0 sub 2/90 sub 4) sub s and (+ or - 45.90 sub 4) sub s glass epoxy laminates is investigated using 3-D finite element analysis. The presence of high interlaminar normal stresses at the intersection (corner) of the matrix crack with the stress-free edge, suggests that a mode I delamination may initiate at the corners. The strain energy release rates (G) were calculated by modeling a uniform through-width delamination and two inclined delaminations at 10.6 deg and 45 deg to the matrix crack. All components of G have high values near the free edges. The mode I component of G is high at small delamination length and becomes zero for a delamination length of one-ply thickness. The total G values near the free edge agreed well with previously derived closed form solution. The quasi-3D solutions agreed well with the 3-D interior solutions.

Combined effect of matrix cracking and stress-free edge on delamination

NASA Technical Reports Server (NTRS)

Salpekar, Satish A.; O'Brien, T. K.

1991-01-01

The effect of the stress-free edge on the growth of local delaminations initiating from a matrix crack in (O sub 2/90 sub 4) sub s and (+/- 45.90 sub 4) sub s glass epoxy laminates is investigated using 3D finite element analysis. The presence of high interlaminar normal stresses at the intersection (corner) of the matrix crack with the stress-free edge, suggests that a mode I delamination may initiate at the corners. The strain energy release rates (G) were calculated by modeling a uniform through-width delamination and two inclined delaminations at 10.6 deg and 45 deg to the matrix crack. All components of G have high values near the free edges. The mode I component of G is high at small delamination length and becomes zero for a delamination length of one-ply thickness. The total G values near the free edge agreed well with previously derived closed form solution. The quasi-3D solutions agreed well with the 3D interior solutions.

Investigations on Mechanical Behaviour of Micro Graphite Particulates Reinforced Al-7Si Alloy Composites

NASA Astrophysics Data System (ADS)

Nagaraj, N.; Mahendra, K. V.; Nagaral, Madeva

2018-02-01

Micro particulates reinforced metal matrix composites are finding wide range of applications in automotive and sports equipment manufacturing industries. In the present study, an attempt has been made to develop Al-7Si-micro graphite particulates reinforced composites by using liquid melt method. 3 and 6 wt. % of micro graphite particulates were added to the Al-7Si base matrix. Microstructural characterization was done by using scanning electron microscope and energy dispersive spectroscope. Mechanical behaviour of Al-7Si-3 and 6 wt. % composites were evaluated as per ASTM standards. Scanning electron micrographs revealed the uniform distribution of micro graphite particulates in the Al-7Si alloy matrix. EDS analysis confirmed the presence of B and C elements in graphite reinforced composites. Further, it was noted that ultimate tensile and yield strength of Al-7Si alloy increased with the addition of 3 and 6wt. % of graphite particulates. Hardness of graphite reinforced composites was lesser than the base matrix.

Coupled spin and electron-phonon interaction at the Tl/Si(111) surface from relativistic first-principles calculations

NASA Astrophysics Data System (ADS)

Garcia-Goiricelaya, Peio; Gurtubay, Idoia G.; Eiguren, Asier

2018-05-01

We investigate the role played by the electron spin and the spin-orbit interaction in the exceptional electron-phonon coupling at the Tl/Si(111) surface. Our first-principles calculations demonstrate that the particular spin pattern of this system dominates the whole low-energy electron-phonon physics, which is remarkably explained by forbidden spin-spin scattering channels. In particular, we show that the strength of the electron-phonon coupling appears drastically weakened for surface states close to the K ¯ and K'¯ valleys, which is unambiguously attributed to the spin polarization through the associated modulation due to the spinor overlaps. However, close to the Γ ¯ point, the particular spin pattern in this area is less effective in damping the electron-phonon matrix elements, and the result is an exceptional strength of the electron-phonon coupling parameter λ ˜1.4 . These results are rationalized by a simple model for the electron-phonon matrix elements including the spinor terms.

Microfossils in Carbonaceous Meteorites

NASA Technical Reports Server (NTRS)

Hoover, Richard B.

2009-01-01

Microfossils of large filamentous trichomic prokaryotes have been detected during in-situ investigations of carbonaceous meteorites. This research has been carried out using the Field Emission Scanning Electron Microscope (FESEM) to examine freshly fractured interior surfaces of the meteorites. The images obtained reveal that many of these remains are embedded in the meteorite rock matrix. Energy Dispersive X-Ray Spectroscopy (EDS) studies establish that the filamentous microstructures have elemental compositions consistent with the meteorite matrix, but are often encased within carbon-rich electron transparent sheath-like structures infilled with magnesium sulfate. This is consistent with the taphonomic modes of fossilization of cyanobacteria and sulphur bacteria, since the life habits and processes of these microorganisms frequently result in distinctive chemical biosignatures associated with the properties of their cell-walls, trichomes, and the extracellular polymeric substances (EPS) of the sheath. In this paper the evidence for biogenicity presented includes detailed morphological and morphometric data consistent with known characteristics of uniseriate and multiseriate cyanobacteria. Evidence for indigeneity includes the embedded nature of the fossils and elemental compositions inconsistent with modern biocontaminants.

Modeling Progressive Failure of Bonded Joints Using a Single Joint Finite Element

NASA Technical Reports Server (NTRS)

Stapleton, Scott E.; Waas, Anthony M.; Bednarcyk, Brett A.

2010-01-01

Enhanced finite elements are elements with an embedded analytical solution which can capture detailed local fields, enabling more efficient, mesh-independent finite element analysis. In the present study, an enhanced finite element is applied to generate a general framework capable of modeling an array of joint types. The joint field equations are derived using the principle of minimum potential energy, and the resulting solutions for the displacement fields are used to generate shape functions and a stiffness matrix for a single joint finite element. This single finite element thus captures the detailed stress and strain fields within the bonded joint, but it can function within a broader structural finite element model. The costs associated with a fine mesh of the joint can thus be avoided while still obtaining a detailed solution for the joint. Additionally, the capability to model non-linear adhesive constitutive behavior has been included within the method, and progressive failure of the adhesive can be modeled by using a strain-based failure criteria and re-sizing the joint as the adhesive fails. Results of the model compare favorably with experimental and finite element results.

Probing the dark sector through mono-Z boson leptonic decays

NASA Astrophysics Data System (ADS)

Yang, Daneng; Li, Qiang

2018-02-01

Collider search for dark matter production has been performed over the years based on high p T standard model signatures balanced by large missing transverse energy. The mono-Z boson production with leptonic decay has a clean signature with the advantage that the decaying electrons and muons can be precisely measured. This signature not only enables reconstruction of the Z boson rest frame, but also makes possible recovery of the underlying production dynamics through the decaying lepton angular distribution. In this work, we exploit full information carried by the leptonic Z boson decays to set limits on coupling strength parameters of the dark sector. We study simplified dark sector models with scalar, vector, and tensor mediators and observe among them different signatures in the distribution of angular coefficients. Specifically, we show that angular coefficients can be used to distinguish different scenarios of the spin-0 and spin-1 models, including the ones with parity-odd and charge conjugation parity-odd operators. To maximize the statistical power, we perform a matrix element method study with a dynamic construction of event likelihood function. We parametrize the test statistic such that sensitivity from the matrix element is quantified through a term measuring the shape difference. Our results show that the shape differences provide significant improvements in the limits, especially for the scalar mediator models. We also present an example application of a matrix-element-kinematic-discriminator, an easier approach that is applicable for experimental data.

Molecular Structure and Free Energy Landscape for Electron Transport in the Deca-Heme Cytochrome MtrF

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

Breuer, Marian; Zarzycki, Piotr P.; Shi, Liang

2012-12-01

The free energy profile for electron flow through the bacterial deca-heme cytochrome MtrF has been computed using thermodynamic integration and classical molecular dynamics. The extensive calculations on two versions of the structure help validate the method and results, because differences in the profiles can be related to differences in the charged amino acids local to specific heme groups. First estimates of reorganization free energies λ yield a range consistent with expectations for partially solvent exposed cofactors, and reveal an activation energy range surmountable for electron flow. Future work will aim at increasing the accuracy of λ with polarizable force fieldmore » dynamics and quantum chemical energy gap calculations, as well as quantum chemical computation of electronic coupling matrix elements.« less

An Adynamical, Graphical Approach to Quantum Gravity and Unification

NASA Astrophysics Data System (ADS)

Stuckey, W. M.; Silberstein, Michael; McDevitt, Timothy

We use graphical field gradients in an adynamical, background independent fashion to propose a new approach to quantum gravity (QG) and unification. Our proposed reconciliation of general relativity (GR) and quantum field theory (QFT) is based on a modification of their graphical instantiations, i.e. Regge calculus and lattice gauge theory (LGT), respectively, which we assume are fundamental to their continuum counterparts. Accordingly, the fundamental structure is a graphical amalgam of space, time, and sources (in parlance of QFT) called a "space-time source element". These are fundamental elements of space, time, and sources, not source elements in space and time. The transition amplitude for a space-time source element is computed using a path integral with discrete graphical action. The action for a space-time source element is constructed from a difference matrix K and source vector J on the graph, as in lattice gauge theory. K is constructed from graphical field gradients so that it contains a non-trivial null space and J is then restricted to the row space of K, so that it is divergence-free and represents a conserved exchange of energy-momentum. This construct of K and J represents an adynamical global constraint (AGC) between sources, the space-time metric, and the energy-momentum content of the element, rather than a dynamical law for time-evolved entities. In this view, one manifestation of quantum gravity becomes evident when, for example, a single space-time source element spans adjoining simplices of the Regge calculus graph. Thus, energy conservation for the space-time source element includes contributions to the deficit angles between simplices. This idea is used to correct proper distance in the Einstein-de Sitter (EdS) cosmology model yielding a fit of the Union2 Compilation supernova data that matches ΛCDM without having to invoke accelerating expansion or dark energy. A similar modification to LGT results in an adynamical account of quantum interference.

Improved Damage Resistant Composite Materials Incorporating Shape Memory Alloys

NASA Technical Reports Server (NTRS)

Paine, Jeffrey S. N.; Rogers, Craig A.

1996-01-01

Metallic shape memory alloys (SMA) such as nitinol have unique shape recovery behavior and mechanical properties associated with a material phase change that have been used in a variety of sensing and actuation applications. Recent studies have shown that integrating nitinol-SMA actuators into composite materials increases the composite material's functionality. Hybrid composites of conventional graphite/epoxy or glass/epoxy and nitinol-SMA elements can perform functions in applications where monolithic composites perform inadequately. One such application is the use of hybrid composites to function both in load bearing and armor capacities. While monolithic composites with high strength-to-weight ratios function efficiently as loadbearing structures, because of their brittle nature, impact loading can cause significant catastrophic damage. Initial composite failure modes such as delamination and matrix cracking dissipate some impact energy, but when stress exceeds the composite's ultimate strength, fiber fracture and material perforation become dominant. One of the few methods that has been developed to reduce material perforation is hybridizing polymer matrix composites with tough kevlar or high modulus polyethynylene plies. The tough fibers increase the impact resistance and the stiffer and stronger graphite fibers carry the majority of the load. Similarly, by adding nitinol-SMA elements that absorb impact energy through the stress-induced martensitic phase transformation, the composites' impact perforation resistance can be greatly enhanced. The results of drop-weight and high velocity gas-gun impact testing of various composite materials will be presented. The results demonstrate that hybridizing composites with nitinol-SMA elements significantly increases perforation resistance compared to other traditional toughening elements. Inspection of the composite specimens at various stages of perforation by optical microscope illustrates the mechanisms by which perforation is initiated. Results suggest that the out-of-plane transverse shear properties of the composite and nitinol elements have a significant effect on the perforation resistance. Applications that can utilize the hybrid composites effectively will also be presented with the experimental studies.

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

NASA Astrophysics Data System (ADS)

Wang, Xiao-Gang; Carrington, Tucker

2018-02-01

We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer.

PubMed

Wang, Xiao-Gang; Carrington, Tucker

2018-02-21

We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

Structure of the Odd-Odd Nucleus {sup 188}Re

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

Balodis, M.; Berzins, J.; Simonova, L.

2009-01-28

Thermal neutron capture gamma-ray spectra for {sup 187}Re(n,{gamma}){sup 188}Re reaction were measured. Singles and coincidence spectra were detected in order to develop the level scheme. The evaluation is in progress, of which the first results are obtained from the analysis of coincidence spectra, allowing to check the level scheme below 500 keV excitation energy. Seven low-energy negative parity bands are developed in order to find better energies for rotational levels. With a good confidence, a few positive parity bands are developed as well. Rotor plus two quasiparticle model calculations, employing effective matrix element method are performed for the system ofmore » six negative parity rotational bands.« less

Eigenvalue computations with the QUAD4 consistent-mass matrix

NASA Technical Reports Server (NTRS)

Butler, Thomas A.

1990-01-01

The NASTRAN user has the option of using either a lumped-mass matrix or a consistent- (coupled-) mass matrix with the QUAD4 shell finite element. At the Sixteenth NASTRAN Users' Colloquium (1988), Melvyn Marcus and associates of the David Taylor Research Center summarized a study comparing the results of the QUAD4 element with results of other NASTRAN shell elements for a cylindrical-shell modal analysis. Results of this study, in which both the lumped-and consistent-mass matrix formulations were used, implied that the consistent-mass matrix yielded poor results. In an effort to further evaluate the consistent-mass matrix, a study was performed using both a cylindrical-shell geometry and a flat-plate geometry. Modal parameters were extracted for several modes for both geometries leading to some significant conclusions. First, there do not appear to be any fundamental errors associated with the consistent-mass matrix. However, its accuracy is quite different for the two different geometries studied. The consistent-mass matrix yields better results for the flat-plate geometry and the lumped-mass matrix seems to be the better choice for cylindrical-shell geometries.

Role of the Euclidean signature in lattice calculations of quasidistributions and other nonlocal matrix elements

NASA Astrophysics Data System (ADS)

Briceño, Raúl A.; Hansen, Maxwell T.; Monahan, Christopher J.

2017-07-01

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate that the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Finally we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.

Role of the Euclidean signature in lattice calculations of quasidistributions and other nonlocal matrix elements

DOE PAGES

Briceno, Raul A.; Hansen, Maxwell T.; Monahan, Christopher J.

2017-07-11

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate thatmore » the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Lastly, we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.« less

Computing Fiber/Matrix Interfacial Effects In SiC/RBSN

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Hopkins, Dale A.

1996-01-01

Computational study conducted to demonstrate use of boundary-element method in analyzing effects of fiber/matrix interface on elastic and thermal behaviors of representative laminated composite materials. In study, boundary-element method implemented by Boundary Element Solution Technology - Composite Modeling System (BEST-CMS) computer program.

Delamination growth analysis in quasi-isotropic laminates under loads simulating low-velocity impact

NASA Technical Reports Server (NTRS)

Shivakumar, K. N.; Elber, W.

1984-01-01

A geometrically nonlinear finite-element analysis was developed to calculate the strain energy released by delamination plates during impact loading. Only the first mode of deformation, which is equivalent to static deflection, was treated. Both the impact loading and delamination in the plate were assumed to be axisymmetric. The strain energy release rate in peeling, G sub I, and shear sliding, G sub II, modes were calculated using the fracture mechanics crack closure technique. Energy release rates for various delamination sizes and locations and for various plate configurations and materials were compared. The analysis indicated that shear sliding (G sub II) was the primary mode of delamination growth. The analysis also indicated that the midplane (maximum transverse shear stress plane) delamination was more critical and would grow before any other delamination of the same size near the midplane region. The delamination growth rate was higher (neutrally stable) for a low toughness (brittle) matrix and slower (stable) for high toughness matrix. The energy release rate in the peeling mode, G sub I, for a near-surface delamination can be as high as 0.5G sub II and can contribute significantly to the delamination growth.

Vacuum brazing of high volume fraction SiC particles reinforced aluminum matrix composites

NASA Astrophysics Data System (ADS)

Cheng, Dongfeng; Niu, Jitai; Gao, Zeng; Wang, Peng

2015-03-01

This experiment chooses A356 aluminum matrix composites containing 55% SiC particle reinforcing phase as the parent metal and Al-Si-Cu-Zn-Ni alloy metal as the filler metal. The brazing process is carried out in vacuum brazing furnace at the temperature of 550°C and 560°C for 3 min, respectively. The interfacial microstructures and fracture surfaces are investigated by scanning electron microscopy (SEM), transmission electron microscopy (TEM) and energy spectrum analysis (EDS). The result shows that adequacy of element diffusion are superior when brazing at 560°C, because of higher activity and liquidity. Dislocations and twins are observed at the interface between filler and composite due to the different expansion coefficient of the aluminum alloy matrix and SiC particles. The fracture analysis shows that the brittle fracture mainly located at interface of filler and composites.

Uncertainties in nuclear transition matrix elements for neutrinoless {beta}{beta} decay

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

Rath, P. K.

Uncertainties in nuclear transition matrix elements M{sup (0{nu})} and M{sub N}{sup (0{nu})} due to the exchange of light and heavy Majorana neutrinos, respectively have been estimated by calculating sets of twelve nuclear transition matrix elements for the neutrinoless {beta}{beta} decay of {sup 94,96}Zr, {sup 98,100}Mo, {sup 104}Ru, {sup 110}Pd, {sup 128,130}Te and {sup 150}Nd isotopes in the case of 0{sup +}{yields}0{sup +} transition by considering four different parameterizations of a Hamiltonian with pairing plus multipolar effective two-body interaction and three different parameterizations of Jastrow short range correlations. Exclusion of nuclear transition matrix elements calculated with the Miller-Spencer parametrization reduces themore » uncertainties by 10%-15%.« less

Minimal parameter solution of the orthogonal matrix differential equation

NASA Technical Reports Server (NTRS)

Bar-Itzhack, Itzhack Y.; Markley, F. Landis

1990-01-01

As demonstrated in this work, all orthogonal matrices solve a first order differential equation. The straightforward solution of this equation requires n sup 2 integrations to obtain the element of the nth order matrix. There are, however, only n(n-1)/2 independent parameters which determine an orthogonal matrix. The questions of choosing them, finding their differential equation and expressing the orthogonal matrix in terms of these parameters are considered. Several possibilities which are based on attitude determination in three dimensions are examined. It is shown that not all 3-D methods have useful extensions to higher dimensions. It is also shown why the rate of change of the matrix elements, which are the elements of the angular rate vector in 3-D, are the elements of a tensor of the second rank (dyadic) in spaces other than three dimensional. It is proven that the 3-D Gibbs vector (or Cayley Parameters) are extendable to other dimensions. An algorithm is developed emplying the resulting parameters, which are termed Extended Rodrigues Parameters, and numerical results are presented of the application of the algorithm to a fourth order matrix.

Minimal parameter solution of the orthogonal matrix differential equation

NASA Technical Reports Server (NTRS)

Baritzhack, Itzhack Y.; Markley, F. Landis

1988-01-01

As demonstrated in this work, all orthogonal matrices solve a first order differential equation. The straightforward solution of this equation requires n sup 2 integrations to obtain the element of the nth order matrix. There are, however, only n(n-1)/2 independent parameters which determine an orthogonal matrix. The questions of choosing them, finding their differential equation and expressing the orthogonal matrix in terms of these parameters are considered. Several possibilities which are based on attitude determination in three dimensions are examined. It is shown that not all 3-D methods have useful extensions to higher dimensions. It is also shown why the rate of change of the matrix elements, which are the elements of the angular rate vector in 3-D, are the elements of a tensor of the second rank (dyadic) in spaces other than three dimensional. It is proven that the 3-D Gibbs vector (or Cayley Parameters) are extendable to other dimensions. An algorithm is developed employing the resulting parameters, which are termed Extended Rodrigues Parameters, and numerical results are presented of the application of the algorithm to a fourth order matrix.

Systems and methods for deactivating a matrix converter

DOEpatents

Ransom, Ray M.

2013-04-02

Systems and methods are provided for deactivating a matrix conversion module. An electrical system comprises an alternating current (AC) interface, a matrix conversion module coupled to the AC interface, an inductive element coupled between the AC interface and the matrix conversion module, and a control module. The control module is coupled to the matrix conversion module, and in response to a shutdown condition, the control module is configured to operate the matrix conversion module to deactivate the first conversion module when a magnitude of a current through the inductive element is less than a threshold value.

Contact solution algorithms

NASA Technical Reports Server (NTRS)

Tielking, John T.

1989-01-01

Two algorithms for obtaining static contact solutions are described in this presentation. Although they were derived for contact problems involving specific structures (a tire and a solid rubber cylinder), they are sufficiently general to be applied to other shell-of-revolution and solid-body contact problems. The shell-of-revolution contact algorithm is a method of obtaining a point load influence coefficient matrix for the portion of shell surface that is expected to carry a contact load. If the shell is sufficiently linear with respect to contact loading, a single influence coefficient matrix can be used to obtain a good approximation of the contact pressure distribution. Otherwise, the matrix will be updated to reflect nonlinear load-deflection behavior. The solid-body contact algorithm utilizes a Lagrange multiplier to include the contact constraint in a potential energy functional. The solution is found by applying the principle of minimum potential energy. The Lagrange multiplier is identified as the contact load resultant for a specific deflection. At present, only frictionless contact solutions have been obtained with these algorithms. A sliding tread element has been developed to calculate friction shear force in the contact region of the rolling shell-of-revolution tire model.

Digital Equivalent Data System for XRF Labeling of Objects

NASA Technical Reports Server (NTRS)

Schramm, Harry F.; Kaiser, Bruce

2005-01-01

A digital equivalent data system (DEDS) is a system for identifying objects by means of the x-ray fluorescence (XRF) spectra of labeling elements that are encased in or deposited on the objects. As such, a DEDS is a revolutionary new major subsystem of an XRF system. A DEDS embodies the means for converting the spectral data output of an XRF scanner to an ASCII alphanumeric or barcode label that can be used to identify (or verify the assumed or apparent identity of) an XRF-scanned object. A typical XRF spectrum of interest contains peaks at photon energies associated with specific elements on the Periodic Table (see figure). The height of each spectral peak above the local background spectral intensity is proportional to the relative abundance of the corresponding element. Alphanumeric values are assigned to the relative abundances of the elements. Hence, if an object contained labeling elements in suitably chosen proportions, an alphanumeric representation of the object could be extracted from its XRF spectrum. The mixture of labeling elements and for reading the XRF spectrum would be compatible with one of the labeling conventions now used for bar codes and binary matrix patterns (essentially, two-dimensional bar codes that resemble checkerboards). A further benefit of such compatibility is that it would enable the conversion of the XRF spectral output to a bar or matrix-coded label, if needed. In short, a process previously used only for material composition analysis has been reapplied to the world of identification. This new level of verification is now being used for "authentication."

Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation

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

Thallmair, Sebastian; Lehrstuhl für BioMolekulare Optik, Ludwig-Maximilians-Universität München, D-80538 München; Roos, Matthias K.

Quantum dynamics simulations require prior knowledge of the potential energy surface as well as the kinetic energy operator. Typically, they are evaluated in a low-dimensional subspace of the full configuration space of the molecule as its dimensionality increases proportional to the number of atoms. This entails the challenge to find the most suitable subspace. We present an approach to design specially adapted reactive coordinates spanning this subspace. In addition to the essential geometric changes, these coordinates take into account the relaxation of the non-reactive coordinates without the necessity of performing geometry optimizations at each grid point. The method is demonstratedmore » for an ultrafast photoinduced bond cleavage in a commonly used organic precursor for the generation of electrophiles. The potential energy surfaces for the reaction as well as the Wilson G-matrix as part of the kinetic energy operator are shown for a complex chemical reaction, both including the relaxation of the non-reactive coordinates on equal footing. A microscopic interpretation of the shape of the G-matrix elements allows to analyze the impact of the non-reactive coordinates on the kinetic energy operator. Additionally, we compare quantum dynamics simulations with and without the relaxation of the non-reactive coordinates included in the kinetic energy operator to demonstrate its influence.« less

Photoelectron Pumped Phosphors,

DTIC Science & Technology

1989-07-01

result of SEE, if the screen is made from a dielectric or a semi- conductor with a high resistivity . The CL brightness depends on the energy of the...1. The rare-earth ion activated high resistance phos- phors based on the materials with garnet, spinel and diamond structure can be considered as the...most prospective CL materials, especially in the compounds that include the rare-earth elements in their host matrix. 2. The low resistance CL oxides

Axial-Current Matrix Elements in Light Nuclei from Lattice QCD

NASA Astrophysics Data System (ADS)

Savage, M.; Beane, S.; Chang, E.; Davoudi, Z.; Detmold, W.; Orginos, K.; Shanahan, P.; Tiburzi, B.; Wagman, M.; Winter, F.; Nplqcd Collaboration

I present results from the first lattice QCD calculations of axial-current matrix elements in light nuclei, performed by the NPLQCD collaboration. Precision calculations of these matrix elements, and the subsequent extraction of multi-nucleon axial-current operators, are essential in refining theoretical predictions of the proton-proton fusion cross section, neutrino-nucleus cross sections and $\\beta\\beta$-decay rates of nuclei. In addition, they are expected to shed light on the phenomenological quenching of $g_A$ that is required in nuclear many-body calculations.

Second level semi-degenerate fields in W_3 Toda theory: matrix element and differential equation

NASA Astrophysics Data System (ADS)

Belavin, Vladimir; Cao, Xiangyu; Estienne, Benoit; Santachiara, Raoul

2017-03-01

In a recent study we considered W_3 Toda 4-point functions that involve matrix elements of a primary field with the highest-weight in the adjoint representation of sl_3 . We generalize this result by considering a semi-degenerate primary field, which has one null vector at level two. We obtain a sixth-order Fuchsian differential equation for the conformal blocks. We discuss the presence of multiplicities, the matrix elements and the fusion rules.

Simulation on reactor TRIGA Puspati core kinetics fueled with thorium (Th) based fuel element

NASA Astrophysics Data System (ADS)

Mohammed, Abdul Aziz; Pauzi, Anas Muhamad; Rahman, Shaik Mohmmed Haikhal Abdul; Zin, Muhamad Rawi Muhammad; Jamro, Rafhayudi; Idris, Faridah Mohamad

2016-01-01

In confronting global energy requirement and the search for better technologies, there is a real case for widening the range of potential variations in the design of nuclear power plants. Smaller and simpler reactors are attractive, provided they can meet safety and security standards and non-proliferation issues. On fuel cycle aspect, thorium fuel cycles produce much less plutonium and other radioactive transuranic elements than uranium fuel cycles. Although not fissile itself, Th-232 will absorb slow neutrons to produce uranium-233 (233U), which is fissile. By introducing Thorium, the numbers of highly enriched uranium fuel element can be reduced while maintaining the core neutronic performance. This paper describes the core kinetic of a small research reactor core like TRIGA fueled with a Th filled fuel element matrix using a general purpose Monte Carlo N-Particle (MCNP) code.

Simulation on reactor TRIGA Puspati core kinetics fueled with thorium (Th) based fuel element

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

Mohammed, Abdul Aziz, E-mail: azizM@uniten.edu.my; Rahman, Shaik Mohmmed Haikhal Abdul; Pauzi, Anas Muhamad, E-mail: anas@uniten.edu.my

2016-01-22

In confronting global energy requirement and the search for better technologies, there is a real case for widening the range of potential variations in the design of nuclear power plants. Smaller and simpler reactors are attractive, provided they can meet safety and security standards and non-proliferation issues. On fuel cycle aspect, thorium fuel cycles produce much less plutonium and other radioactive transuranic elements than uranium fuel cycles. Although not fissile itself, Th-232 will absorb slow neutrons to produce uranium-233 ({sup 233}U), which is fissile. By introducing Thorium, the numbers of highly enriched uranium fuel element can be reduced while maintainingmore » the core neutronic performance. This paper describes the core kinetic of a small research reactor core like TRIGA fueled with a Th filled fuel element matrix using a general purpose Monte Carlo N-Particle (MCNP) code.« less

Micromechanical predictions of crack propagation and fracture energy in a single fiber boron/aluminum model composite

NASA Technical Reports Server (NTRS)

Adams, D. F.; Mahishi, J. M.

1982-01-01

The axisymmetric finite element model and associated computer program developed for the analysis of crack propagation in a composite consisting of a single broken fiber in an annular sheath of matrix material was extended to include a constant displacement boundary condition during an increment of crack propagation. The constant displacement condition permits the growth of a stable crack, as opposed to the catastropic failure in an earlier version. The finite element model was refined to respond more accurately to the high stresses and steep stress gradients near the broken fiber end. The accuracy and effectiveness of the conventional constant strain axisymmetric element for crack problems was established by solving the classical problem of a penny-shaped crack in a thick cylindrical rod under axial tension. The stress intensity factors predicted by the present finite element model are compared with existing continuum results.

Depth Profiles of Mg, Si, and Zn Implants in GaN by Trace Element Accelerator Mass Spectrometry

NASA Astrophysics Data System (ADS)

Ravi Prasad, G. V.; Pelicon, P.; Mitchell, L. J.; McDaniel, F. D.

2003-08-01

GaN is one of the most promising electronic materials for applications requiring high-power, high frequencies, or high-temperatures as well as opto-electronics in the blue to ultraviolet spectral region. We have recently measured depth profiles of Mg, Si, and Zn implants in GaN substrates by the TEAMS particle counting method for both matrix and trace elements, using a gas ionization chamber. Trace Element Accelerator Mass Spectrometry (TEAMS) is a combination of Secondary Ion Mass Spectrometry (SIMS) and Accelerator Mass Spectrometry (AMS) to measure trace elements at ppb levels. Negative ions from a SIMS like source are injected into a tandem accelerator. Molecular interferences inherent with the SIMS method are eliminated in the TEAMS method. Negative ion currents are extremely low with GaN as neither gallium nor nitrogen readily forms negative ions making the depth profile measurements more difficult. The energies of the measured ions are in the range of 4-8 MeV. A careful selection of mass/charge ratios of the detected ions combined with energy-loss behavior of the ions in the ionization chamber eliminated molecular interferences.

Energy Finite Element Analysis Developments for Vibration Analysis of Composite Aircraft Structures

NASA Technical Reports Server (NTRS)

Vlahopoulos, Nickolas; Schiller, Noah H.

2011-01-01

The Energy Finite Element Analysis (EFEA) has been utilized successfully for modeling complex structural-acoustic systems with isotropic structural material properties. In this paper, a formulation for modeling structures made out of composite materials is presented. An approach based on spectral finite element analysis is utilized first for developing the equivalent material properties for the composite material. These equivalent properties are employed in the EFEA governing differential equations for representing the composite materials and deriving the element level matrices. The power transmission characteristics at connections between members made out of non-isotropic composite material are considered for deriving suitable power transmission coefficients at junctions of interconnected members. These coefficients are utilized for computing the joint matrix that is needed to assemble the global system of EFEA equations. The global system of EFEA equations is solved numerically and the vibration levels within the entire system can be computed. The new EFEA formulation for modeling composite laminate structures is validated through comparison to test data collected from a representative composite aircraft fuselage that is made out of a composite outer shell and composite frames and stiffeners. NASA Langley constructed the composite cylinder and conducted the test measurements utilized in this work.

Production and Characterization of WC-Reinforced Co-Based Superalloy Matrix Composites

NASA Astrophysics Data System (ADS)

Özgün, Özgür; Dinler, İlyas

2018-05-01

Cobalt-based superalloy matrix composite materials were produced through the powder metallurgy technique using element powders at high purity and nano-sized wolfram carbide (WC) reinforcement in this study. An alloy that had the same chemical composition as the Stellite 6 alloy but not containing carbon was selected as the matrix alloy. The powder mixtures obtained as a result of mixing WC reinforcing member and element powders at the determined ratio were shaped by applying 300 MPa of pressure. The green components were sintered under argon atmosphere at 1240 °C for 120 minutes. The densities of the sintered components were determined by the Archimedes' principle. Microstructural characterization was performed via X-ray diffraction analysis, scanning electron microscope examinations, and energy-dispersive spectrometry. Hardness measurements and tensile tests were performed for determining mechanical characteristics. The relative density values of the sintered components increased by increasing the WC reinforcement ratio and they could almost reach the theoretical density. It was determined from the microstructural examinations that the composite materials consisted of fine and equiaxed grains and coarse carbides demonstrating a homogeneous dispersion along the microstructure at the grain boundaries. As it was the case in the density values, the hardness and strength values of the composites increased by increasing the WC ratio.

Equal channel angular pressing of powder processed Al6061/SiC nano metal matrix composites and study of its wear properties

NASA Astrophysics Data System (ADS)

Bongale, Arunkumar M.; Kumar, Satish

2018-03-01

Nano Metal Matrix Composites were fabricated by a novel approach by combining powder metallurgy and equal channel angular pressing (ECAP) using aluminium alloy 6061 (Al6061) as matrix phase and 2, 4 and 6 wt% of silicon carbide nanoparticles (SiCnp) as reinforcements. Alloying elements of Al6061 in their elemental form are blended together using high energy planetary ball mill and calculated wt% of SiCnp were mixed with it. Thus formed composite powder mixture is compacted in a uniaxial compaction die and then subjected to ECAP up to three passes. Density and porosity of samples were estimated using Archimedes’ principle. Pin on disc setup is used to evaluate the wear properties of the composites under different speed and loading conditions. Tests revealed that increase in wt% of SiCnp reduces the wear rate of the composites whereas increasing the load and speed increases wear rate of the composite samples. SEM micrographs of worn surfaces indicated different types of wear mechanism responsible for wear of the specimens under different testing conditions. Also, wt% of SiCnp and the number of passes through ECAP were found to increase the hardness value of the composite material.

Production and Characterization of WC-Reinforced Co-Based Superalloy Matrix Composites

NASA Astrophysics Data System (ADS)

Özgün, Özgür; Dinler, İlyas

2018-07-01

Cobalt-based superalloy matrix composite materials were produced through the powder metallurgy technique using element powders at high purity and nano-sized wolfram carbide (WC) reinforcement in this study. An alloy that had the same chemical composition as the Stellite 6 alloy but not containing carbon was selected as the matrix alloy. The powder mixtures obtained as a result of mixing WC reinforcing member and element powders at the determined ratio were shaped by applying 300 MPa of pressure. The green components were sintered under argon atmosphere at 1240 °C for 120 minutes. The densities of the sintered components were determined by the Archimedes' principle. Microstructural characterization was performed via X-ray diffraction analysis, scanning electron microscope examinations, and energy-dispersive spectrometry. Hardness measurements and tensile tests were performed for determining mechanical characteristics. The relative density values of the sintered components increased by increasing the WC reinforcement ratio and they could almost reach the theoretical density. It was determined from the microstructural examinations that the composite materials consisted of fine and equiaxed grains and coarse carbides demonstrating a homogeneous dispersion along the microstructure at the grain boundaries. As it was the case in the density values, the hardness and strength values of the composites increased by increasing the WC ratio.

The influence of hair bleach on the ultrastructure of human hair with special reference to hair damage.

PubMed

Imai, Takehito

2011-05-01

The influence of human hair bleaching agents with different bleaching strength on the ultrastructure of human hair was studied using a transmission electron microscope (TEM) and an energy dispersive X-ray spectrometer equipped with TEM (EDS-TEM). Two kinds of bleaching agents were used: a lightener agent with a weak bleaching effect and a powder-bleach with a stronger bleaching effect. From the comparison of the bleaching properties obtained by the electronic staining of black and white hair samples, it was suggested that the permeability of hair was increased by bleaching, and there was an increase of the stainability of hair subjected to electronic staining. The bleaching action provoked the decomposition of melanin granules and the flow out of granular contents into the intermacrofibrillar matrix. Some metal elements were detected in the melanin granular matrix by EDS-TEM. As a result, the diffusion of metal elements into the intermacrofibrillar matrix promoted further damage to the hair by catalytic action with the hydrogen peroxide in the bleaching agents outside the melanin granules. Further study will lead us to the edge of the development of a new bleaching agent, which reacts only with melanin granules and causes the minimum of damage to outside the melanin granules.

Experimental and numerical analysis of the constitutive equation of rubber composites reinforced with random ceramic particle

NASA Astrophysics Data System (ADS)

Luo, D. M.; Xie, Y.; Su, X. R.; Zhou, Y. L.

2018-01-01

Based on the four classical models of Mooney-Rivlin (M-R), Yeoh, Ogden and Neo-Hookean (N-H) model, a strain energy constitutive equation with large deformation for rubber composites reinforced with random ceramic particles is proposed from the angle of continuum mechanics theory in this paper. By decoupling the interaction between matrix and random particles, the strain energy of each phase is obtained to derive the explicit constitutive equation for rubber composites. The tests results of uni-axial tensile, pure shear and equal bi-axial tensile are simulated by the non-linear finite element method on the ANSYS platform. The results from finite element method are compared with those from experiment, and the material parameters are determined by fitting the results from different test conditions, and the influence of radius of random ceramic particles on the effective mechanical properties are analyzed.

Crack Development in Cross-Ply Laminates Under Uniaxial Tension

NASA Technical Reports Server (NTRS)

Gyekenyesi, Andrew L.

1996-01-01

This study addresses matrix-dominated failures in carbon fiber/polymer matrix composite laminates in a cross-ply lay-up. The events of interest are interlaminar fracture in the form of transverse cracks in the 90' plies and longitudinal splitting in the 0 deg plies and interlaminar fracture in the form of 0/90 delamination. These events were observed using various nondestructive evaluation (NDE) techniques during static tensile tests. Acoustic emission (AE) x radiography, and edge view microscopy were the principal ones utilized in a real-time environment. A comparison of the NDE results with an analytical model based on the classical linear fracture mechanics concept of strain energy release rate as a criterion for crack growth was performed. The virtual crack closure theory was incorporated with a finite element model to generate strain energy release rate curves for the analytical case. Celion carbon fiber/polyimide matrix (G30-500/PMR-15) was the material tested with cross-ply lay-ups of (0(2)/90(6))s and (0(4)/90(4))s. The test specimens contained thermally induced cracks caused by the high-temperature processing. The analytical model was updated to compensate for the initial damage and to study further accumulation by taking into account the crack interactions. By correlating the experimental and analytical data, the critical energy release rates were found for the observable events of interest.

Carbide and nitride precipitation during laser cladding of Inconel 718 alloy coatings

NASA Astrophysics Data System (ADS)

Zhang, Yaocheng; Li, Zhuguo; Nie, Pulin; Wu, Yixiong

2013-11-01

The microstructure of the laser clad Inconel 718 alloy coating was observed by scanning electron microscope (SEM). The chemical composition of precipitation phases was investigated by energy dispersive spectrometer (EDS) and solid phase microextraction (SPME). The crystal structure and lattice constants of precipitation are determined by transmission electron microscope (TEM). Vickers hardness of the coatings and the nanohardness of the interstitial phases were measured. The insular carbide (MC) and the tetragonal nitride (MN) with face-centered cubic (FCC) structure are rich in Ti and Nb but depleted in Ni, Fe and Cr due to the interdiffusion and redistribution of alloying elements between MC and MN and supersaturated matrix. MC and MN were precipitated in the forms of (Nb0.12Ti0.88)C1.5 and (Nb0.88Ti0.12)N1.5, and the Gibbs free energies of formation can be expressed as Δ G [ (Nb0.12Ti0.88)C1.5 ] 0 = - 122.654 - 3.1332 T (kJ /mol) and Δ G [ (Nb0.88Ti0.12)N1.5 ] 0 = - 157.814 - 3.0251 T (kJ /mol). The nanohardness and Young's modulus of the MC and MN were much higher than the matrix, and the plastic deformation energy of interstitial phases was lower than the matrix. The precipitation of MC and MN is beneficial to the mechanical properties of coating.

Towards the development of new phosphors with reduced content of rare earth elements: Structural and optical characterization of Ce:Tb: Al{sub 2}SiO{sub 5}

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

Chiriu, D.; Stagi, L.; Carbonaro, C.M.

2016-05-15

Highlights: • A new promising inert matrix as host of luminescent ions is proposed. • Al2SiO5 matrix is free from Rare earths (critical raw materials). • Doping the matrix with Ce and Tb we obtain an efficient green emitter. • Cerium acts as sensitizer for Terbium emission. - Abstract: A new promising inert matrix as host of luminescent ions is proposed. Al2SiO5 samples, doped with rare earths (Ce, Tb single doped and co-doped) are proposed as good prospect for the development of new UV–vis converter with reduced content of rare earths elements. Structural characterization by Raman, XRD spectroscopy and TEMmore » imaging reveals the sillimanite phase and nano sized dimension of the investigated powders. Optical characterization by steady time and time resolved emission spectroscopy for the single doped and co-doped samples allows to identify an efficient energy transfer from Ce to Tb ions under near UV excitation wavelength. The intense green emission observed in the Ce:Tb co-doped Al2SiO5 system suggests its potential application as efficient blue pumped green emitter phosphor to be exploited for white LED: to this purpose we tested the compound in combination with a red emitting doping ion recording for Ce:Tb:Cr:ASO system a correlated color temperature of 6720 K.« less

Simulation of sparse matrix array designs

NASA Astrophysics Data System (ADS)

Boehm, Rainer; Heckel, Thomas

2018-04-01

Matrix phased array probes are becoming more prominently used in industrial applications. The main drawbacks, using probes incorporating a very large number of transducer elements, are needed for an appropriate cabling and an ultrasonic device offering many parallel channels. Matrix arrays designed for extended functionality feature at least 64 or more elements. Typical arrangements are square matrices, e.g., 8 by 8 or 11 by 11 or rectangular matrixes, e.g., 8 by 16 or 10 by 12 to fit a 128-channel phased array system. In some phased array systems, the number of simultaneous active elements is limited to a certain number, e.g., 32 or 64. Those setups do not allow running the probe with all elements active, which may cause a significant change in the directivity pattern of the resulting sound beam. When only a subset of elements can be used during a single acquisition, different strategies may be applied to collect enough data for rebuilding the missing information from the echo signal. Omission of certain elements may be one approach, overlay of subsequent shots with different active areas may be another one. This paper presents the influence of a decreased number of active elements on the sound field and their distribution on the array. Solutions using subsets with different element activity patterns on matrix arrays and their advantages and disadvantages concerning the sound field are evaluated using semi-analytical simulation tools. Sound field criteria are discussed, which are significant for non-destructive testing results and for the system setup.

Energy minibands degeneration induced by magnetic field effects in graphene superlattices

NASA Astrophysics Data System (ADS)

Reyes-Villagrana, R. A.; Carrera-Escobedo, V. H.; Suárez-López, J. R.; Madrigal-Melchor, J.; Rodríguez-Vargas, I.

2017-12-01

Energy minibands are a basic feature of practically any superlattice. In this regard graphene superlattices are not the exception and recently miniband transport has been reported through magneto-transport measurements. In this work, we compute the energy miniband and transport characteristics for graphene superlattices in which the energy barriers are generated by magnetic and electric fields. The transfer matrix approach and the Landauer-Büttiker formalism have been implemented to calculate the energy minibands and the linear-regime conductance. We find that energy minibands are very sensitive to the magnetic field and become degenerate by rising it. We were also able to correlate the evolution of the energy minibands as a function of the magnetic field with the transport characteristics, finding that miniband transport can be destroyed by magnetic field effects. Here, it is important to remark that although magnetic field effects have been a key element to unveil miniband transport, they can also destroy it.

Multiconfiguration Molecular Mechanics Based on Combined Quantum Mechanical and Molecular Mechanical Calculations.

PubMed

Lin, Hai; Zhao, Yan; Tishchenko, Oksana; Truhlar, Donald G

2006-09-01

The multiconfiguration molecular mechanics (MCMM) method is a general algorithm for generating potential energy surfaces for chemical reactions by fitting high-level electronic structure data with the help of molecular mechanical (MM) potentials. It was previously developed as an extension of standard MM to reactive systems by inclusion of multidimensional resonance interactions between MM configurations corresponding to specific valence bonding patterns, with the resonance matrix element obtained from quantum mechanical (QM) electronic structure calculations. In particular, the resonance matrix element is obtained by multidimensional interpolation employing a finite number of geometries at which electronic-structure calculations of the energy, gradient, and Hessian are carried out. In this paper, we present a strategy for combining MCMM with hybrid quantum mechanical molecular mechanical (QM/MM) methods. In the new scheme, electronic-structure information for obtaining the resonance integral is obtained by means of hybrid QM/MM calculations instead of fully QM calculations. As such, the new strategy can be applied to the studies of very large reactive systems. The new MCMM scheme is tested for two hydrogen-transfer reactions. Very encouraging convergence is obtained for rate constants including tunneling, suggesting that the new MCMM method, called QM/MM-MCMM, is a very general, stable, and efficient procedure for generating potential energy surfaces for large reactive systems. The results are found to converge well with respect to the number of Hessians. The results are also compared to calculations in which the resonance integral data are obtained by pure QM, and this illustrates the sensitivity of reaction rate calculations to the treatment of the QM-MM border. For the smaller of the two systems, comparison is also made to direct dynamics calculations in which the potential energies are computed quantum mechanically on the fly.

Reduction of matrix effects in inductively coupled plasma mass spectrometry by flow injection with an unshielded torch.

PubMed

Gross, Cory T; McIntyre, Sally M; Houk, R S

2009-06-15

Solution samples with matrix concentrations above approximately 0.1% generally present difficulties for analysis by inductively coupled plasma mass spectrometry (ICP-MS) because of cone clogging and matrix effects. Flow injection (FI) is coupled to ICP-MS to reduce deposition from samples such as 1% sodium salts (as NaCl) and seawater (approximately 3% dissolved salts). Surprisingly, matrix effects are also less severe during flow injection, at least for some matrix elements on the particular instrument used. Sodium chloride at 1% Na and undiluted seawater cause only 2 to 29% losses of signal for typical analyte elements. A heavy matrix element (Bi) at 0.1% also induces only approximately 14% loss of analyte signal. However, barium causes a much worse matrix effect, that is, approximately 90% signal loss at 5000 ppm Na. Also, matrix effects during FI are much more severe when a grounded metal shield is inserted between the load coil and the torch, which is the most common mode of operation for the particular ICP-MS device used.

A Coupled/Uncoupled Computational Scheme for Deformation and Fatigue Damage Analysis of Unidirectional Metal-Matrix Composites

NASA Technical Reports Server (NTRS)

Wilt, Thomas E.; Arnold, Steven M.; Saleeb, Atef F.

1997-01-01

A fatigue damage computational algorithm utilizing a multiaxial, isothermal, continuum-based fatigue damage model for unidirectional metal-matrix composites has been implemented into the commercial finite element code MARC using MARC user subroutines. Damage is introduced into the finite element solution through the concept of effective stress that fully couples the fatigue damage calculations with the finite element deformation solution. Two applications using the fatigue damage algorithm are presented. First, an axisymmetric stress analysis of a circumferentially reinforced ring, wherein both the matrix cladding and the composite core were assumed to behave elastic-perfectly plastic. Second, a micromechanics analysis of a fiber/matrix unit cell using both the finite element method and the generalized method of cells (GMC). Results are presented in the form of S-N curves and damage distribution plots.

The Influence of Non-spectral Matrix Effects on the Accuracy of Isotope Ratio Measurement by MC-ICP-MS

NASA Astrophysics Data System (ADS)

Barling, J.; Shiel, A.; Weis, D.

2006-12-01

Non-spectral interferences in ICP-MS are caused by matrix elements effecting the ionisation and transmission of analyte elements. They are difficult to identify in MC-ICP-MS isotopic data because affected analyses exhibit normal mass dependent isotope fractionation. We have therefore investigated a wide range of matrix elements for both stable and radiogenic isotope systems using a Nu Plasma MC-ICP-MS. Matrix elements commonly enhance analyte sensitivity and change the instrumental mass bias experienced by analyte elements. These responses vary with element and therefore have important ramifications for the correction of data for instrumental mass bias by use of an external element (e.g. Pb and many non-traditional stable isotope systems). For Pb isotope measurements (Tl as mass bias element), Mg, Al, Ca, and Fe were investigated as matrix elements. All produced signal enhancement in Pb and Tl. Signal enhancement varied from session to session but for Ca and Al enhancement in Pb was less than for Tl while for Mg and Fe enhancement levels for Pb and Tl were similar. After correction for instrumental mass fractionation using Tl, Mg effected Pb isotope ratios were heavy (e.g. ^{208}Pb/204Pbmatrix > ^{208}Pb/204Pbtrue) for both moderate and high [Mg] while Ca effected Pb showed little change at moderate [Ca] but were light at high [Ca]. ^{208}Pb/204Pbmatrix - ^{208}Pb/204Pbtrue for all elements ranged from +0.0122 to - 0.0177. Isotopic shifts of similar magnitude are observed between Pb analyses of samples that have seen either one or two passes through chemistry (Nobre Silva et al, 2005). The double pass purified aliquots always show better reproducibility. These studies show that the presence of matrix can have a significant effect on the accuracy and reproducibility of replicate Pb isotope analyses. For non-traditional stable isotope systems (e.g. Mo(Zr), Cd(Ag)), the different responses of analyte and mass bias elements to the presence of matrix can result in del/amu for measured & mass bias corrected data that disagree outside of error. Either or both values can be incorrect. For samples, unlike experiments, the correct del/amu is not known in advance. Therefore, for sample analyses to be considered accurate, both measured and exponentially corrected del/amu should agree.

Evaluation of matrix effect on the determination of rare earth elements and As, Bi, Cd, Pb, Se and In in honey and pollen of native Brazilian bees (Tetragonisca angustula - Jataí) by Q-ICP-MS.

PubMed

de Oliveira, Fernanda Ataide; de Abreu, Adriana Trópia; de Oliveira Nascimento, Nathália; Froes-Silva, Roberta Eliane Santos; Antonini, Yasmine; Nalini, Hermínio Arias; de Lena, Jorge Carvalho

2017-01-01

Bees are considered the main pollinators in natural and agricultural environments. Chemical elements from honey and pollen have been used for monitoring the environment, the health of bees and the quality of their products. Nevertheless, there are not many studies on honey and pollen of native Brazilian bees. The goal of this work was to determine important chemical elements (Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm, Lu and Yb) along with As, Bi, Cd, Pb, Se and In, in honey and pollen of native Brazilian bees, assessing analytical interferences from the matrix. A proposed analytical method was developed for these elements by quadrupole ICP-MS. Matrix effect was verified in honey matrix in the quantification of As, Bi and Dy; and in pollen matrix for Bi, Cd, Ce, Gd, La, Pb and Sc. The quality of the method was considered satisfactory taking into consideration the recovery rate of each element in the spiked solutions: honey matrix (91.6-103.9%) and pollen matrix (94.1-115.6%). The quantification limits of the method ranged between 0.00041 and 10.3μgL -1 for honey and 0.00041-0.095μgL -1 for pollen. The results demonstrate that the method is accurate, precise and suitable. Copyright © 2016 Elsevier B.V. All rights reserved.

An updated Lagrangian discontinuous Galerkin hydrodynamic method for gas dynamics

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

Wu, Tong; Shashkov, Mikhail Jurievich; Morgan, Nathaniel Ray

Here, we present a new Lagrangian discontinuous Galerkin (DG) hydrodynamic method for gas dynamics. The new method evolves conserved unknowns in the current configuration, which obviates the Jacobi matrix that maps the element in a reference coordinate system or the initial coordinate system to the current configuration. The density, momentum, and total energy (ρ, ρu, E) are approximated with conservative higher-order Taylor expansions over the element and are limited toward a piecewise constant field near discontinuities using a limiter. Two new limiting methods are presented for enforcing the bounds on the primitive variables of density, velocity, and specific internal energymore » (ρ, u, e). The nodal velocity, and the corresponding forces, are calculated by solving an approximate Riemann problem at the element nodes. An explicit second-order method is used to temporally advance the solution. This new Lagrangian DG hydrodynamic method conserves mass, momentum, and total energy. 1D Cartesian coordinates test problem results are presented to demonstrate the accuracy and convergence order of the new DG method with the new limiters.« less

An updated Lagrangian discontinuous Galerkin hydrodynamic method for gas dynamics

DOE PAGES

Wu, Tong; Shashkov, Mikhail Jurievich; Morgan, Nathaniel Ray; ...

2018-04-09

Here, we present a new Lagrangian discontinuous Galerkin (DG) hydrodynamic method for gas dynamics. The new method evolves conserved unknowns in the current configuration, which obviates the Jacobi matrix that maps the element in a reference coordinate system or the initial coordinate system to the current configuration. The density, momentum, and total energy (ρ, ρu, E) are approximated with conservative higher-order Taylor expansions over the element and are limited toward a piecewise constant field near discontinuities using a limiter. Two new limiting methods are presented for enforcing the bounds on the primitive variables of density, velocity, and specific internal energymore » (ρ, u, e). The nodal velocity, and the corresponding forces, are calculated by solving an approximate Riemann problem at the element nodes. An explicit second-order method is used to temporally advance the solution. This new Lagrangian DG hydrodynamic method conserves mass, momentum, and total energy. 1D Cartesian coordinates test problem results are presented to demonstrate the accuracy and convergence order of the new DG method with the new limiters.« less

Using a multifrontal sparse solver in a high performance, finite element code

NASA Technical Reports Server (NTRS)

King, Scott D.; Lucas, Robert; Raefsky, Arthur

1990-01-01

We consider the performance of the finite element method on a vector supercomputer. The computationally intensive parts of the finite element method are typically the individual element forms and the solution of the global stiffness matrix both of which are vectorized in high performance codes. To further increase throughput, new algorithms are needed. We compare a multifrontal sparse solver to a traditional skyline solver in a finite element code on a vector supercomputer. The multifrontal solver uses the Multiple-Minimum Degree reordering heuristic to reduce the number of operations required to factor a sparse matrix and full matrix computational kernels (e.g., BLAS3) to enhance vector performance. The net result in an order-of-magnitude reduction in run time for a finite element application on one processor of a Cray X-MP.

New ceramics containing dispersants for improved fracture toughness

DOEpatents

Nevitt, M.V.; Aldred, A.T.; Chan, Sai-Kit

1985-07-01

The invention is a ceramic composition containing a new class of dispersant for hindering crack propagation by means of one or more energy-dissipative mechanisms. The composition is composed of a ceramic matrix with dispersed particles of a transformation-prone rare-earth niobate, tantalate or mixtures of these with each other and/or with a rare-earth vanadate. The dispersants, having a generic composition tRBO/sub 4/, where R is a rare-earth element, B if Nb or Ta and O is oxygen, are mixed in powder form with a powder of the matrix ceramic and sintered to produce a ceramic form or body. The crack-hindering mechanisms operates to provide improved performance over a wide range of temperature and operating conditions.

Ceramics containing dispersants for improved fracture toughness

DOEpatents

Nevitt, Michael V.; Aldred, Anthony T.; Chan, Sai-Kit

1987-07-07

The invention is a ceramic composition containing a new class of dispersant for hindering crack propagation by means of one or more energy-dissipative mechanisms. The composition is composed of a ceramic matrix with dispersed particles of a transformation-prone rare-earth niobate, tantalate or mixtures of these with each other and/or with a rare-earth vanadate. The dispersants, having a generic composition tRMO.sub.4, where R is a rare-earth element, B is Nb or Ta and O is oxygen, are mixed in powder form with a powder of the matrix ceramic and sintered to produce a ceramic form or body. The crack-hindering mechanisms operates to provide improved performance over a wide range of temperature and operating conditions.

Prediction of the effect of temperature on impact damage in carbon/epoxy laminates

NASA Astrophysics Data System (ADS)

Gómez del Río, T.; Zaera, R.; Navarro, C.

2003-09-01

The effect of temperature on impact damage in Carbon Fiber Reinforced Plastic (CFRP) tape laminates produced by low velocity impact was studied by numerical simulations made to model drop weight tower impact tests on carbon/epoxy laminate composites. The damage model was implemented into a user subroutine of the finite element code ABAQUS. The model takes into account the thermal stresses resulting form the different thermal expansion coefficients in each ply of the laminate. The tests and simulations show how temperature affects the propagation of each damage mode. Matrix cracking and delamination are greatly affected by low temperature, white matrix crushing and fibre failure appear only in a small region at all the impact energies and test temperatures.

Ceramics containing dispersants for improved fracture toughness

DOEpatents

Nevitt, Michael V.; Aldred, Anthony T.; Chan, Sai-Kit

1987-01-01

The invention is a ceramic composition containing a new class of dispersant for hindering crack propagation by means of one or more energy-dissipative mechanisms. The composition is composed of a ceramic matrix with dispersed particles of a transformation-prone rare-earth niobate, tantalate or mixtures of these with each other and/or with a rare-earth vanadate. The dispersants, having a generic composition tRMO.sub.4, where R is a rare-earth element, B is Nb or Ta and O is oxygen, are mixed in powder form with a powder of the matrix ceramic and sintered to produce a ceramic form or body. The crack-hindering mechanisms operates to provide improved performance over a wide range of temperature and operating conditions.

Decay of correlations between cross-polarized electromagnetic waves in a two-dimensional random medium.

PubMed

Gorodnichev, E E

2018-04-01

The problem of multiple scattering of polarized light in a two-dimensional medium composed of fiberlike inhomogeneities is studied. The attenuation lengths for the density matrix elements are calculated. For a highly absorbing medium it is found that, as the sample thickness increases, the intensity of waves polarized along the fibers decays faster than the other density matrix elements. With further increase in the sample thickness, the off-diagonal elements which are responsible for correlations between the cross-polarized waves disappear. In the asymptotic limit of very thick samples the scattered light proves to be polarized perpendicular to the fibers. The difference in the attenuation lengths between the density matrix elements results in a nonmonotonic depth dependence of the degree of polarization. In the opposite case of a weakly absorbing medium, the off-diagonal element of the density matrix and, correspondingly, the correlations between the cross-polarized fields are shown to decay faster than the intensity of waves polarized along and perpendicular to the fibers.

[Determination of 235U/238U isotope ratios in camphor tree bark samples by MC-ICP-MS after separation of uranium from matrix elements].

PubMed

Wang, Xiao-Ping; Zhang, Ji-Long

2007-07-01

Twelve camphor (cinnamomum camphora) tree bark samples were collected from Hiroshima and Kyoto, and the matrix element composition and morphology of the outer surface of these camphor tree bark samples were studied by EDXS and SEM respectively. After a dry decomposition, DOWEX 1-X8 anion exchange resin was used to separate uranium from matrix elements in these camphor tree bark samples. Finally, 235U/238 U isotope ratios in purified uranium solutions were determined by MC-ICP-MS. It was demonstrated that the outer surface of these camphor tree bark samples is porous and rough, with Al, Ca, Fe, K, Mg, Si, C, O and S as its matrix element composition. Uranium in these camphor tree bark samples can be efficiently separated and quantitatively recovered from the matrix element composition. Compared with those collected from Kyoto, the camphor tree bark samples collected from Hiroshima have significantly higher uranium contents, which may be due to the increased aerosol mass concentration during the city reconstruction. Moreover, the 235 U/23.U isotope ratios in a few camphor tree bark samples collected from Hiroshima are slightly higher than 0.007 25.

Dimension-six matrix elements for meson mixing and lifetimes from sum rules

NASA Astrophysics Data System (ADS)

Kirk, M.; Lenz, A.; Rauh, T.

2017-12-01

The hadronic matrix elements of dimension-six Δ F = 0, 2 operators are crucial inputs for the theory predictions of mixing observables and lifetime ratios in the B and D system. We determine them using HQET sum rules for three-point correlators. The results of the required three-loop computation of the correlators and the one-loop computation of the QCD-HQET matching are given in analytic form. For mixing matrix elements we find very good agreement with recent lattice results and comparable theoretical uncertainties. For lifetime matrix elements we present the first ever determination in the D meson sector and the first determination of Δ B = 0 matrix elements with uncertainties under control — superseeding preliminary lattice studies stemming from 2001 and earlier. With our state-of-the-art determination of the bag parameters we predict: τ( B +)/ τ( B d 0 ) = 1.082 - 0.026 + 0.022 , τ( B s 0 )/ τ( B d 0 ) = 0.9994 ± 0.0025, τ( D +)/ τ( D 0) = 2. 7 - 0.8 + 0.7 and the mixing-observables in the B s and B d system, in good agreement with the most recent experimental averages.

Damped gyroscopic effects and axial-flexural-torsional coupling using spinning finite elements for wind-turbine blades characterization

NASA Astrophysics Data System (ADS)

Velazquez, Antonio; Swartz, R. Andrew

2013-04-01

Renewable energy sources like wind are important technologies, useful to alleviate for the current fossil-fuel crisis. Capturing wind energy in a more efficient way has resulted in the emergence of more sophisticated designs of wind turbines, particularly Horizontal-Axis Wind Turbines (HAWTs). To promote efficiency, traditional finite element methods have been widely used to characterize the aerodynamics of these types of multi-body systems and improve their design. Given their aeroelastic behavior, tapered-swept blades offer the potential to optimize energy capture and decrease fatigue loads. Nevertheless, modeling special complex geometries requires huge computational efforts necessitating tradeoffs between faster computation times at lower cost, and reliability and numerical accuracy. Indeed, the computational cost and the numerical effort invested, using traditional FE methods, to reproduce dependable aerodynamics of these complex-shape beams are sometimes prohibitive. A condensed Spinning Finite Element (SFE) method scheme is presented in this study aimed to alleviate this issue by means of modeling wind-turbine rotor blades properly with tapered-swept cross-section variations of arbitrary order via Lagrangian equations. Axial-flexural-torsional coupling is carried out on axial deformation, torsion, in-plane bending and out-of-plane bending using super-convergent elements. In this study, special attention is paid for the case of damped yaw effects, expressed within the described skew-symmetric damped gyroscopic matrix. Dynamics of the model are analyzed by achieving modal analysis with complex-number eigen-frequencies. By means of mass, damped gyroscopic, and stiffness (axial-flexural-torsional coupling) matrix condensation (order reduction), numerical analysis is carried out for several prototypes with different tapered, swept, and curved variation intensities, and for a practical range of spinning velocities at different rotation angles. A convergence study for the resulting natural frequencies is performed to evaluate the dynamic collateral effects of tapered-swept blade profiles in spinning motion using this new model. Stability analysis in boundary conditions of the postulated model is achieved to test the convergence and integrity of the mathematical model. The proposed framework presumes to be particularly suitable to characterize models with complex-shape cross-sections at low computation cost.

Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

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

Roemelt, Michael, E-mail: michael.roemelt@theochem.rub.de

Spin Orbit Coupling (SOC) is introduced to molecular ab initio density matrix renormalization group (DMRG) calculations. In the presented scheme, one first approximates the electronic ground state and a number of excited states of the Born-Oppenheimer (BO) Hamiltonian with the aid of the DMRG algorithm. Owing to the spin-adaptation of the algorithm, the total spin S is a good quantum number for these states. After the non-relativistic DMRG calculation is finished, all magnetic sublevels of the calculated states are constructed explicitly, and the SOC operator is expanded in the resulting basis. To this end, spin orbit coupled energies and wavefunctionsmore » are obtained as eigenvalues and eigenfunctions of the full Hamiltonian matrix which is composed of the SOC operator matrix and the BO Hamiltonian matrix. This treatment corresponds to a quasi-degenerate perturbation theory approach and can be regarded as the molecular equivalent to atomic Russell-Saunders coupling. For the evaluation of SOC matrix elements, the full Breit-Pauli SOC Hamiltonian is approximated by the widely used spin-orbit mean field operator. This operator allows for an efficient use of the second quantized triplet replacement operators that are readily generated during the non-relativistic DMRG algorithm, together with the Wigner-Eckart theorem. With a set of spin-orbit coupled wavefunctions at hand, the molecular g-tensors are calculated following the scheme proposed by Gerloch and McMeeking. It interprets the effective molecular g-values as the slope of the energy difference between the lowest Kramers pair with respect to the strength of the applied magnetic field. Test calculations on a chemically relevant Mo complex demonstrate the capabilities of the presented method.« less

Implementation of polyatomic MCTDHF capability

NASA Astrophysics Data System (ADS)

Haxton, Daniel; Jones, Jeremiah; Rescigno, Thomas; McCurdy, C. William; Ibrahim, Khaled; Williams, Sam; Vecharynski, Eugene; Rouet, Francois-Henry; Li, Xiaoye; Yang, Chao

2015-05-01

The implementation of the Multiconfiguration Time-Dependent Hartree-Fock method for poly- atomic molecules using a cartesian product grid of sinc basis functions will be discussed. The focus will be on two key components of the method: first, the use of a resolution-of-the-identity approximation; sec- ond, the use of established techniques for triple Toeplitz matrix algebra using fast Fourier transform over distributed memory architectures (MPI 3D FFT). The scaling of two-electron matrix element transformations is converted from O(N4) to O(N log N) by including these components. Here N = n3, with n the number of points on a side. We test the prelim- inary implementation by calculating absorption spectra of small hydro- carbons, using approximately 16-512 points on a side. This work is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under the Early Career program, and by the offices of BES and Advanced Scientific Computing Research, under the SciDAC program.

Two-neutrino double-β decay of 150Nd to excited final states in 150Sm

NASA Astrophysics Data System (ADS)

Kidd, M. F.; Esterline, J. H.; Finch, S. W.; Tornow, W.

2014-11-01

Background: Double-β decay is a rare nuclear process in which two neutrons in the nucleus are converted to two protons with the emission of two electrons and two electron antineutrinos. Purpose: We measured the half-life of the two-neutrino double-β decay of 150Nd to excited final states of 150Sm by detecting the deexcitation γ rays of the daughter nucleus. Method: This study yields the first detection of the coincidence γ rays from the 0 1+ excited state of 150Sm. These γ rays have energies of 333.97 and 406.52 keV and are emitted in coincidence through a 01+→21+→0gs+ transition. Results: The enriched Nd2O3 sample consisted of 40.13 g 150Nd and was observed for 642.8 days at the Kimballton Underground Research Facility, producing 21.6 net events in the region of interest. This count rate gives a half-life of T1 /2=[1 .07-0.25+0.45(stat ) ±0.07 (syst ) ] ×1020 yr. The effective nuclear matrix element was found to be 0.0465 -0.0054+0.0098. Finally, lower limits were obtained for decays to higher excited final states. Conclusions: Our half-life measurement agrees within uncertainties with another recent measurement in which no coincidence was employed. Our nuclear matrix element calculation may have an impact on a recent neutrinoless double-β decay nuclear matrix element calculation which implies that the decay to the first excited state in 150Sm is favored over that to the ground state.

Calculation of Collisional Cross Sections for the 2P3/2 - 2P1/2 Transition in Alkali-Noble Gas Systems

DTIC Science & Technology

2010-03-01

matrix elements. From scattering matrix elements for several different effective potential values and using the Method of Partial Waves[7], the...scattering matrix elements. Through the Method of Par- tial Waves[7], the procedure was repeated for several different effective potentials. The...section calculations. It is important to note that lmax may differ for σel and σi→f . This method may only be used if both σi→f and σel have

Axial-Current Matrix Elements in Light Nuclei from Lattice QCD

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

Savage, Martin; Shanahan, Phiala E.; Tiburzi, Brian C.

2016-12-01

I present results from the first lattice QCD calculations of axial-current matrix elements in light nuclei, performed by the NPLQCD collaboration. Precision calculations of these matrix elements, and the subsequent extraction of multi-nucleon axial-current operators, are essential in refining theoretical predictions of the proton-proton fusion cross section, neutrino-nucleus cross sections andmore » $$\\beta\\beta$$-decay rates of nuclei. In addition, they are expected to shed light on the phenomenological quenching of $$g_A$$ that is required in nuclear many-body calculations.« less

The multifacet graphically contracted function method. I. Formulation and implementation

NASA Astrophysics Data System (ADS)

Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R.

2014-08-01

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N2n4) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

The multifacet graphically contracted function method. I. Formulation and implementation.

PubMed

Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R

2014-08-14

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N(2)n(4)) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

Correction of absorption-edge artifacts in polychromatic X-ray tomography in a scanning electron microscope for 3D microelectronics

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

Laloum, D., E-mail: david.laloum@cea.fr; CEA, LETI, MINATEC Campus, 17 rue des Martyrs, 38054 Grenoble Cedex 9; STMicroelectronics, 850 rue Jean Monnet, 38926 Crolles

2015-01-15

X-ray tomography is widely used in materials science. However, X-ray scanners are often based on polychromatic radiation that creates artifacts such as dark streaks. We show this artifact is not always due to beam hardening. It may appear when scanning samples with high-Z elements inside a low-Z matrix because of the high-Z element absorption edge: X-rays whose energy is above this edge are strongly absorbed, violating the exponential decay assumption for reconstruction algorithms and generating dark streaks. A method is proposed to limit the absorption edge effect and is applied on a microelectronic case to suppress dark streaks between interconnections.

Numerical Manifold Method for the Forced Vibration of Thin Plates during Bending

PubMed Central

Jun, Ding; Song, Chen; Wei-Bin, Wen; Shao-Ming, Luo; Xia, Huang

2014-01-01

A novel numerical manifold method was derived from the cubic B-spline basis function. The new interpolation function is characterized by high-order coordination at the boundary of a manifold element. The linear elastic-dynamic equation used to solve the bending vibration of thin plates was derived according to the principle of minimum instantaneous potential energy. The method for the initialization of the dynamic equation and its solution process were provided. Moreover, the analysis showed that the calculated stiffness matrix exhibited favorable performance. Numerical results showed that the generalized degrees of freedom were significantly fewer and that the calculation accuracy was higher for the manifold method than for the conventional finite element method. PMID:24883403

Analysis of crack propagation as an energy absorption mechanism in metal matrix composites

NASA Technical Reports Server (NTRS)

Adams, D. F.; Murphy, D. P.

1981-01-01

The crack initiation and crack propagation capability was extended to the previously developed generalized plane strain, finite element micromechanics analysis. Also, an axisymmetric analysis was developed, which contains all of the general features of the plane analysis, including elastoplastic material behavior, temperature-dependent material properties, and crack propagation. These analyses were used to generate various example problems demonstrating the inelastic response of, and crack initiation and propagation in, a boron/aluminum composite.

Monte Carlos of the new generation: status and progress

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

Frixione, Stefano

2005-03-22

Standard parton shower monte carlos are designed to give reliable descriptions of low-pT physics. In the very high-energy regime of modern colliders, this is may lead to largely incorrect predictions of the basic reaction processes. This motivated the recent theoretical efforts aimed at improving monte carlos through the inclusion of matrix elements computed beyond the leading order in QCD. I briefly review the progress made, and discuss bottom production at the Tevatron.

Investigation of the stability of glass-ceramic composites containing CeTi 2 O 6 and CaZrTi 2 O 7 after ion implantation

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

Paknahad, Elham; Grosvenor, Andrew P.

Glass-ceramic composite materials have been investigated for nuclear waste sequestration applications due to their ability to incorporate large amounts of radioactive waste elements. A key property that needs to be understood when developing nuclear waste sequestration materials is how the structure of the material responds to radioactive decay of nuclear waste elements, which can be simulated by high energy ion implantation. Borosilicate glass-ceramic composites containing brannerite-type (CeTi2O6) or zirconolite-type (CaZrTi2O7) oxides were synthesized at different annealing temperatures and investigated after being implanted with high-energy Au ions to mimic radiation induced structural damage. Backscattered electron (BSE) images were collected to investigatemore » the interaction of the brannerite crystallites with the glass matrix before and after implantation and showed that the morphology of the crystallites in the composite materials were not affected by radiation damage. Surface sensitive Ti K-edge glancing angle XANES spectra collected from the implanted composite materials showed that the structures of the CeTi2O6 and CaZrTi2O7 ceramics were damaged as a result of implantation; however, analysis of Si L2,3-edge XANES spectra indicated that the glass matrix was not affected by ion implantation.« less

Investigation of the stability of glass-ceramic composites containing CeTi2O6 and CaZrTi2O7 after ion implantation

NASA Astrophysics Data System (ADS)

Paknahad, Elham; Grosvenor, Andrew P.

2017-12-01

Glass-ceramic composite materials have been investigated for nuclear waste sequestration applications due to their ability to incorporate large amounts of radioactive waste elements. A key property that needs to be understood when developing nuclear waste sequestration materials is how the structure of the material responds to radioactive decay of nuclear waste elements, which can be simulated by high energy ion implantation. Borosilicate glass-ceramic composites containing brannerite-type (CeTi2O6) or zirconolite-type (CaZrTi2O7) oxides were synthesized at different annealing temperatures and investigated after being implanted with high-energy Au ions to mimic radiation induced structural damage. Backscattered electron (BSE) images were collected to investigate the interaction of the brannerite crystallites with the glass matrix before and after implantation and showed that the morphology of the crystallites in the composite materials were not affected by radiation damage. Surface sensitive Ti K-edge glancing angle XANES spectra collected from the implanted composite materials showed that the structures of the CeTi2O6 and CaZrTi2O7 ceramics were damaged as a result of implantation; however, analysis of Si L2,3-edge XANES spectra indicated that the glass matrix was not affected by ion implantation.

Review of lattice results concerning low-energy particle physics: Flavour Lattice Averaging Group (FLAG).

PubMed

Aoki, S; Aoki, Y; Bečirević, D; Bernard, C; Blum, T; Colangelo, G; Della Morte, M; Dimopoulos, P; Dürr, S; Fukaya, H; Golterman, M; Gottlieb, Steven; Hashimoto, S; Heller, U M; Horsley, R; Jüttner, A; Kaneko, T; Lellouch, L; Leutwyler, H; Lin, C-J D; Lubicz, V; Lunghi, E; Mawhinney, R; Onogi, T; Pena, C; Sachrajda, C T; Sharpe, S R; Simula, S; Sommer, R; Vladikas, A; Wenger, U; Wittig, H

2017-01-01

We review lattice results related to pion, kaon, D - and B -meson physics with the aim of making them easily accessible to the particle-physics community. More specifically, we report on the determination of the light-quark masses, the form factor [Formula: see text], arising in the semileptonic [Formula: see text] transition at zero momentum transfer, as well as the decay constant ratio [Formula: see text] and its consequences for the CKM matrix elements [Formula: see text] and [Formula: see text]. Furthermore, we describe the results obtained on the lattice for some of the low-energy constants of [Formula: see text] and [Formula: see text] Chiral Perturbation Theory. We review the determination of the [Formula: see text] parameter of neutral kaon mixing as well as the additional four B parameters that arise in theories of physics beyond the Standard Model. The latter quantities are an addition compared to the previous review. For the heavy-quark sector, we provide results for [Formula: see text] and [Formula: see text] (also new compared to the previous review), as well as those for D - and B -meson-decay constants, form factors, and mixing parameters. These are the heavy-quark quantities most relevant for the determination of CKM matrix elements and the global CKM unitarity-triangle fit. Finally, we review the status of lattice determinations of the strong coupling constant [Formula: see text].

Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent states

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

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

A surface-hopping extension of the coupled coherent states-method [D. Shalashilin and M. Child, Chem. Phys. 304, 103-120 (2004)] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schrödinger equation for the motion of the nuclei is solved in a moving basis set. The basis set is guided by classical trajectories, which can hop stochastically between different electronic potential energy surfaces. The non-adiabatic transitions are modelled by a modified version of Tully’s fewest switches algorithm. The trajectories consist of Gaussians in the phase space of the nuclei (coherent states) combined with amplitudes for an electronicmore » wave function. The time-dependent matrix elements between different coherent states determine the amplitude of each trajectory in the total multistate wave function; the diagonal matrix elements determine the hopping probabilities and gradients. In this way, both interference effects and non-adiabatic transitions can be described in a very compact fashion, leading to the exact solution if convergence with respect to the number of trajectories is achieved and the potential energy surfaces are known globally. The method is tested on a 2D model for a conical intersection [A. Ferretti, J. Chem. Phys. 104, 5517 (1996)], where a nuclear wavepacket encircles the point of degeneracy between two potential energy surfaces and interferes with itself. These interference effects are absent in classical trajectory-based molecular dynamics but can be fully incorpo rated if trajectories are replaced by surface hopping coupled coherent states.« less

Photomask CD and LER characterization using Mueller matrix spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Heinrich, A.; Dirnstorfer, I.; Bischoff, J.; Meiner, K.; Ketelsen, H.; Richter, U.; Mikolajick, T.

2014-10-01

Critical dimension and line edge roughness on photomask arrays are determined with Mueller matrix spectroscopic ellipsometry. Arrays with large sinusoidal perturbations are measured for different azimuth angels and compared with simulations based on rigorous coupled wave analysis. Experiment and simulation show that line edge roughness leads to characteristic changes in the different Mueller matrix elements. The influence of line edge roughness is interpreted as an increase of isotropic character of the sample. The changes in the Mueller matrix elements are very similar when the arrays are statistically perturbed with rms roughness values in the nanometer range suggesting that the results on the sinusoidal test structures are also relevant for "real" mask errors. Critical dimension errors and line edge roughness have similar impact on the SE MM measurement. To distinguish between both deviations, a strategy based on the calculation of sensitivities and correlation coefficients for all Mueller matrix elements is shown. The Mueller matrix elements M13/M31 and M34/M43 are the most suitable elements due to their high sensitivities to critical dimension errors and line edge roughness and, at the same time, to a low correlation coefficient between both influences. From the simulated sensitivities, it is estimated that the measurement accuracy has to be in the order of 0.01 and 0.001 for the detection of 1 nm critical dimension error and 1 nm line edge roughness, respectively.

$$B^0_{(s)}$$-mixing matrix elements from lattice QCD for the Standard Model and beyond

DOE PAGES

Bazavov, A.; Bernard, C.; Bouchard, C. M.; ...

2016-06-28

We calculate—for the first time in three-flavor lattice QCD—the hadronic matrix elements of all five local operators that contribute to neutral B 0- and B s-meson mixing in and beyond the Standard Model. We present a complete error budget for each matrix element and also provide the full set of correlations among the matrix elements. We also present the corresponding bag parameters and their correlations, as well as specific combinations of the mixing matrix elements that enter the expression for the neutral B-meson width difference. We obtain the most precise determination to date of the SU(3)-breaking ratio ξ=1.206(18)(6), where themore » second error stems from the omission of charm-sea quarks, while the first encompasses all other uncertainties. The threefold reduction in total uncertainty, relative to the 2013 Flavor Lattice Averaging Group results, tightens the constraint from B mixing on the Cabibbo-Kobayashi-Maskawa (CKM) unitarity triangle. Our calculation employs gauge-field ensembles generated by the MILC Collaboration with four lattice spacings and pion masses close to the physical value. We use the asqtad-improved staggered action for the light-valence quarks and the Fermilab method for the bottom quark. We use heavy-light meson chiral perturbation theory modified to include lattice-spacing effects to extrapolate the five matrix elements to the physical point. We combine our results with experimental measurements of the neutral B-meson oscillation frequencies to determine the CKM matrix elements |V td| = 8.00(34)(8)×10 -3, |V ts| = 39.0(1.2)(0.4)×10 -3, and |V td/V ts| = 0.2052(31)(10), which differ from CKM-unitarity expectations by about 2σ. In addition, these results and others from flavor-changing-neutral currents point towards an emerging tension between weak processes that are mediated at the loop and tree levels.« less

Detection of Amine Impurity and Quality Assessment of the MALDI Matrix α-Cyano-4-Hydroxy-Cinnamic Acid for Peptide Analysis in the amol Range

NASA Astrophysics Data System (ADS)

Rechthaler, Justyna; Pittenauer, Ernst; Schaub, Tanner M.; Allmaier, Günter

2013-05-01

We have studied sample preparation conditions to increase the reproducibility of positive UV-MALDI-TOF mass spectrometry of peptides in the amol range. By evaluating several α-cyano-4-hydroxy-cinnamic acid (CHCA) matrix batches and preparation protocols, it became apparent that two factors have a large influence on the reproducibility and the quality of the generated peptide mass spectra: (1) the selection of the CHCA matrix, which allows the most sensitive measurements and an easier finding of the "sweet spots," and (2) the amount of the sample volume deposited onto the thin crystalline matrix layer. We have studied in detail the influence of a contaminant, coming from commercial CHCA matrix batches, on sensitivity of generated peptide mass spectra in the amol as well as fmol range of a tryptic peptide mixture. The structure of the contaminant, N, N-dimethylbutyl amine, was determined by applying MALDI-FT-ICR mass spectrometry experiments for elemental composition and MALDI high energy CID experiments utilizing a tandem mass spectrometer (TOF/RTOF). A recrystallization of heavily contaminated CHCA batches that reduces or eliminates the determined impurity is described. Furthermore, a fast and reliable method for the assessment of CHCA matrix batches prior to tryptic peptide MALDI mass spectrometric analyses is presented.

Metal-insulator transition in a doubly orbitally degenerate model with correlated hopping

NASA Astrophysics Data System (ADS)

Didukh, L.; Skorenkyy, Yu.; Dovhopyaty, Yu.; Hankevych, V.

2000-03-01

In the present paper, we propose a doubly orbitally degenerate narrow-band model with correlated hopping. The peculiarity of the model is taking into account the matrix element of electron-electron interaction, which describes intersite hoppings of electrons. In particular, this leads to the concentration dependence of the effective hopping integral. The cases of the strong and weak Hund's coupling are considered. By means of a generalized mean-field approximation the single-particle Green function and quasiparticle energy spectrum are calculated. Metal-insulator transition is studied in the model at different integer values of the electron concentration. With the help of the obtained energy spectrum, we find energy gap width and criteria of metal-insulator transition.

Measurement of the transverse four-dimensional beam rms-emittance of an intense uranium beam at 11.4 MeV/u

NASA Astrophysics Data System (ADS)

Xiao, C.; Groening, L.; Gerhard, P.; Maier, M.; Mickat, S.; Vormann, H.

2016-06-01

Knowledge of the transverse four-dimensional beam rms-parameters is essential for applications that involve lattice elements that couple the two transverse degrees of freedom (planes). Usually pepper-pots are used for measuring these beam parameters. However, for ions their application is limited to energies below 150 keV/u. This contribution is on measurements of the full transverse four-dimensional second-moments beam matrix of high intensity uranium ions at an energy of 11.4 MeV/u. The combination of skew quadrupoles with a slit/grid emittance measurement device has been successfully applied.

Single inclusive jet production and the nuclear modification ratio at very forward rapidity in proton-lead collisions with √{sNN } = 5.02 TeV

NASA Astrophysics Data System (ADS)

Bury, Marcin; Van Haevermaet, Hans; Van Hameren, Andreas; Van Mechelen, Pierre; Kutak, Krzysztof; Serino, Mirko

2018-05-01

We present calculations of single inclusive jet transverse momentum and energy spectra at forward rapidity (5.2 < y < 6.6) in proton-lead collisions with √{sNN } = 5.02 TeV. The predictions are obtained with the KaTie Monte Carlo event generator, which allows to calculate interactions within the High Energy Factorisation framework. The tree-level matrix element results are subsequently interfaced with the CASCADE Monte Carlo event generator to account for hadronisation. The effects of the saturation of the gluon density, leading to suppression of the cross section, are investigated.

Overcoming Matrix Effects in a Complex Sample: Analysis of Multiple Elements in Multivitamins by Atomic Absorption Spectroscopy

ERIC Educational Resources Information Center

Arnold, Randy J.; Arndt, Brett; Blaser, Emilia; Blosser, Chris; Caulton, Dana; Chung, Won Sog; Fiorenza, Garrett; Heath, Wyatt; Jacobs, Alex; Kahng, Eunice; Koh, Eun; Le, Thao; Mandla, Kyle; McCory, Chelsey; Newman, Laura; Pithadia, Amit; Reckelhoff, Anna; Rheinhardt, Joseph; Skljarevski, Sonja; Stuart, Jordyn; Taylor, Cassie; Thomas, Scott; Tse, Kyle; Wall, Rachel; Warkentien, Chad

2011-01-01

A multivitamin tablet and liquid are analyzed for the elements calcium, magnesium, iron, zinc, copper, and manganese using atomic absorption spectrometry. Linear calibration and standard addition are used for all elements except calcium, allowing for an estimate of the matrix effects encountered for this complex sample. Sample preparation using…

Transferring elements of a density matrix

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

Allahverdyan, Armen E.; Hovhannisyan, Karen V.; Yerevan State University, A. Manoogian Street 1, Yerevan

2010-01-15

We study restrictions imposed by quantum mechanics on the process of matrix-element transfer. This problem is at the core of quantum measurements and state transfer. Given two systems A and B with initial density matrices lambda and r, respectively, we consider interactions that lead to transferring certain matrix elements of unknown lambda into those of the final state r-tilde of B. We find that this process eliminates the memory on the transferred (or certain other) matrix elements from the final state of A. If one diagonal matrix element is transferred, r(tilde sign){sub aa}=lambda{sub aa}, the memory on each nondiagonal elementmore » lambda{sub an}ot ={sub b} is completely eliminated from the final density operator of A. Consider the following three quantities, Relambda{sub an}ot ={sub b}, Imlambda{sub an}ot ={sub b}, and lambda{sub aa}-lambda{sub bb} (the real and imaginary part of a nondiagonal element and the corresponding difference between diagonal elements). Transferring one of them, e.g., Rer(tilde sign){sub an}ot ={sub b}=Relambda{sub an}ot ={sub b}, erases the memory on two others from the final state of A. Generalization of these setups to a finite-accuracy transfer brings in a trade-off between the accuracy and the amount of preserved memory. This trade-off is expressed via system-independent uncertainty relations that account for local aspects of the accuracy-disturbance trade-off in quantum measurements. Thus, the general aspect of state disturbance in quantum measurements is elimination of memory on non-diagonal elements, rather than diagonalization.« less

Constraining anomalous Higgs boson couplings to the heavy-flavor fermions using matrix element techniques

NASA Astrophysics Data System (ADS)

Gritsan, Andrei V.; Röntsch, Raoul; Schulze, Markus; Xiao, Meng

2016-09-01

In this paper, we investigate anomalous interactions of the Higgs boson with heavy fermions, employing shapes of kinematic distributions. We study the processes p p →t t ¯+H , b b ¯+H , t q +H , and p p →H →τ+τ- and present applications of event generation, reweighting techniques for fast simulation of anomalous couplings, as well as matrix element techniques for optimal sensitivity. We extend the matrix element likelihood approach (MELA) technique, which proved to be a powerful matrix element tool for Higgs boson discovery and characterization during Run I of the LHC, and implement all analysis tools in the JHU generator framework. A next-to-leading-order QCD description of the p p →t t ¯+H process allows us to investigate the performance of the MELA in the presence of extra radiation. Finally, projections for LHC measurements through the end of Run III are presented.

Relativistic, model-independent, multichannel 2 → 2 transition amplitudes in a finite volume

DOE PAGES

Briceno, Raul A.; Hansen, Maxwell T.

2016-07-13

We derive formalism for determining 2 + J → 2 infinite-volume transition amplitudes from finite-volume matrix elements. Specifically, we present a relativistic, model-independent relation between finite-volume matrix elements of external currents and the physically observable infinite-volume matrix elements involving two-particle asymptotic states. The result presented holds for states composed of two scalar bosons. These can be identical or non-identical and, in the latter case, can be either degenerate or non-degenerate. We further accommodate any number of strongly-coupled two-scalar channels. This formalism will, for example, allow future lattice QCD calculations of themore » $$\\rho$$-meson form factor, in which the unstable nature of the $$\\rho$$ is rigorously accommodated. In conclusion, we also discuss how this work will impact future extractions of nuclear parity and hadronic long-range matrix elements from lattice QCD.« less

Predicting the properties of the lead alloys from DFT calculations

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

Buimaga-Iarinca, L., E-mail: luiza.iarinca@itim-cj.ro; Calborean, A.

2015-12-23

We provide qualitative results for the physical properties of the lead alloys at atomic scale by using DFT calculations. Our approach is based on the two assumptions: (i) the geometric structure of lead atoms provides a matrix where the alloying elements can take their positions in the structure as substitutions and (ii) there is a small probability of a direct interaction between the alloying elements, thus the interactions of each alloying element may be approximated by the interactions to the lead matrix. DFT calculations are used to investigate the interaction between several types of impurities and the lead matrix formore » low concentrations of the alloying element. We report results such as the enthalpy of formation, charge transfer and mechanical stress induced by the impurities in the lead matrix; these results can be used as qualitative guide in tuning the physico-chemical properties of the lead alloys.« less

Partial restoration of isospin symmetry for neutrinoless double β decay in the deformed nuclear system of 150Nd

NASA Astrophysics Data System (ADS)

Fang, Dong-Liang; Faessler, Amand; Simkovic, Fedor

2015-10-01

In this work, we calculate the matrix elements for the 0 ν β β decay of 150Nd using the deformed quasiparticle random-phase approximation (p n -QRPA) method. We adopted the approach introduced by Rodin and Faessler [Phys. Rev. C 84, 014322 (2011), 10.1103/PhysRevC.84.014322] and Simkovic et al. [Phys. Rev. C 87, 045501 (2013), 10.1103/PhysRevC.87.045501] to restore the isospin symmetry by enforcing MF2 ν=0 . We found that with this restoration, the Fermi matrix elements are reduced in the strongly deformed 150Nd by about 15 to 20%, while the more important Gamow-Teller matrix elements remain the same. The results of an enlarged model space are also presented. This enlargement increases the total (Fermi plus Gamow-Teller) matrix elements by less than 10%.

Multi-Hadron Observables from Lattice Quantum Chromodynamics

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

Hansen, Maxwell

2014-01-01

We describe formal work that relates the nite-volume spectrum in a quantum eld theory to scattering and decay amplitudes. This is of particular relevance to numerical calculations performed using Lattice Quantum Chromodynamics (LQCD). Correlators calculated using LQCD can only be determined on the Euclidean time axis. For this reason the standard method of determining scattering amplitudes via the Lehmann-Symanzik-Zimmermann reduction formula cannot be employed. By contrast, the nite-volume spectrum is directly accessible in LQCD calculations. Formalism for relating the spectrum to physical scattering observables is thus highly desirable. In this thesis we develop tools for extracting physical information from LQCDmore » for four types of observables. First we analyze systems with multiple, strongly-coupled two-scalar channels. Here we accommodate both identical and nonidentical scalars, and in the latter case allow for degenerate as well as nondegenerate particle masses. Using relativistic eld theory, and summing to all orders in perturbation theory, we derive a result relating the nite-volume spectrum to the two-to-two scattering amplitudes of the coupled-channel theory. This generalizes the formalism of Martin L uscher for the case of single-channel scattering. Second we consider the weak decay of a single particle into multiple, coupled two-scalar channels. We show how the nite-volume matrix element extracted in LQCD is related to matrix elements of asymptotic two-particle states, and thus to decay amplitudes. This generalizes work by Laurent Lellouch and Martin L uscher. Third we extend the method for extracting matrix elements by considering currents which insert energy, momentum and angular momentum. This allows one to extract transition matrix elements and form factors from LQCD. Finally we look beyond two-particle systems to those with three-particles in asymptotic states. Working again to all orders in relativistic eld theory, we derive a relation between the spectrum and an in nite-volume three-to-three scattering quantity. This nal analysis is the most complicated of the four, because the all-orders summation is more di cult for this system, and also because a number of new technical issues arise in analyzing the contributing diagrams.« less

Scattering Matrix for the Interaction between Solar Acoustic Waves and Sunspots. I. Measurements

NASA Astrophysics Data System (ADS)

Yang, Ming-Hsu; Chou, Dean-Yi; Zhao, Hui

2017-01-01

Assessing the interaction between solar acoustic waves and sunspots is a scattering problem. The scattering matrix elements are the most commonly used measured quantities to describe scattering problems. We use the wavefunctions of scattered waves of NOAAs 11084 and 11092 measured in the previous study to compute the scattering matrix elements, with plane waves as the basis. The measured scattered wavefunction is from the incident wave of radial order n to the wave of another radial order n‧, for n=0{--}5. For a time-independent sunspot, there is no mode mixing between different frequencies. An incident mode is scattered into various modes with different wavenumbers but the same frequency. Working in the frequency domain, we have the individual incident plane-wave mode, which is scattered into various plane-wave modes with the same frequency. This allows us to compute the scattering matrix element between two plane-wave modes for each frequency. Each scattering matrix element is a complex number, representing the transition from the incident mode to another mode. The amplitudes of diagonal elements are larger than those of the off-diagonal elements. The amplitude and phase of the off-diagonal elements are detectable only for n-1≤slant n\\prime ≤slant n+1 and -3{{Δ }}k≤slant δ {k}x≤slant 3{{Δ }}k, where δ {k}x is the change in the transverse component of the wavenumber and Δk = 0.035 rad Mm-1.

Damping mathematical modelling and dynamic responses for FRP laminated composite plates with polymer matrix

NASA Astrophysics Data System (ADS)

Liu, Qimao

2018-02-01

This paper proposes an assumption that the fibre is elastic material and polymer matrix is viscoelastic material so that the energy dissipation depends only on the polymer matrix in dynamic response process. The damping force vectors in frequency and time domains, of FRP (Fibre-Reinforced Polymer matrix) laminated composite plates, are derived based on this assumption. The governing equations of FRP laminated composite plates are formulated in both frequency and time domains. The direct inversion method and direct time integration method for nonviscously damped systems are employed to solve the governing equations and achieve the dynamic responses in frequency and time domains, respectively. The computational procedure is given in detail. Finally, dynamic responses (frequency responses with nonzero and zero initial conditions, free vibration, forced vibrations with nonzero and zero initial conditions) of a FRP laminated composite plate are computed using the proposed methodology. The proposed methodology in this paper is easy to be inserted into the commercial finite element analysis software. The proposed assumption, based on the theory of material mechanics, needs to be further proved by experiment technique in the future.

Spectral K-edge subtraction imaging

NASA Astrophysics Data System (ADS)

Zhu, Y.; Samadi, N.; Martinson, M.; Bassey, B.; Wei, Z.; Belev, G.; Chapman, D.

2014-05-01

We describe a spectral x-ray transmission method to provide images of independent material components of an object using a synchrotron x-ray source. The imaging system and process is similar to K-edge subtraction (KES) imaging where two imaging energies are prepared above and below the K-absorption edge of a contrast element and a quantifiable image of the contrast element and a water equivalent image are obtained. The spectral method, termed ‘spectral-KES’ employs a continuous spectrum encompassing an absorption edge of an element within the object. The spectrum is prepared by a bent Laue monochromator with good focal and energy dispersive properties. The monochromator focuses the spectral beam at the object location, which then diverges onto an area detector such that one dimension in the detector is an energy axis. A least-squares method is used to interpret the transmitted spectral data with fits to either measured and/or calculated absorption of the contrast and matrix material-water. The spectral-KES system is very simple to implement and is comprised of a bent Laue monochromator, a stage for sample manipulation for projection and computed tomography imaging, and a pixelated area detector. The imaging system and examples of its applications to biological imaging are presented. The system is particularly well suited for a synchrotron bend magnet beamline with white beam access.

Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers

NASA Astrophysics Data System (ADS)

Bury, Marcin; van Hameren, Andreas; Jung, Hannes; Kutak, Krzysztof; Sapeta, Sebastian; Serino, Mirko

2018-02-01

A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high p_t dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization.

Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers.

PubMed

Bury, Marcin; van Hameren, Andreas; Jung, Hannes; Kutak, Krzysztof; Sapeta, Sebastian; Serino, Mirko

2018-01-01

A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high [Formula: see text] dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization.

Searching for new physics at the frontiers with lattice quantum chromodynamics.

PubMed

Van de Water, Ruth S

2012-07-01

Numerical lattice-quantum chromodynamics (QCD) simulations, when combined with experimental measurements, allow the determination of fundamental parameters of the particle-physics Standard Model and enable searches for physics beyond-the-Standard Model. We present the current status of lattice-QCD weak matrix element calculations needed to obtain the elements and phase of the Cabibbo-Kobayashi-Maskawa (CKM) matrix and to test the Standard Model in the quark-flavor sector. We then discuss evidence that may hint at the presence of new physics beyond the Standard Model CKM framework. Finally, we discuss two opportunities where we expect lattice QCD to play a pivotal role in searching for, and possibly discovery of, new physics at upcoming high-intensity experiments: rare decays and the muon anomalous magnetic moment. The next several years may witness the discovery of new elementary particles at the Large Hadron Collider (LHC). The interplay between lattice QCD, high-energy experiments at the LHC, and high-intensity experiments will be needed to determine the underlying structure of whatever physics beyond-the-Standard Model is realized in nature. © 2012 New York Academy of Sciences.

Diphoton production at the Tevatron and the LHC in the NLO approximation of the parton Reggeization approach

NASA Astrophysics Data System (ADS)

Nefedov, M. A.; Saleev, V. A.

2015-11-01

The hadroproduction of prompt isolated photon pairs at high energies is studied in the framework of the parton Reggeization approach. The real part of the NLO corrections is computed (the NLO⋆ approximation), and the procedure for the subtraction of double counting between real parton emissions in the hard-scattering matrix element and unintegrated parton distribution function is constructed for the amplitudes with Reggeized quarks in the initial state. The matrix element of the important next-to-next-to-leading-order subprocess R R →γ γ with full dependence on the transverse momenta of the initial-state Reggeized gluons is obtained. We compare obtained numerical results with diphoton spectra measured at the Tevatron and the LHC and find a good agreement of our predictions with experimental data at the high values of diphoton transverse momentum, pT, and especially at the pT larger than the diphoton invariant mass, M . In this multi-Regge kinematics region, the NLO correction is strongly suppressed, demonstrating the self-consistency of the parton Reggeization approach.

Morphological and Wear behaviour of new Al-SiCmicro-SiCnano hybrid nanocomposites fabricated through powder metallurgy

NASA Astrophysics Data System (ADS)

Arif, Sajjad; Tanwir Alam, Md; Aziz, Tariq; Ansari, Akhter H.

2018-04-01

In the present work, aluminium matrix composites reinforced with 10 wt% SiC micro particles along with x% SiC nano particles (x = 0, 1, 3, 5 and 7 wt%) were fabricated through powder metallurgy. The fabricated hybrid composites were characterized by x-ray diffractometer (XRD), scanning electron microscope (SEM), energy dispersive spectrum (EDS) and elemental mapping. The relative density, hardness and wear behaviour of all hybrid nanocomposites were studied. The influence of various control factors like SiC reinforcement, sliding distance (300, 600, 900 and 1200 m) and applied load (20, 30 and 40 N) were explored using pin-on-disc wear apparatus. The uniform distribution of micro and nano SiC particles in aluminium matrix is confirmed by elemental maps. The hardness and wear test results showed that properties of the hybrid composite containing 5 wt% nano SiC was better than other hybrid composites. Additionally, the wear loss of all hybrid nanocomposites increases with increasing sliding distance and applied load. The identification of wear phenomenon were studied through the SEM images of worn surface.

Search for a standard model Higgs boson produced in association with a top-quark pair and decaying to bottom quarks using a matrix element method

NASA Astrophysics Data System (ADS)

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Bergauer, T.; Dragicevic, M.; Erö, J.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Knünz, V.; Krammer, M.; Krätschmer, I.; Liko, D.; Mikulec, I.; Rabady, D.; Rahbaran, B.; Rohringer, H.; Schöfbeck, R.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; Bansal, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Knutsson, A.; Lauwers, J.; Luyckx, S.; Ochesanu, S.; Rougny, R.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Blekman, F.; Blyweert, S.; D'Hondt, J.; Daci, N.; Heracleous, N.; Keaveney, J.; Lowette, S.; Maes, M.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Villella, I.; Caillol, C.; Clerbaux, B.; De Lentdecker, G.; Dobur, D.; Favart, L.; Gay, A. P. R.; Grebenyuk, A.; Léonard, A.; Mohammadi, A.; Perniè, L.; Randle-conde, A.; Reis, T.; Seva, T.; Thomas, L.; Vander Velde, C.; Vanlaer, P.; Wang, J.; Zenoni, F.; Adler, V.; Beernaert, K.; Benucci, L.; Cimmino, A.; Costantini, S.; Crucy, S.; Fagot, A.; Garcia, G.; Mccartin, J.; Ocampo Rios, A. A.; Poyraz, D.; Ryckbosch, D.; Salva Diblen, S.; Sigamani, M.; Strobbe, N.; Thyssen, F.; Tytgat, M.; Yazgan, E.; Zaganidis, N.; Basegmez, S.; Beluffi, C.; Bruno, G.; Castello, R.; Caudron, A.; Ceard, L.; Da Silveira, G. G.; Delaere, C.; du Pree, T.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Nuttens, C.; Pagano, D.; Perrini, L.; Pin, A.; Piotrzkowski, K.; Popov, A.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Vizan Garcia, J. M.; Beliy, N.; Caebergs, T.; Daubie, E.; Hammad, G. H.; Júnior, W. L. Aldá; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Martins, T. Dos Reis; Molina, J.; Mora Herrera, C.; Pol, M. E.; Rebello Teles, P.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Malbouisson, H.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santaolalla, J.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Bernardes, C. A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Novaes, S. F.; Padula, Sandra S.; Aleksandrov, A.; Genchev, V.; Hadjiiska, R.; Iaydjiev, P.; Marinov, A.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Cheng, T.; Du, R.; Jiang, C. H.; Plestina, R.; Romeo, F.; Tao, J.; Wang, Z.; Asawatangtrakuldee, C.; Ban, Y.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Zhang, F.; Zhang, L.; Zou, W.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Polic, D.; Puljak, I.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Kadija, K.; Luetic, J.; Mekterovic, D.; Sudic, L.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Bodlak, M.; Finger, M.; Finger, M.; Assran, Y.; Ellithi Kamel, A.; Mahmoud, M. A.; Radi, A.; Kadastik, M.; Murumaa, M.; Raidal, M.; Tiko, A.; Eerola, P.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Mäenpää, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Locci, E.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Baffioni, S.; Beaudette, F.; Busson, P.; Chapon, E.; Charlot, C.; Dahms, T.; Dobrzynski, L.; Filipovic, N.; Florent, A.; Granier de Cassagnac, R.; Mastrolorenzo, L.; Miné, P.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Regnard, S.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Veelken, C.; Yilmaz, Y.; Zabi, A.; Agram, J.-L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J.-M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Goetzmann, C.; Le Bihan, A.-C.; Skovpen, K.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Beaupere, N.; Bernet, C.; Boudoul, G.; Bouvier, E.; Brochet, S.; Carrillo Montoya, C. A.; Chasserat, J.; Chierici, R.; Contardo, D.; Courbon, B.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Ruiz Alvarez, J. D.; Sabes, D.; Sgandurra, L.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Xiao, H.; Tsamalaidze, Z.; Autermann, C.; Beranek, S.; Bontenackels, M.; Edelhoff, M.; Feld, L.; Heister, A.; Klein, K.; Lipinski, M.; Ostapchuk, A.; Preuten, M.; Raupach, F.; Sammet, J.; Schael, S.; Schulte, J. F.; Weber, H.; Wittmer, B.; Zhukov, V.; Ata, M.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Erdmann, M.; Fischer, R.; Güth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Knutzen, S.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Mittag, G.; Millet, P.; Olschewski, M.; Padeken, K.; Papacz, P.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Teyssier, D.; Thüer, S.; Cherepanov, V.; Erdogan, Y.; Flügge, G.; Geenen, H.; Geisler, M.; Haj Ahmad, W.; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Künsken, A.; Lingemann, J.; Nowack, A.; Nugent, I. M.; Pistone, C.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Asin, I.; Bartosik, N.; Behr, J.; Behrens, U.; Bell, A. J.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Choudhury, S.; Costanza, F.; Diez Pardos, C.; Dolinska, G.; Dooling, S.; Dorland, T.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Flucke, G.; Garcia, J. Garay; Geiser, A.; Gizhko, A.; Gunnellini, P.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Katsas, P.; Kieseler, J.; Kleinwort, C.; Korol, I.; Krücker, D.; Lange, W.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Nayak, A.; Ntomari, E.; Perrey, H.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Ribeiro Cipriano, P. M.; Roland, B.; Ron, E.; Sahin, M. Ö.; Salfeld-Nebgen, J.; Saxena, P.; Schoerner-Sadenius, T.; Schröder, M.; Seitz, C.; Spannagel, S.; Vargas Trevino, A. D. R.; Walsh, R.; Wissing, C.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Erfle, J.; Garutti, E.; Goebel, K.; Görner, M.; Haller, J.; Hoffmann, M.; Höing, R. S.; Junkes, A.; Kirschenmann, H.; Klanner, R.; Kogler, R.; Lapsien, T.; Lenz, T.; Marchesini, I.; Marconi, D.; Nowatschin, D.; Ott, J.; Peiffer, T.; Perieanu, A.; Pietsch, N.; Poehlsen, J.; Poehlsen, T.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Seidel, M.; Sola, V.; Stadie, H.; Steinbrück, G.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Akbiyik, M.; Barth, C.; Baus, C.; Berger, J.; Böser, C.; Butz, E.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Frensch, F.; Giffels, M.; Gilbert, A.; Hartmann, F.; Hauth, T.; Husemann, U.; Katkov, I.; Kornmayer, A.; Lobelle Pardo, P.; Mozer, M. U.; Müller, T.; Müller, Th.; Nürnberg, A.; Quast, G.; Rabbertz, K.; Röcker, S.; Simonis, H. J.; Stober, F. M.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Markou, A.; Markou, C.; Psallidas, A.; Topsis-Giotis, I.; Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Stiliaris, E.; Tziaferi, E.; Aslanoglou, X.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Strologas, J.; Paradas, E.; Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Molnar, J.; Palinkas, J.; Szillasi, Z.; Makovec, A.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Swain, S. K.; Beri, S. B.; Bhatnagar, V.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, M.; Kumar, R.; Mittal, M.; Nishu, N.; Singh, J. B.; Kumar, Ashok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, V.; Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dutta, S.; Gomber, B.; Jain, Sa.; Jain, Sh.; Khurana, R.; Modak, A.; Mukherjee, S.; Roy, D.; Sarkar, S.; Sharan, M.; Abdulsalam, A.; Dutta, D.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Topkar, A.; Aziz, T.; Banerjee, S.; Bhowmik, S.; Chatterjee, R. M.; Dewanjee, R. K.; Dugad, S.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.; Sharma, S.; Bakhshiansohi, H.; Behnamian, H.; Etesami, S. M.; Fahim, A.; Goldouzian, R.; Khakzad, M.; Mohammadi Najafabadi, M.; Naseri, M.; Paktinat Mehdiabadi, S.; Rezaei Hosseinabadi, F.; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Selvaggi, G.; Sharma, A.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.; Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.; Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gallo, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.; Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.; Ferretti, R.; Ferro, F.; Lo Vetere, M.; Robutti, E.; Tosi, S.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Marzocchi, B.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; Tabarelli de Fatis, T.; Buontempo, S.; Cavallo, N.; Di Guida, S.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.; Azzi, P.; Bacchetta, N.; Bisello, D.; Carlin, R.; Checchia, P.; Dall'Osso, M.; Dorigo, T.; Dosselli, U.; Fanzago, F.; Gasparini, F.; Gasparini, U.; Gonella, F.; Gozzelino, A.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.; Gabusi, M.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vitulo, P.; Biasini, M.; Bilei, G. M.; Ciangottini, D.; Fanò, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Saha, A.; Santocchia, A.; Spiezia, A.; Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Donato, S.; Fedi, G.; Fiori, F.; Foà, L.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Moon, C. S.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Vernieri, C.; Barone, L.; Cavallari, F.; D'imperio, G.; Del Re, D.; Diemoz, M.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Soffi, L.; Traczyk, P.; Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Covarelli, R.; Degano, A.; Demaria, N.; Finco, L.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Pinna Angioni, G. L.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.; Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Schizzi, A.; Umer, T.; Zanetti, A.; Chang, S.; Kropivnitskaya, A.; Nam, S. K.; Kim, D. H.; Kim, G. N.; Kim, M. S.; Kim, M. S.; Kong, D. J.; Lee, S.; Oh, Y. D.; Park, H.; Sakharov, A.; Son, D. C.; Kim, T. J.; Ryu, M. S.; Kim, J. Y.; Moon, D. H.; Song, S.; Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, Y.; Lee, B.; Lee, K. S.; Park, S. K.; Roh, Y.; Yoo, H. D.; Choi, M.; Kim, J. H.; Park, I. C.; Ryu, G.; Choi, Y.; Choi, Y. K.; Goh, J.; Kim, D.; Kwon, E.; Lee, J.; Yu, I.; Juodagalvis, A.; Komaragiri, J. R.; Md Ali, M. A. B.; Wan Abdullah, W. A. T.; Casimiro Linares, E.; Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Hernandez-Almada, A.; Lopez-Fernandez, R.; Sanchez-Hernandez, A.; Carrillo Moreno, S.; Vazquez Valencia, F.; Pedraza, I.; Salazar Ibarguen, H. A.; Morelos Pineda, A.; Krofcheck, D.; Butler, P. H.; Reucroft, S.; Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Khan, W. A.; Khurshid, T.; Shoaib, M.; Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Górski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Zalewski, P.; Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.; Bargassa, P.; Beirão Da Cruz E Silva, C.; Di Francesco, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Lloret Iglesias, L.; Nguyen, F.; Rodrigues Antunes, J.; Seixas, J.; Toldaiev, O.; Vadruccio, D.; Varela, J.; Vischia, P.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Kozlov, G.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Savina, M.; Shmatov, S.; Shulha, S.; Smirnov, V.; Zarubin, A.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Kuznetsova, E.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An.; Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Pozdnyakov, I.; Safronov, G.; Semenov, S.; Spiridonov, A.; Stolin, V.; Vlasov, E.; Zhokin, A.; Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.; Belyaev, A.; Boos, E.; Bunichev, V.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.; Adzic, P.; Ekmedzic, M.; Milosevic, J.; Rekovic, V.; Alcaraz Maestre, J.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Domínguez Vázquez, D.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Fernández Ramos, J. P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Pérez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.; Albajar, C.; de Trocóniz, J. F.; Missiroli, M.; Moran, D.; Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Duarte Campderros, J.; Fernandez, M.; Gomez, G.; Graziano, A.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Piedra Gomez, J.; Rodrigo, T.; Rodríguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benaglia, A.; Bendavid, J.; Benhabib, L.; Benitez, J. F.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Colafranceschi, S.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; David, A.; De Guio, F.; De Roeck, A.; De Visscher, S.; Di Marco, E.; Dobson, M.; Dordevic, M.; Dorney, B.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Franzoni, G.; Funk, W.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Glege, F.; Guida, R.; Gundacker, S.; Guthoff, M.; Guida, R.; Hammer, J.; Hansen, M.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kortelainen, M. J.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lourenço, C.; Magini, N.; Malgeri, L.; Mannelli, M.; Marrouche, J.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Orfanelli, S.; Orsini, L.; Pape, L.; Perez, E.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pimiä, M.; Piparo, D.; Plagge, M.; Racz, A.; Rolandi, G.; Rovere, M.; Sakulin, H.; Schäfer, C.; Schwick, C.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Steggemann, J.; Stieger, B.; Stoye, M.; Takahashi, Y.; Treille, D.; Tsirou, A.; Veres, G. I.; Wardle, N.; Wöhri, H. K.; Wollny, H.; Zeuner, W. D.; Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.; Bachmair, F.; Bäni, L.; Bianchini, L.; Buchmann, M. A.; Casal, B.; Dissertori, G.; Dittmar, M.; Donegà, M.; Dünser, M.; Eller, P.; Grab, C.; Hits, D.; Hoss, J.; Kasieczka, G.; Lustermann, W.; Mangano, B.; Marini, A. C.; Marionneau, M.; Martinez Ruiz del Arbol, P.; Masciovecchio, M.; Meister, D.; Mohr, N.; Musella, P.; Nägeli, C.; Nessi-Tedaldi, F.; Pandolfi, F.; Pauss, F.; Perrozzi, L.; Peruzzi, M.; Quittnat, M.; Rebane, L.; Rossini, M.; Starodumov, A.; Takahashi, M.; Theofilatos, K.; Wallny, R.; Weber, H. A.; Amsler, C.; Canelli, M. F.; Chiochia, V.; De Cosa, A.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Ngadiuba, J.; Pinna, D.; Robmann, P.; Ronga, F. J.; Salerno, D.; Taroni, S.; Yang, Y.; Cardaci, M.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.; Chang, P.; Chang, Y. H.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Grundler, U.; Hou, W.-S.; Liu, Y. F.; Lu, R.-S.; Miñano Moya, M.; Petrakou, E.; Tsai, J. f.; Tzeng, Y. M.; Wilken, R.; Asavapibhop, B.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.; Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Guler, Y.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Kayis Topaksu, A.; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sunar Cerci, D.; Tali, B.; Topakli, H.; Vergili, M.; Zorbilmez, C.; Akin, I. V.; Bilin, B.; Bilmis, S.; Gamsizkan, H.; Isildak, B.; Karapinar, G.; Ocalan, K.; Sekmen, S.; Surat, U. E.; Yalvac, M.; Zeyrek, M.; Albayrak, E. A.; Gülmez, E.; Kaya, M.; Kaya, O.; Yetkin, T.; Cankocak, K.; Vardarlı, F. I.; Levchuk, L.; Sorokin, P.; Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; Seif El Nasr-storey, S.; Senkin, S.; Smith, V. J.; Williams, T.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Williams, T.; Womersley, W. J.; Worm, S. D.; Baber, M.; Bainbridge, R.; Buchmuller, O.; Burton, D.; Colling, D.; Cripps, N.; Dauncey, P.; Davies, G.; De Wit, A.; Della Negra, M.; Dunne, P.; Elwood, A.; Ferguson, W.; Fulcher, J.; Futyan, D.; Hall, G.; Iles, G.; Jarvis, M.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A.-M.; Malik, S.; Mathias, B.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Tapper, A.; Vazquez Acosta, M.; Virdee, T.; Zenz, S. C.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.; Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Pastika, N.; Scarborough, T.; Wu, Z.; Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.; Avetisyan, A.; Bose, T.; Fantasia, C.; Lawson, P.; Richardson, C.; Rohlf, J.; St. John, J.; Sulak, L.; Zou, D.; Alimena, J.; Berry, E.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Dhingra, N.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Sagir, S.; Sinthuprasith, T.; Speer, T.; Swanson, J.; Breedon, R.; Breto, G.; Calderon De La Barca Sanchez, M.; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Lander, R.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.; Cousins, R.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Rakness, G.; Takasugi, E.; Valuev, V.; Weber, M.; Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Ivova Rikova, M.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Luthra, A.; Malberti, M.; Negrete, M. Olmedo; Shrinivas, A.; Sumowidagdo, S.; Wimpenny, S.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Holzner, A.; Kelley, R.; Klein, D.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Tu, Y.; Vartak, A.; Welke, C.; Würthwein, F.; Yagil, A.; Zevi Della Porta, G.; Barge, D.; Bradmiller-Feld, J.; Campagnari, C.; Danielson, T.; Dishaw, A.; Dutta, V.; Flowers, K.; Franco Sevilla, M.; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Incandela, J.; Justus, C.; Mccoll, N.; Mullin, S. D.; Richman, J.; Stuart, D.; To, W.; West, C.; Yoo, J.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Pierini, M.; Spiropulu, M.; Vlimant, J. R.; Wilkinson, R.; Xie, S.; Zhu, R. Y.; Azzolini, V.; Calamba, A.; Carlson, B.; Ferguson, T.; Iiyama, Y.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.; Cumalat, J. P.; Ford, W. T.; Gaz, A.; Krohn, M.; Luiggi Lopez, E.; Nauenberg, U.; Smith, J. G.; Stenson, K.; Wagner, S. R.; Alexander, J.; Chatterjee, A.; Chaves, J.; Chu, J.; Dittmer, S.; Eggert, N.; Mirman, N.; Nicolas Kaufman, G.; Patterson, J. R.; Ryd, A.; Salvati, E.; Skinnari, L.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.; Winn, D.; Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Hanlon, J.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; Lopes De Sá, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Martinez Outschoorn, V. I.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mishra, K.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitbeck, A.; Whitmore, J.; Yang, F.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Carver, M.; Curry, D.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Field, R. D.; Fisher, M.; Furic, I. K.; Hugon, J.; Konigsberg, J.; Korytov, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rinkevicius, A.; Shchutska, L.; Snowball, M.; Sperka, D.; Yelton, J.; Zakaria, M.; Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Adams, J. R.; Adams, T.; Askew, A.; Bochenek, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.; Baarmand, M. M.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.; Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Kurt, P.; O'Brien, C.; Sandoval Gonzalez, I. D.; Silkworth, C.; Turner, P.; Varelas, N.; Bilki, B.; Clarida, W.; Dilsiz, K.; Haytmyradov, M.; Khristenko, V.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Rahmat, R.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yi, K.; Anderson, I.; Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Swartz, M.; Xiao, M.; Baringer, P.; Bean, A.; Benelli, G.; Bruner, C.; Gray, J.; Kenny, R. P.; Majumder, D.; Malek, M.; Murray, M.; Noonan, D.; Sanders, S.; Sekaric, J.; Stringer, R.; Wang, Q.; Wood, J. S.; Chakaberia, I.; Ivanov, A.; Kaadze, K.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Skhirtladze, N.; Svintradze, I.; Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Belloni, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Mignerey, A. C.; Pedro, K.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Apyan, A.; Barbieri, R.; Baty, A.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; Di Matteo, L.; Gomez Ceballos, G.; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Yoon, A. S.; Zanetti, M.; Zhukova, V.; Dahmes, B.; De Benedetti, A.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Nourbakhsh, S.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Cremaldi, L. M.; Kroeger, R.; Oliveros, S.; Perera, L.; Sanders, D. A.; Summers, D.; Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Gonzalez Suarez, R.; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Meier, F.; Ratnikov, F.; Snow, G. R.; Zvada, M.; Dolen, J.; Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Massironi, A.; Nash, D.; Orimoto, T.; Trocino, D.; Wood, D.; Zhang, J.; Anastassov, A.; Hahn, K. A.; Kubik, A.; Lusito, L.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Trovato, M.; Velasco, M.; Won, S.; Brinkerhoff, A.; Chan, K. M.; Drozdetskiy, A.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Lynch, S.; Marinelli, N.; Musienko, Y.; Pearson, T.; Planer, M.; Ruchti, R.; Valls, N.; Smith, G.; Wayne, M.; Wolf, M.; Woodard, A.; Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hart, A.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Luo, W.; Puigh, D.; Rodenburg, M.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroué, P.; Quan, X.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.; Brownson, E.; Malik, S.; Mendez, H.; Ramirez Vargas, J. E.; Barnes, V. E.; Benedetti, D.; Bortoletto, D.; Gutay, L.; Hu, Z.; Jha, M. K.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Miller, D. H.; Neumeister, N.; Primavera, F.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Zablocki, J.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.; Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Hindrichs, O.; Khukhunaishvili, A.; Korjenevski, S.; Petrillo, G.; Verzetti, M.; Vishnevskiy, D.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Mesropian, C.; Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Lath, A.; Panwalkar, S.; Park, M.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Rose, K.; Spanier, S.; York, A.; Bouhali, O.; Castaneda Hernandez, A.; Dalchenko, M.; De Mattia, M.; Dildick, S.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Krutelyov, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Patel, R.; Perloff, A.; Roe, J.; Rose, A.; Safonov, A.; Suarez, I.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kovitanggoon, K.; Kunori, S.; Lee, S. W.; Libeiro, T.; Volobouev, I.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.; Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Lin, C.; Neu, C.; Wolfe, E.; Wood, J.; Clarke, C.; Harr, R.; Karchin, P. E.; Kottachchi Kankanamge Don, C.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Dodd, L.; Duric, S.; Friis, E.; Hall-Wilton, R.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Lazaridis, C.; Levine, A.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Sarangi, T.; Savin, A.; Smith, W. H.; Taylor, D.; Vuosalo, C.; Woods, N.; CMS Collaboration

2015-06-01

A search for a standard model Higgs boson produced in association with a top-quark pair and decaying to bottom quarks is presented. Events with hadronic jets and one or two oppositely charged leptons are selected from a data sample corresponding to an integrated luminosity of 19.5 collected by the CMS experiment at the LHC in collisions at a centre-of-mass energy of 8. In order to separate the signal from the larger + jets background, this analysis uses a matrix element method that assigns a probability density value to each reconstructed event under signal or background hypotheses. The ratio between the two values is used in a maximum likelihood fit to extract the signal yield. The results are presented in terms of the measured signal strength modifier, , relative to the standard model prediction for a Higgs boson mass of 125. The observed (expected) exclusion limit at a 95 % confidence level is (3.3), corresponding to a best fit value.

Polarized excitons and optical activity in single-wall carbon nanotubes

NASA Astrophysics Data System (ADS)

Chang, Yao-Wen; Jin, Bih-Yaw

2018-05-01

The polarized excitons and optical activity of single-wall carbon nanotubes (SWNTs) are studied theoretically by π -electron Hamiltonian and helical-rotational symmetry. By taking advantage of the symmetrization, the single-particle energy and properties of a SWNT are characterized with the corresponding helical band structure. The dipole-moment matrix elements, magnetic-moment matrix elements, and the selection rules can also be derived. Based on different selection rules, the optical transitions can be assigned as the parallel-polarized, left-handed circularly-polarized, and right-handed circularly-polarized transitions, where the combination of the last two gives the cross-polarized transition. The absorption and circular dichroism (CD) spectra are simulated by exciton calculation. The calculated results are well comparable with the reported measurements. Built on the foundation, magnetic-field effects on the polarized excitons and optical activity of SWNTs are studied. Dark-bright exciton splitting and interband Faraday effect in the CD spectrum of SWNTs under an axial magnetic field are predicted. The Faraday rotation dispersion can be analyzed according to the selection rules of circular polarizations and the helical band structure.

Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions

NASA Astrophysics Data System (ADS)

Chen, Zhenhua; Chen, Xun; Wu, Wei

2013-04-01

In this series, the n-body reduced density matrix (n-RDM) approach for nonorthogonal orbitals and their applications to ab initio valence bond (VB) methods are presented. As the first paper of this series, Hamiltonian matrix elements between internally contracted VB wave functions are explicitly provided by means of nonorthogonal orbital based RDM approach. To this end, a more generalized Wick's theorem, called enhanced Wick's theorem, is presented both in arithmetical and in graphical forms, by which the deduction of expressions for the matrix elements between internally contracted VB wave functions is dramatically simplified, and the matrix elements are finally expressed in terms of tensor contractions of electronic integrals and n-RDMs of the reference VB self-consistent field wave function. A string-based algorithm is developed for the purpose of evaluating n-RDMs in an efficient way. Using the techniques presented in this paper, one is able to develop new methods and efficient algorithms for nonorthogonal orbital based many-electron theory much easier than by use of the first quantized formulism.

KANTBP 2.0: New version of a program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach

NASA Astrophysics Data System (ADS)

Chuluunbaatar, O.; Gusev, A. A.; Vinitsky, S. I.; Abrashkevich, A. G.

2008-11-01

A FORTRAN 77 program for calculating energy values, reaction matrix and corresponding radial wave functions in a coupled-channel approximation of the hyperspherical adiabatic approach is presented. In this approach, a multi-dimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on a finite interval with homogeneous boundary conditions: (i) the Dirichlet, Neumann and third type at the left and right boundary points for continuous spectrum problem, (ii) the Dirichlet and Neumann type conditions at left boundary point and Dirichlet, Neumann and third type at the right boundary point for the discrete spectrum problem. The resulting system of radial equations containing the potential matrix elements and first-derivative coupling terms is solved using high-order accuracy approximations of the finite element method. As a test desk, the program is applied to the calculation of the reaction matrix and radial wave functions for 3D-model of a hydrogen-like atom in a homogeneous magnetic field. This version extends the previous version 1.0 of the KANTBP program [O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Commun. 177 (2007) 649-675]. Program summaryProgram title: KANTBP Catalogue identifier: ADZH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 20 403 No. of bytes in distributed program, including test data, etc.: 147 563 Distribution format: tar.gz Programming language: FORTRAN 77 Computer: Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IV Operating system: OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XP RAM: This depends on the number of differential equations; the number and order of finite elements; the number of hyperradial points; and the number of eigensolutions required. The test run requires 2 MB Classification: 2.1, 2.4 External routines: GAULEG and GAUSSJ [2] Nature of problem: In the hyperspherical adiabatic approach [3-5], a multidimensional Schrödinger equation for a two-electron system [6] or a hydrogen atom in magnetic field [7-9] is reduced by separating radial coordinate ρ from the angular variables to a system of the second-order ordinary differential equations containing the potential matrix elements and first-derivative coupling terms. The purpose of this paper is to present the finite element method procedure based on the use of high-order accuracy approximations for calculating approximate eigensolutions of the continuum spectrum for such systems of coupled differential equations on finite intervals of the radial variable ρ∈[ρ,ρ]. This approach can be used in the calculations of effects of electron screening on low-energy fusion cross sections [10-12]. Solution method: The boundary problems for the coupled second-order differential equations are solved by the finite element method using high-order accuracy approximations [13]. The generalized algebraic eigenvalue problem AF=EBF with respect to pair unknowns ( E,F) arising after the replacement of the differential problem by the finite-element approximation is solved by the subspace iteration method using the SSPACE program [14]. The generalized algebraic eigenvalue problem (A-EB)F=λDF with respect to pair unknowns ( λ,F) arising after the corresponding replacement of the scattering boundary problem in open channels at fixed energy value, E, is solved by the LDL factorization of symmetric matrix and back-substitution methods using the DECOMP and REDBAK programs, respectively [14]. As a test desk, the program is applied to the calculation of the reaction matrix and corresponding radial wave functions for 3D-model of a hydrogen-like atom in a homogeneous magnetic field described in [9] on finite intervals of the radial variable ρ∈[ρ,ρ]. For this benchmark model the required analytical expressions for asymptotics of the potential matrix elements and first-derivative coupling terms, and also asymptotics of radial solutions of the boundary problems for coupled differential equations have been produced with help of a MAPLE computer algebra system. Restrictions: The computer memory requirements depend on: the number of differential equations; the number and order of finite elements; the total number of hyperradial points; and the number of eigensolutions required. Restrictions due to dimension sizes may be easily alleviated by altering PARAMETER statements (see Section 3 and [1] for details). The user must also supply subroutine POTCAL for evaluating potential matrix elements. The user should also supply subroutines ASYMEV (when solving the eigenvalue problem) or ASYMS0 and ASYMSC (when solving the scattering problem) which evaluate asymptotics of the radial wave functions at left and right boundary points in case of a boundary condition of the third type for the above problems. Running time: The running time depends critically upon: the number of differential equations; the number and order of finite elements; the total number of hyperradial points on interval [ ρ,ρ]; and the number of eigensolutions required. The test run which accompanies this paper took 2 s without calculation of matrix potentials on the Intel Pentium IV 2.4 GHz. References: [1] O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Commun. 177 (2007) 649-675; http://cpc.cs.qub.ac.uk/summaries/ADZHv10.html. [2] W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986. [3] J. Macek, J. Phys. B 1 (1968) 831-843. [4] U. Fano, Rep. Progr. Phys. 46 (1983) 97-165. [5] C.D. Lin, Adv. Atom. Mol. Phys. 22 (1986) 77-142. [6] A.G. Abrashkevich, D.G. Abrashkevich, M. Shapiro, Comput. Phys. Commun. 90 (1995) 311-339. [7] M.G. Dimova, M.S. Kaschiev, S.I. Vinitsky, J. Phys. B 38 (2005) 2337-2352. [8] O. Chuluunbaatar, A.A. Gusev, V.L. Derbov, M.S. Kaschiev, L.A. Melnikov, V.V. Serov, S.I. Vinitsky, J. Phys. A 40 (2007) 11485-11524. [9] O. Chuluunbaatar, A.A. Gusev, V.P. Gerdt, V.A. Rostovtsev, S.I. Vinitsky, A.G. Abrashkevich, M.S. Kaschiev, V.V. Serov, Comput. Phys. Commun. 178 (2007) 301 330; http://cpc.cs.qub.ac.uk/summaries/AEAAv10.html. [10] H.J. Assenbaum, K. Langanke, C. Rolfs, Z. Phys. A 327 (1987) 461-468. [11] V. Melezhik, Nucl. Phys. A 550 (1992) 223-234. [12] L. Bracci, G. Fiorentini, V.S. Melezhik, G. Mezzorani, P. Pasini, Phys. Lett. A 153 (1991) 456-460. [13] A.G. Abrashkevich, D.G. Abrashkevich, M.S. Kaschiev, I.V. Puzynin, Comput. Phys. Commun. 85 (1995) 40-64. [14] K.J. Bathe, Finite Element Procedures in Engineering Analysis, Englewood Cliffs, Prentice-Hall, New York, 1982.

Texture zeros and hierarchical masses from flavour (mis)alignment

NASA Astrophysics Data System (ADS)

Hollik, W. G.; Saldana-Salazar, U. J.

2018-03-01

We introduce an unconventional interpretation of the fermion mass matrix elements. As the full rotational freedom of the gauge-kinetic terms renders a set of infinite bases called weak bases, basis-dependent structures as mass matrices are unphysical. Matrix invariants, on the other hand, provide a set of basis-independent objects which are of more relevance. We employ one of these invariants to give a new parametrisation of the mass matrices. By virtue of it, one gains control over its implicit implications on several mass matrix structures. The key element is the trace invariant which resembles the equation of a hypersphere with a radius equal to the Frobenius norm of the mass matrix. With the concepts of alignment or misalignment we can identify texture zeros with certain alignments whereas Froggatt-Nielsen structures in the matrix elements are governed by misalignment. This method allows further insights of traditional approaches to the underlying flavour geometry.

A Technique for Mapping Characteristic Lengths to Preserve Energy Dissipated via Strain Softening in a Multiscale Analysis

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Bednarcyk, Brett A.; Arnold, Steven M.

2014-01-01

It is often advantageous to account for the microstructure of the material directly using multiscale modeling. For computational tractability, an idealized repeating unit cell (RUC) is used to capture all of the pertinent features of the microstructure. Typically, the RUC is dimensionless and depends only on the relative volume fractions of the different phases in the material. This works well for non-linear and inelastic behavior exhibiting a positive-definite constitutive response. Although, once the material exhibits strain softening, or localization, a mesh objective failure theories, such as smeared fracture theories, nodal and element enrichment theories (XFEM), cohesive elements or virtual crack closure technique (VCCT), can be utilized at the microscale, but the dimensions of the RUC must then be defined. One major challenge in multiscale progressive damage modeling is relating the characteristic lengths across the scales in order to preserve the energy that is dissipated via localization at the microscale. If there is no effort to relate the size of the macroscale element to the microscale RUC, then the energy that is dissipated will remain mesh dependent at the macroscale, even if it is regularized at the microscale. Here, a technique for mapping characteristic lengths across the scales is proposed. The RUC will be modeled using the generalized method of cells (GMC) micromechanics theory, and local failure in the matrix constituent subcells will be modeled using the crack band theory. The subcell characteristic lengths used in the crack band calculations will be mapped to the macroscale finite element in order to regularize the local energy in a manner consistent with the global length scale. Examples will be provided with and without the regularization, and they will be compared to a baseline case where the size and shape of the element and RUC are coincident (ensuring energy is preserved across the scales).

Excited helium under high pressures in the bulk and in nanobubbles

NASA Astrophysics Data System (ADS)

Pyper, N. C.; Naginey, T. C.; Nellist, P. D.; Whelan, Colm T.

2017-08-01

We systematically investigate the effects of intense pressures on the excitation energies of helium trapped in bubbles in order to deepen our understanding of the fundamental physics of atoms in extreme conditions. The ? excitation energy of a confined helium atom is known to differ from that of a free atom being greater in both the bulk liquid or solid or a bubble confined in a metallic matrix state. We compare calculations for the energy shift with both laboratory experiments for bulk systems and results derived from scanning transmission electron microscope (STEM) studies of helium nanobubbles embedded in different matrices. We find excellent agreement between our calculations and the latest extensive measurements in the bulk. However, we find significant discrepancies when we compare with results deduced using the 'standard' approach for analysing STEM data. Here, we show the scattering matrix element determining the intensity of this excitation in a STEM experiment is significantly affected by the same environmental factors that shift the excitation energy. Consequently, there is a serious theoretical inconsistency in the way the STEM results are calculated, in that the 'standard' approach depends on a supposedly known ? scattering cross section, whereas we show here that this cross section is itself dependent on the environment. Correcting for this inconsistency does not, in itself, improve agreement.

Nuclear physics from Lattice QCD

NASA Astrophysics Data System (ADS)

Shanahan, Phiala

2017-09-01

I will discuss the current state and future scope of numerical Lattice Quantum Chromodynamics (LQCD) calculations of nuclear matrix elements. The goal of the program is to provide direct QCD calculations of nuclear observables relevant to experimental programs, including double-beta decay matrix elements, nuclear corrections to axial matrix elements relevant to long-baseline neutrino experiments and nuclear sigma terms needed for theory predictions of dark matter cross-sections at underground detectors. I will discuss the progress and challenges on these fronts, and also address recent work constraining a gluonic analogue of the EMC effect, which will be measurable at a future electron-ion collider.

On the Feynman-Hellmann theorem in quantum field theory and the calculation of matrix elements

DOE PAGES

Bouchard, Chris; Chang, Chia Cheng; Kurth, Thorsten; ...

2017-07-12

In this paper, the Feynman-Hellmann theorem can be derived from the long Euclidean-time limit of correlation functions determined with functional derivatives of the partition function. Using this insight, we fully develop an improved method for computing matrix elements of external currents utilizing only two-point correlation functions. Our method applies to matrix elements of any external bilinear current, including nonzero momentum transfer, flavor-changing, and two or more current insertion matrix elements. The ability to identify and control all the systematic uncertainties in the analysis of the correlation functions stems from the unique time dependence of the ground-state matrix elements and the fact that all excited states and contact terms are Euclidean-time dependent. We demonstrate the utility of our method with a calculation of the nucleon axial charge using gradient-flowed domain-wall valence quarks on themore » $$N_f=2+1+1$$ MILC highly improved staggered quark ensemble with lattice spacing and pion mass of approximately 0.15 fm and 310 MeV respectively. We show full control over excited-state systematics with the new method and obtain a value of $$g_A = 1.213(26)$$ with a quark-mass-dependent renormalization coefficient.« less

Method of determining lanthanidies in a transition element host

DOEpatents

De Kalb, Edward L.; Fassel, Velmer A.

1976-02-03

A phosphor composition contains a lanthanide activator element within a host matrix having a transition element as a major component. The host matrix is composed of certain rare earth phosphates or vanadates such as YPO.sub.4 with a portion of the rare earth replaced with one or more of the transition elements. On X-ray or other electromagnetic excitation, trace lanthanide impurities or additives within the phosphor are spectrometrically determined from their characteristic luminescence.

An approach for the assessment of the statistical aspects of the SEA coupling loss factors and the vibrational energy transmission in complex aircraft structures: Experimental investigation and methods benchmark

NASA Astrophysics Data System (ADS)

Bouhaj, M.; von Estorff, O.; Peiffer, A.

2017-09-01

In the application of Statistical Energy Analysis "SEA" to complex assembled structures, a purely predictive model often exhibits errors. These errors are mainly due to a lack of accurate modelling of the power transmission mechanism described through the Coupling Loss Factors (CLF). Experimental SEA (ESEA) is practically used by the automotive and aerospace industry to verify and update the model or to derive the CLFs for use in an SEA predictive model when analytical estimates cannot be made. This work is particularly motivated by the lack of procedures that allow an estimate to be made of the variance and confidence intervals of the statistical quantities when using the ESEA technique. The aim of this paper is to introduce procedures enabling a statistical description of measured power input, vibration energies and the derived SEA parameters. Particular emphasis is placed on the identification of structural CLFs of complex built-up structures comparing different methods. By adopting a Stochastic Energy Model (SEM), the ensemble average in ESEA is also addressed. For this purpose, expressions are obtained to randomly perturb the energy matrix elements and generate individual samples for the Monte Carlo (MC) technique applied to derive the ensemble averaged CLF. From results of ESEA tests conducted on an aircraft fuselage section, the SEM approach provides a better performance of estimated CLFs compared to classical matrix inversion methods. The expected range of CLF values and the synthesized energy are used as quality criteria of the matrix inversion, allowing to assess critical SEA subsystems, which might require a more refined statistical description of the excitation and the response fields. Moreover, the impact of the variance of the normalized vibration energy on uncertainty of the derived CLFs is outlined.

Excitation energies of particle-hole states in {sup 208}Pb and the surface delta interaction

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

Heusler, A., E-mail: A.Heusler@mpi-hd.mpg.de; Jolos, R. V., E-mail: Jolos@theor.jinr.ru; Brentano, P. von, E-mail: Brentano@ikp.uni-koeln.de

2013-07-15

The schematic shell model without residual interaction (SSM) assumes the same excitation energy for all spins in each particle-hole configuration multiplet. In {sup 208}Pb, more than forty states are known to contain almost the full strength of a single particle-hole configuration. The experimental excitation energy for a state with a certain spin differs from the energy predicted by the SSM by -0.2 to +0.6 MeV. The multiplet splitting is calculated with the surface delta interaction; it corresponds to the diagonal matrix element of the residual interaction in the SSM. For states containing more than 90% strength of a certain configurationmore » and for the centroid of several completely observed configurations, the calculated multiplet splitting often approximates the experimental excitation energy within 30 keV. The strong mixing within some pairs of states containing the full strengths of two configurations is explained.« less

The light-front gauge-invariant energy-momentum tensor

DOE PAGES

Lorce, Cedric

2015-08-11

In this study, we provide for the first time a complete parametrization for the matrix elements of the generic asymmetric, non-local and gauge-invariant canonical energy-momentum tensor, generalizing therefore former works on the symmetric, local and gauge-invariant kinetic energy-momentum tensor also known as the Belinfante-Rosenfeld energy-momentum tensor. We discuss in detail the various constraints imposed by non-locality, linear and angular momentum conservation. We also derive the relations with two-parton generalized and transverse-momentum dependent distributions, clarifying what can be learned from the latter. In particular, we show explicitly that two-parton transverse-momentum dependent distributions cannot provide any model-independent information about the parton orbitalmore » angular momentum. On the way, we recover the Burkardt sum rule and obtain similar new sum rules for higher-twist distributions.« less

Simultaneous increase in strength and ductility by decreasing interface energy between Zn and Al phases in cast Al-Zn-Cu alloy.

PubMed

Han, Seung Zeon; Choi, Eun-Ae; Park, Hyun Woong; Lim, Sung Hwan; Lee, Jehyun; Ahn, Jee Hyuk; Hwang, Nong-Moon; Kim, Kwangho

2017-09-22

Cast-Al alloys that include a high amount of the second element in their matrix have comparatively high strength but low ductility because of the high volume fraction of strengthening phases or undesirable inclusions. Al-Zn alloys that have more than 30 wt% Zn have a tensile strength below 300 MPa, with elongation under 5% in the as-cast state. However, we found that after substitution of 2% Zn by Cu, the tensile strength of as-cast Al-Zn-Cu alloys was 25% higher and ductility was four times higher than for the corresponding Al-35% Zn alloy. Additionally, for the Al-43% Zn alloy with 2% Cu after 1 h solution treatment at 400 °C and water quenching, the tensile strength unexpectedly reached values close to 600 MPa. For the Al-33% Zn alloy with 2% Cu, the tensile strength was 500 MPa with 8% ductility. The unusual trends of the mechanical properties of Al-Zn alloys with Cu addition observed during processing from casting to the subsequent solution treatment were attributed to the precipitation of Zn in the Al matrix. The interface energy between the Zn particles and the Al matrix decreased when using a solution of Cu in Zn.

Significantly improved dielectric performances of nanocomposites via loading two-dimensional core-shell structure Bi2Te3@SiO2 nanosheets

NASA Astrophysics Data System (ADS)

Chen, Jianwen; Wang, Xiucai; Yu, Xinmei; Fan, Yun; Duan, Zhikui; Jiang, Yewen; Yang, Faquan; Zhou, Yuexia

2018-07-01

Polymer/semiconductor-insulator nanocomposites can display high dielectric constants with a relatively low dissipation factor under low electric fields, and thus seem to promising for high energy density capacitors. Here, a novel nanocomposite films is developed by loading two-dimensional (2D) core-shell structure Bi2Te3@SiO2 nanosheets in the poly (vinylidene fluoride-hexafluoro propylene) (P(VDF-HFP)) polymer matrix. The 2D Bi2Te3 nanosheets were prepared through simple microwave-assisted method. The experimental results suggesting that the SiO2 shell layer between the fillers and polymer matrix could effectively improve the dielectric constant, dielectric loss, AC conductivity, and breakdown strength of composites films. The composite films load with 10 vol.% 2D Bi2Te3@SiO2 nanosheets exhibits a high dielectric constant of 70.3 at 1 kHz and relatively low dielectric loss of 0.058 at 1 kHz. The finite element simulation of electric field and electric current density distribution revealed that the SiO2 shell layer between the fillers and polymer matrix could effectively improve the energy loss, local electric field strength, and breakdown strength of composite films. Therefore, this work will provide a promising route to achieve high-performance capacitors.

Propagation of Circularly Polarized Light Through a Two-Dimensional Random Medium

NASA Astrophysics Data System (ADS)

Gorodnichev, E. E.

2017-12-01

The problem of small-angle multiple-scattering of circularly polarized light in a two-dimensional medium with large fiberlike inhomogeneities is studied. The attenuation lengths for elements the density matrix are calculated. It is found that with increasing the sample thickness the intensity of waves polarized along the fibers decays faster than the other density matrix elements. With further increase in the thickness, the off-diagonal element which is responsible for correlation between the cross-polarized waves dissapears. In the case of very thick samples the scattered field proves to be polarized perpendicular to the fibers. It is shown that the difference in the attenuation lengths of the density matrix elements results in a non-monotonic depth dependence of the degree of polarization.

Computationally Efficient Modeling and Simulation of Large Scale Systems

NASA Technical Reports Server (NTRS)

Jain, Jitesh (Inventor); Koh, Cheng-Kok (Inventor); Balakrishnan, Vankataramanan (Inventor); Cauley, Stephen F (Inventor); Li, Hong (Inventor)

2014-01-01

A system for simulating operation of a VLSI interconnect structure having capacitive and inductive coupling between nodes thereof, including a processor, and a memory, the processor configured to perform obtaining a matrix X and a matrix Y containing different combinations of passive circuit element values for the interconnect structure, the element values for each matrix including inductance L and inverse capacitance P, obtaining an adjacency matrix A associated with the interconnect structure, storing the matrices X, Y, and A in the memory, and performing numerical integration to solve first and second equations.

Improved search for heavy neutrinos in the decay π → e ν

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

Aguilar-Arevalo, A.; Aoki, M.; Blecher, M.

In this study, a search for massive neutrinos has been made in the decay π + → e +ν. No evidence was found for extra peaks in the positron energy spectrum indicative of pion decays involving massive neutrinos (π → e +ν h). Upper limits (90 % C.L.) on the neutrino mixing matrix element |U ei| 2 in the neutrino mass region 60–135 MeV/c 2 were set, which are an order of magnitude improvement over previous results.

Improved search for heavy neutrinos in the decay π →e ν

NASA Astrophysics Data System (ADS)

Aguilar-Arevalo, A.; Aoki, M.; Blecher, M.; Britton, D. I.; Vom Bruch, D.; Bryman, D. A.; Chen, S.; Comfort, J.; Cuen-Rochin, S.; Doria, L.; Gumplinger, P.; Hussein, A.; Igarashi, Y.; Ito, S.; Kettell, S.; Kurchaninov, L.; Littenberg, L. S.; Malbrunot, C.; Mischke, R. E.; Numao, T.; Protopopescu, D.; Sher, A.; Sullivan, T.; Vavilov, D.; Pienu Collaboration

2018-04-01

A search for massive neutrinos has been made in the decay π+→e+ν . No evidence was found for extra peaks in the positron energy spectrum indicative of pion decays involving massive neutrinos (π →e+νh ). Upper limits (90% C.L.) on the neutrino mixing matrix element |Ue i|2 in the neutrino mass region 60 - 135 MeV /c2 were set and are an order of magnitude improvement over previous results.

Electron capture in collisions of N^+ with H and H^+ with N

NASA Astrophysics Data System (ADS)

Lin, C. Y.; Stancil, P. C.; Gu, J. P.; Buenker, R. J.; Kimura, M.

2004-05-01

Charge transfer processes due to collisions of N^+ with atomic hydrogen and H^+ with atomic nitrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potential curves and nonadiabatic radial and rotational coupling matrix elements obtained with the multireference single- and double-excitation configuration interaction approach. Total and state-selective cross sections for the energy range 0.1-500 eV/u will be presented and compared with existing experimental and theoretical data.

Calculating Rayleigh scattering amplitudes from 100 eV to 10 MeV. [100 eV to 10 MeV

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

Parker, J.C.; Reynaud, G.W.; Botto, D.J.

1979-05-01

An attempt is made to explain how to calculate the contribution to elastic photon-atom scattering due to Rayleigh scattering (the scattering off bound electrons) in the photon energy range 100 eV less than or equal to W less than or equal to 10 MeV. All intermediate calculations are described, including the calculation of the potential, bound state wave functions, matrix elements, and final cross sections. 12 references. (JFP)

Improved search for heavy neutrinos in the decay π → e ν

DOE PAGES

Aguilar-Arevalo, A.; Aoki, M.; Blecher, M.; ...

2018-04-17

In this study, a search for massive neutrinos has been made in the decay π + → e +ν. No evidence was found for extra peaks in the positron energy spectrum indicative of pion decays involving massive neutrinos (π → e +ν h). Upper limits (90 % C.L.) on the neutrino mixing matrix element |U ei| 2 in the neutrino mass region 60–135 MeV/c 2 were set, which are an order of magnitude improvement over previous results.

Trace element analysis of extraterrestrial metal samples by inductively coupled plasma mass spectrometry: the standard solutions and digesting acids.

PubMed

Wang, Guiqin; Wu, Yangsiqian; Lin, Yangting

2016-02-28

Nearly 99% of the total content of extraterrestrial metals is composed of Fe and Ni, but with greatly variable trace element contents. The accuracy obtained in the inductively coupled plasma mass spectrometry (ICP-MS) analysis of solutions of these samples can be significantly influenced by matrix contents, polyatomic ion interference, and the concentrations of external standard solutions. An ICP-MS instrument (X Series 2) was used to determine 30 standard solutions with different concentrations of trace elements, and different matrix contents. Based on these measurements, the matrix effects were determined. Three iron meteorites were dissolved separately in aqua regia and HNO3. Deviations due to variation of matrix contents in the external standard solutions were evaluated and the analysis results of the two digestion methods for iron meteorites were assessed. Our results show obvious deviations due to unmatched matrix contents in the external standard solutions. Furthermore, discrepancy in the measurement of some elements was found between the sample solutions prepared with aqua regia and HNO3, due to loss of chloride during sample preparation and/or incomplete digestion of highly siderophile elements in iron meteorites. An accurate ICP-MS analysis method for extraterrestrial metal samples has been established using external standard solutions with matched matrix contents and digesting the samples with HNO3 and aqua regia. Using the data from this work, the Mundrabilla iron meteorite previously classified as IAB-ung is reclassified as IAB-MG. Copyright © 2016 John Wiley & Sons, Ltd.

Distribution of toxic elements in teeth treated with amalgam using μ-energy dispersive X-ray fluorescence

NASA Astrophysics Data System (ADS)

Guerra, M.; Ferreira, C.; Carvalho, M. L.; Santos, J. P.; Pessanha, S.

2016-08-01

Over the years, the presence of mercury in amalgam fillings has raised some safety concerns. Amalgam is one of the most commonly used tooth fillings and contains approximately 50% of elemental mercury and 50% of other metals, mostly silver, tin and copper. Amalgam can release small amounts of mercury vapor over time, and patients can absorb these vapors by inhaling or ingesting them. In this study, 10 human teeth treated with dental amalgam were analyzed using energy dispersive X-ray fluorescence (EDXRF) to study the diffusion of its constituents, Ag, Cu, Sn and Hg. The used EDXRF setup, makes use of a polycapillary lens to focus radiation up to 25 μm allowing the mapping of the elemental distribution in the samples. Quantification was performed using the inbuilt software based on the Fundamental Parameters method for bulk samples, considering a hydroxyapatite matrix. The teeth were longitudinally cut and each slice was scanned from the surface enamel to the inner region (dentin and pulp cavity). Mercury concentration profiles show strong levels of this element close to the amalgam region, decreasing significantly in the dentin, and increasing again up to 40,000 μg·g- 1 in the cavity were the pulp used to exist when the tooth was vital.

Analysis of the LSC microbunching instability in MaRIE linac reference design

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

Yampolsky, Nikolai

In this report we estimate the effect of the microbunching instability in the MaRIE XFEL linac. The reference design for the linac is described in a separate report. The parameters of the L1, L2, and L3 linacs as well as BC1 and BC2 bunch compressors were the same as in the referenced report. The beam dynamics was assumed to be linear along the accelerator (which is a reasonable assumption for estimating the effect of the microbunching instability). The parameters of the bunch also match the parameters described in the referenced report. Additionally, it was assumed that the beam radius ismore » equal to R = 100 m and does not change along linac. This assumption needs to be revisited at later studies. The beam dynamics during acceleration was accounted in the matrix formalism using a Matlab code. The input parameters for the linacs are: RF peak gradient, RF frequency, RF phase, linac length, and initial beam energy. The energy gain and the imposed chirp are calculated based on the RF parameters self-consistently. The bunch compressors are accounted in the matrix formalism as well. Each chicane is characterized by the beam energy and the R56 matrix element. It was confirmed that the linac and beam parameters described previously provide two-stage bunch compression with compression ratios of 10 and 20 resulting in the bunch of 3kA peak current.« less

Data on Molluscan Shells in parts of Nellore Coast, southeast coast of India.

PubMed

Lakshmanna, B; Jayaraju, N; Prasad, T Lakshmi; Sreenivasulu, G; Nagalakshmi, K; Kumar, M Pramod; Madakka, M

2018-02-01

X-ray diffraction (XRD), Scanning Electron Microscope-Energy Dispersive Spectroscopy (SEM-EDS), and Fourier Transform Infrared Spectroscopy (FT-IR), were applied to analyze the organic matrix of two Molluscan shells . The Mollusca shells are mineral structure and calcium carbonate crystallized as aragonite. The FT-IR spectra showed Alkyl Halide, Alkanes, Alcohols, Amides, Aromatic, and Hydroxyl groups in the organic matrix of the whole (organic and mineral) Molluscan shells. SEM images of particles of the two Molluscan shells at different magnifications were taken. The morphologies of the samples show a flake like structures with irregular grains, their sizes are at micrometric scale and the chemical analysis of EDS indicated that the major elements of Cardita and Gastropoda were C, O, and Ca, consistent with the results of XRD analysis. The results of the analysis of the EDS spectra of the shells showed that the content of most of the powder composition of shells is the element carbon, calcium oxygen, aluminium, and lead peaks that appear on the Cardita and Gastropoda and shells powders tap EDS spectra. The present work examined organic matrix of the selected shells of the heavily polluted and light polluted sites, along Nellore Coast, South East Coast of India. The heavily polluted sites have significantly thickened shells. The data demonstrated the sensitivity of this abundant and widely distributed intertidal fragile environment.

Analysis of transition-metal acetylacetonate complexes by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.

PubMed

Wyatt, Mark F; Havard, Stephen; Stein, Bridget K; Brenton, A Gareth

2008-01-01

Transition-metal acetylacetonate complexes of the form Metal(acac)(2), where Metal = Fe(II), Co(II), Ni(II), Cu(II), and Zn(II), and Metal(acac)(3), where Metal = V(III), Cr(III), Mn(III), Fe(III), and Co(III), were investigated by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS). The data was acquired using the aprotic, electron transfer matrix, 2-[(2E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]malononitrile (DCTB), and the observation of positive radical ions is shown clearly to depend on the metal element and the oxidation state it occupies. The ionization energy of DCTB was calculated to be 8.08 eV by density functional theory methods, which is notably lower than the experimental value, but within the range of other computational values. This value is very close to those of the analytes, so the existing electron transfer mechanism which is based on the ionization energies of the matrix and analyte, cannot be used predictively. Similarly, the data neither proves nor disproves the validity of the existing electron transfer ionization mechanism, with respect to metal coordination complexes without strong chromophores. In this case, periodic trends may be more useful in explaining the observed species and the prediction of species from sets of similar complexes. The addition of a sodium salt benefits the MALDI-TOFMS characterization of certain compounds studied, but the benefit of the addition of ammonium or silver salts is negligible.

Filaments in Carbonaceous Meteorites: Mineral Crystals, Modern Bio-Contaminants or Indigenous Microfossils of Trichomic Prokaryotes?

NASA Technical Reports Server (NTRS)

Hoover, Richard B.; Borisyak, A. A.

2011-01-01

Environmental (ESEM) and Field Emission Scanning Electron Microscopy (FESEM) investigations have resulted in the detection of a large number of complex filaments in a variety of carbonaceous meteorites. Many of the filaments were observed to be clearly embedded the rock matrix of freshly fractured interior surfaces of the meteorites. The high resolution images obtained combined with tilt and rotation of the stage provide 3-dimensional morphological and morphometric data for the filaments. Calibrated Energy Dispersive X-ray Spectroscopy (EDS) and 2-D elemental X-ray maps have provided information on the chemical compositions of the filaments and the minerals of the associated meteorite rock matrix. These observations are used to evaluate diverse hypotheses regarding the possible abiotic or biogenic nature of the filaments found embedded in these meteorites.

Computationally efficient modeling and simulation of large scale systems

NASA Technical Reports Server (NTRS)

Jain, Jitesh (Inventor); Cauley, Stephen F. (Inventor); Li, Hong (Inventor); Koh, Cheng-Kok (Inventor); Balakrishnan, Venkataramanan (Inventor)

2010-01-01

A method of simulating operation of a VLSI interconnect structure having capacitive and inductive coupling between nodes thereof. A matrix X and a matrix Y containing different combinations of passive circuit element values for the interconnect structure are obtained where the element values for each matrix include inductance L and inverse capacitance P. An adjacency matrix A associated with the interconnect structure is obtained. Numerical integration is used to solve first and second equations, each including as a factor the product of the inverse matrix X.sup.1 and at least one other matrix, with first equation including X.sup.1Y, X.sup.1A, and X.sup.1P, and the second equation including X.sup.1A and X.sup.1P.

Symmetrical or Non-Symmetrical Debonds at Fiber-Matrix Interfaces: A Study by BEM and Finite Fracture Mechanics on Elastic Interfaces

NASA Astrophysics Data System (ADS)

Muñoz-Reja, Mar; Távara, Luis; Mantič, Vladislav

A recently proposed criterion is used to study the behavior of debonds produced at a fiber-matrix interface. The criterion is based on the Linear Elastic-(Perfectly) Brittle Interface Model (LEBIM) combined with a Finite Fracture Mechanics (FFM) approach, where the stress and energy criteria are suitably coupled. Special attention is given to the discussion about the symmetry of the debond onset and growth in an isolated single fiber specimen under uniaxial transverse tension. A common composite material system, glass fiber-epoxy matrix, is considered. The present methodology uses a two-dimensional (2D) Boundary Element Method (BEM) code to carry out the analysis of interface failure. The present results show that a non-symmetrical interface crack configuration (debonds at one side only) is produced by a lower critical remote load than the symmetrical case (debonds at both sides). Thus, the non-symmetrical solution is the preferred one, which agrees with the experimental evidences found in the literature.

Interacting quasi-band model for electronic states in compound semiconductor alloys: Zincblende structure

NASA Astrophysics Data System (ADS)

Shinozuka, Yuzo; Oda, Masato

2015-09-01

The interacting quasi-band model proposed for electronic states in simple alloys is extended for compound semiconductor alloys with general lattice structures containing several atoms per unit cell. Using a tight-binding model, a variational electronic wave function for quasi-Bloch states yields a non-Hermitian Hamiltonian matrix characterized by matrix elements of constituent crystals and concentration of constituents. Solving secular equations for each k-state yields the alloy’s energy spectrum for any type of randomness and arbitrary concentration. The theory is used to address III-V (II-VI) alloys with a zincblende lattice with crystal band structures well represented by the sp3s* model. Using the resulting 15 × 15 matrix, the concentration dependence of valence and conduction bands is calculated in a unified scheme for typical alloys: Al1-xGaxAs, GaAs1-xPx, and GaSb1-xPx. Results agree well with experiments and are discussed with respect to the concentration dependence, direct-indirect gap transition, and band-gap-bowing origin.

Electrothermal atomisation atomic absorption conditions and matrix modifications for determining antimony, arsenic, bismuth, cadmium, gallium, gold, indium, lead, molybdenum, palladium, platinum, selenium, silver, tellurium, thallium and tin following back-extraction of organic aminohalide extracts

USGS Publications Warehouse

Clark, J.R.

1986-01-01

A multi-element organic-extraction and back-extraction procedure, that had been developed previously to eliminate matrix interferences in the determination of a large number of trace elements in complex materials such as geological samples, produced organic and aqueous solutions that were complex. Electrothermal atomisation atomic absorption conditions and matrix modifications have been developed for 13 of the extracted elements (Ag, As, Au, Bi, Cd, Ga, In, Pb, Sb, Se, Sn, Te and Tl) that enhance sensitivity, alleviate problems resulting from the complex solutions and produce acceptable precision. Platinum, Pd and Mo can be determined without matrix modification directly on the original unstripped extracts.

Metal-doped semiconductor nanoparticles and methods of synthesis thereof

NASA Technical Reports Server (NTRS)

Ren, Zhifeng (Inventor); Wang, Wenzhong (Inventor); Chen, Gang (Inventor); Dresselhaus, Mildred (Inventor); Poudel, Bed (Inventor); Kumar, Shankar (Inventor)

2009-01-01

The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

Metal-doped semiconductor nanoparticles and methods of synthesis thereof

DOEpatents

Ren, Zhifeng [Newton, MA; Chen, Gang [Carlisle, MA; Poudel, Bed [West Newton, MA; Kumar, Shankar [Newton, MA; Wang, Wenzhong [Beijing, CN; Dresselhaus, Mildred [Arlington, MA

2009-09-08

The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

Recent Developments in SHERPA

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

Archibald, Jennifer; /Durham U., IPPP; Gleisberg, Tanju

2011-11-15

Some recent QCD-related developments in the SHERPA event generator are presented. In the past decades, event generators such as PYTHIA [1, 2] and HERWIG [3, 4] have been central for nearly all physics analyses at particle physics experiments at the high-energy frontier. This will also hold true at the LHC, where a large number of interesting signals for new particles or new phenomena (the Higgs boson or any other manifestation of the mechanism behind electro-weak symmetry breaking, supersymmetry, extra dimensions etc.) is hampered by a plethora of severe, sometimes overwhelming backgrounds. Nearly all of them are largely influenced by QCD.more » Therefore it seems fair to say that the success of the LHC in finding new physics may very well depend on a deep and detailed understanding of old physics, like QCD. Examples for this include, among others, the central-jet veto for the vector boson fusion channel for Higgs production or topologies, where gauge bosons emerge in association with many jets, a background for many search channels. In a reflection on increased needs by the experimental community, aiming at higher precision, incorporation of new physics models and so on, the work horses of old have undergone serious renovation efforts, resulting in new, improved versions of the respective codes, namely PYTHIA8 [5] and HERWIG++ [6]. In addition a completely new code, SHERPA [7], has been constructed and is in the process of maturing. The status of this code is the topic of this contribution. SHERPA's hallmark property is the inclusion of higher-order tree-level QCD contributions, leading to an improved modelling of jet production. They are introduced through a full-fledged matrix element generator, AMEGIC++ [8], which is capable of generating matrix elements and corresponding phase space mappings for processes with multi-particle final states in various models, including the Standard Model, anomalous gauge triple and quadruple couplings according to [9, 10], the Minimal Supersymmetric Standard Model with Feynman rules from [11], the ADD-model of extra dimensions [12, 13], and a model with an extra U(1) singlet coupling to the Higgs boson only [14]. The code has been thoroughly tested and validated [15]. This code, however, is limited, especially in the treatment of many ({ge} 6) external QCD particles. Therefore, in the near future, SHERPA will incorporate another, new matrix element generator, COMIX, which is based on Berends-Giele recursion relations [16] and color-dressing [17] rather than color-ordering. In Tabs. 1 and 2 some example cross sections for gg {yields} ng at fixed energies and pp {yields} b{bar b} + n jets obtained with this program are exhibited and compared to those from other programs. In addition, concerning the calculation of higher-order matrix elements and cross sections, there have been first steps towards an automation of such calculations at truly next-to leading order accuracy. They manifest themselves in the implementation of a procedure [19] to fully automatically construct and evaluate Catani-Seymour dipole subtraction terms [20] for the real part of such NLO calculations. The results from the matrix element calculations are merged with the subsequent parton shower through the formalism of [21, 22]. The results of its implementation in SHERPA [23] has recently been compared with other algorithms [24]. Although there remains some dispute about the theoretical equivalence of the different approaches, the overall results show satisfying agreement with each other, such that they can be used with confidence for data analysis.« less

Coupled thermomechanical behavior of graphene using the spring-based finite element approach

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

Georgantzinos, S. K., E-mail: sgeor@mech.upatras.gr; Anifantis, N. K., E-mail: nanif@mech.upatras.gr; Giannopoulos, G. I., E-mail: ggiannopoulos@teiwest.gr

The prediction of the thermomechanical behavior of graphene using a new coupled thermomechanical spring-based finite element approach is the aim of this work. Graphene sheets are modeled in nanoscale according to their atomistic structure. Based on molecular theory, the potential energy is defined as a function of temperature, describing the interatomic interactions in different temperature environments. The force field is approached by suitable straight spring finite elements. Springs simulate the interatomic interactions and interconnect nodes located at the atomic positions. Their stiffness matrix is expressed as a function of temperature. By using appropriate boundary conditions, various different graphene configurations aremore » analyzed and their thermo-mechanical response is approached using conventional finite element procedures. A complete parametric study with respect to the geometric characteristics of graphene is performed, and the temperature dependency of the elastic material properties is finally predicted. Comparisons with available published works found in the literature demonstrate the accuracy of the proposed method.« less

Double-beta decay processes from lattice quantum chromodynamics

NASA Astrophysics Data System (ADS)

Davoudi, Zohreh; Tiburzi, Brian; Wagman, Michael; Winter, Frank; Chang, Emmanuel; Detmold, William; Orginos, Kostas; Savage, Martin; Shanahan, Phiala; Nplqcd Collaboration

2017-09-01

While an observation of neutrinoless double-beta decay in upcoming experiments will establish that the neutrinos are Majorana particles, the underlying new physics responsible for this decay can only be constrained if the theoretical predictions of the rate are substantially refined. This talk demonstrates the roadmap in connecting the underlying high-scale theory to the corresponding nuclear matrix elements, focusing mainly on the nucleonic matrix elements in the simplest extension of Standard Model in which a light Majorana neutrino is mediating the process. The role of lattice QCD and effective field theory in this program, in particular, the prospect of a direct matching of the nn to pp amplitude to lattice QCD will be discussed. As a first step towards this goal, the results of the first lattice QCD calculation of the relevant matrix element for neutrinofull double-beta decay will be presented, albeit with unphysical quark masses, along with important lessons that could impact the calculations of nuclear matrix elements involved in double-beta decays of realistic nuclei.

Transfer-Matrix Method for Solving the Spin 1/2 Antiferromagnetic Heisenberg Chain

NASA Astrophysics Data System (ADS)

Garcia-Bach, M. A.; Klein, D. J.; Valenti, R.

Following the discovery of high Tc superconductivity in the copper oxides, there has been a great deal of interest in the RVB wave function proposed by Anderson [1]. As a warm-up exercise we have considered a valence-bond wave function for the one dimensional spin-1/2 Heisenberg chain. The main virtue of our work is to propose a new variational singlet wavefunction which is almost analytically tractable by a transfer-matrix technique. We have obtained the ground state energy for finite as well as infinite chains, in good agreement with exact results. Correlation functions, excited states, and the effects of other interactions (e.g., spin-Peierls) are also accessible within this scheme [2]. Since the ground state of the chain is known to be a singlet (Lieb & Mattis [3]), we write the appropriate wave function as a superposition of valence-bond singlets, |ψ > =∑ limits k C k | k>, where |k> is a spin configuration obtained by pairing all spins into singlet pairs, in a way which is common in valence-bond calculations of large molecules. As in that case, each configuration, |k>, can be represented by a Rümer diagram, with directed bonds connecting each pair of spins on the chain. The ck's are variational co-efficients, the form of which is determined as follows: Each singlet configuration (Rümer diagram) is divided into "zones", a "zone" corresponding to the region between two consecutive sites. Each zone is indexed by its distance from the end of the chain and by the number of bonds crossing it. Our procedure assigns a variational parameter, xij, to the jth zone, when crossed by i bonds. The resulting wavefunction for an N-site chain is written as |ψ > =∑ limits k ∏ M limits { i =1} ∏ { N -1}limits { j =1} X ij{ m ij (k)} | k> where mij(k) equals 1 when zone j is crossed by i bonds and zero otherwise. To make the calculation tractable we reduce the number of variational parameters by disallowing configurations with bonds connecting any two sites separated by more than 2M lattice points. (For simplicity, we have limited ourselves to M=3, but the scheme can be used for any M). With the simple ansatz, matrix elements can be calculated by a transfer-matrix method. To understand the transfer-matrix method note that since only local zone parameters appear in the description of each state |k>, matrix elements and overlaps, < k| bar S q bar S{ q +1} |k'> and , are completely specified by a small number of "local states" associated with each zone. Within a given zone a local state is defined by (i) the number of bonds crossing the zone and (ii), by whether the bonds originate from the initial (|k>) or final (|k'>) state. It is then easy to see that "local states" of consecutive zones are connected by a 15 × 15 transfer matrix (for the case M=3). Furthermore, the overlap matrix element can be written as a product of transfer-matrices associated with each zone of the chain. When calculating matrix elements of the Hamiltonian, an additional matrix, U, must be defined, to represent the particular zone involving the two spins connected by the Heisenberg interaction. The relevant details as well as the comparison with exact results will be given elsewhere. We are planning to ultimately apply this method to the two dimensional case, and hope to include the effects of holes.

Energy Transfer between Post-Transition Elements & Rare Earths in Oxide & Chalcogenide Glasses.

DTIC Science & Technology

1979-08-27

Caird [13]. A calculation of reduced matrix elements of Pr3 in 20 Na O • 80 TeO2 glass [14] showed that they differ slightly from data of ref. [121... glasses Transition (lass 35 ZnO 65 TeO2 20 Na2 O 80 TeO 2 fX 106 fX 106 l.,eas 3a, a) Ia’l. faI f.me.s f al f+ I fal 3 H4 - 3 H6 1.56 1.65 1.12...Rare-Earth Doped Glasses 20. jIST HAEV CCnFn~m ,i cn,on ra e sideit If c."*Ar’ -- ~ 14-r by t?-h.c .: r Intensity parameters, radiative transition

Combining and comparing neutrinoless double beta decay experiments using different nuclei

NASA Astrophysics Data System (ADS)

Bergström, Johannes

2013-02-01

We perform a global fit of the most relevant neutrinoless double beta decay experiments within the standard model with massive Majorana neutrinos. Using Bayesian inference makes it possible to take into account the theoretical uncertainties on the nuclear matrix elements in a fully consistent way. First, we analyze the data used to claim the observation of neutrinoless double beta decay in 76Ge, and find strong evidence (according to Jeffrey's scale) for a peak in the spectrum and moderate evidence for that the peak is actually close to the energy expected for the neutrinoless decay. We also find a significantly larger statistical error than the original analysis, which we include in the comparison with other data. Then, we statistically test the consistency between this claim with that of recent measurements using 136Xe. We find that the two data sets are about 40 to 80 times more probable under the assumption that they are inconsistent, depending on the nuclear matrix element uncertainties and the prior on the smallest neutrino mass. Hence, there is moderate to strong evidence of incompatibility, and for equal prior probabilities the posterior probability of compatibility is between 1.3% and 2.5%. If one, despite such evidence for incompatibility, combines the two data sets, we find that the total evidence of neutrinoless double beta decay is negligible. If one ignores the claim, there is weak evidence against the existence of the decay. We also perform approximate frequentist tests of compatibility for fixed ratios of the nuclear matrix elements, as well as of the no signal hypothesis. Generalization to other sets of experiments as well as other mechanisms mediating the decay is possible.

Effective field theory in the harmonic oscillator basis

DOE PAGES

Binder, S.; Ekström, Jan A.; Hagen, Gaute; ...

2016-04-25

In this paper, we develop interactions from chiral effective field theory (EFT) that are tailored to the harmonic oscillator basis. As a consequence, ultraviolet convergence with respect to the model space is implemented by construction and infrared convergence can be achieved by enlarging the model space for the kinetic energy. In oscillator EFT, matrix elements of EFTs formulated for continuous momenta are evaluated at the discrete momenta that stem from the diagonalization of the kinetic energy in the finite oscillator space. By fitting to realistic phase shifts and deuteron data we construct an effective interaction from chiral EFT at next-to-leadingmore » order. Finally, many-body coupled-cluster calculations of nuclei up to 132Sn converge fast for the ground-state energies and radii in feasible model spaces.« less

Single photoionization of the Zn II ion in the photon energy range 17.5-90.0 eV: experiment and theory

NASA Astrophysics Data System (ADS)

Hinojosa, G.; Davis, V. T.; Covington, A. M.; Thompson, J. S.; Kilcoyne, A. L. D.; Antillón, A.; Hernández, E. M.; Calabrese, D.; Morales-Mori, A.; Juárez, A. M.; Windelius, O.; McLaughlin, B. M.

2017-10-01

Measurements of the single-photoionization cross-section of Cu-like Zn+ ions are reported in the energy (wavelength) range 17.5 eV (708 Å) to 90 eV (138 Å). The measurements on this trans-Fe element were performed at the Advanced Light Source synchrotron radiation facility in Berkeley, California at a photon energy resolution of 17 meV using the photon-ion merged-beams end-station. Below 30 eV, the spectrum is dominated by excitation autoionizing resonance states. The experimental results are compared with large-scale photoionization cross-section calculations performed using a Dirac Coulomb R-matrix approximation. Comparisons are made with previous experimental studies, resonance states are identified and contributions from metastable states of Zn+ are determined.

Some dipole shower studies

NASA Astrophysics Data System (ADS)

Cabouat, Baptiste; Sjöstrand, Torbjörn

2018-03-01

Parton showers have become a standard component in the description of high-energy collisions. Nowadays most final-state ones are of the dipole character, wherein a pair of partons branches into three, with energy and momentum preserved inside this subsystem. For initial-state showers a dipole picture is also possible and commonly used, but the older global-recoil strategy remains a valid alternative, wherein larger groups of partons share the energy-momentum preservation task. In this article we introduce and implement a dipole picture also for initial-state radiation in Pythia, and compare with the existing global-recoil one, and with data. For the case of Deeply Inelastic Scattering we can directly compare with matrix element expressions and show that the dipole picture gives a very good description over the whole phase space, at least for the first branching.

Measurement of gamma' precipitates in a nickel-based superalloy using energy-filtered transmission electron microscopy coupled with automated segmenting techniques.

PubMed

Tiley, J S; Viswanathan, G B; Shiveley, A; Tschopp, M; Srinivasan, R; Banerjee, R; Fraser, H L

2010-08-01

Precipitates of the ordered L1(2) gamma' phase (dispersed in the face-centered cubic or FCC gamma matrix) were imaged in Rene 88 DT, a commercial multicomponent Ni-based superalloy, using energy-filtered transmission electron microscopy (EFTEM). Imaging was performed using the Cr, Co, Ni, Ti and Al elemental L-absorption edges in the energy loss spectrum. Manual and automated segmentation procedures were utilized for identification of precipitate boundaries and measurement of precipitate sizes. The automated region growing technique for precipitate identification in images was determined to measure accurately precipitate diameters. In addition, the region growing technique provided a repeatable method for optimizing segmentation techniques for varying EFTEM conditions. (c) 2010 Elsevier Ltd. All rights reserved.

A new fast direct solver for the boundary element method

NASA Astrophysics Data System (ADS)

Huang, S.; Liu, Y. J.

2017-09-01

A new fast direct linear equation solver for the boundary element method (BEM) is presented in this paper. The idea of the new fast direct solver stems from the concept of the hierarchical off-diagonal low-rank matrix. The hierarchical off-diagonal low-rank matrix can be decomposed into the multiplication of several diagonal block matrices. The inverse of the hierarchical off-diagonal low-rank matrix can be calculated efficiently with the Sherman-Morrison-Woodbury formula. In this paper, a more general and efficient approach to approximate the coefficient matrix of the BEM with the hierarchical off-diagonal low-rank matrix is proposed. Compared to the current fast direct solver based on the hierarchical off-diagonal low-rank matrix, the proposed method is suitable for solving general 3-D boundary element models. Several numerical examples of 3-D potential problems with the total number of unknowns up to above 200,000 are presented. The results show that the new fast direct solver can be applied to solve large 3-D BEM models accurately and with better efficiency compared with the conventional BEM.

Rolling Element Bearing Stiffness Matrix Determination (Presentation)

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

Guo, Y.; Parker, R.

2014-01-01

Current theoretical bearing models differ in their stiffness estimates because of different model assumptions. In this study, a finite element/contact mechanics model is developed for rolling element bearings with the focus of obtaining accurate bearing stiffness for a wide range of bearing types and parameters. A combined surface integral and finite element method is used to solve for the contact mechanics between the rolling elements and races. This model captures the time-dependent characteristics of the bearing contact due to the orbital motion of the rolling elements. A numerical method is developed to determine the full bearing stiffness matrix corresponding tomore » two radial, one axial, and two angular coordinates; the rotation about the shaft axis is free by design. This proposed stiffness determination method is validated against experiments in the literature and compared to existing analytical models and widely used advanced computational methods. The fully-populated stiffness matrix demonstrates the coupling between bearing radial, axial, and tilting bearing deflections.« less

Numerical investigations on the effect of slenderness ratio of matrix elements in cryogenic chill down process

NASA Astrophysics Data System (ADS)

Reby Roy, K. E.; Mohammed, Jesna; Abhiroop, V. M.; Thekkethil, S. R.

2017-02-01

Cryogenic fluids have many applications in space, medicine, preservation etc. The chill-down of cryogenic fluid transfer line is a complicated phenomenon occurring in most of the cryogenic systems. The cryogenic fluid transfer line, which is initially at room temperature, has to be cooled to the temperature of the cryogen as fast as possible. When the cryogenic fluid at liquid state passes along the line, transient heat transfer between the cryogen and the transfer line causes voracious evaporation of the liquid. This paper makes a contribution to the two-phase flow along a rectangular flow passage consisting of an array of elliptically shaped matrix elements. A simplified 2D model is considered and the problem is solved using ANSYS FLUENT. The present analysis aims to study the influence of the slenderness ratio of matrix elements on the heat transfer rate and chill down time. For a comparative study, matrix elements of slenderness ratios 5 and 10 are considered. Liquid nitrogen at 74K flows through the matrix. The material of the transfer line is assumed to be aluminium which is initially at room temperature. The influence of Reynolds numbers from 800 to 3000 on chill-down is also investigated.

Efficient conjugate gradient algorithms for computation of the manipulator forward dynamics

NASA Technical Reports Server (NTRS)

Fijany, Amir; Scheid, Robert E.

1989-01-01

The applicability of conjugate gradient algorithms for computation of the manipulator forward dynamics is investigated. The redundancies in the previously proposed conjugate gradient algorithm are analyzed. A new version is developed which, by avoiding these redundancies, achieves a significantly greater efficiency. A preconditioned conjugate gradient algorithm is also presented. A diagonal matrix whose elements are the diagonal elements of the inertia matrix is proposed as the preconditioner. In order to increase the computational efficiency, an algorithm is developed which exploits the synergism between the computation of the diagonal elements of the inertia matrix and that required by the conjugate gradient algorithm.

Matrix elements for type 1 unitary irreducible representations of the Lie superalgebra gl(m|n)

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

Gould, Mark D.; Isaac, Phillip S.; Werry, Jason L.

Using our recent results on eigenvalues of invariants associated to the Lie superalgebra gl(m|n), we use characteristic identities to derive explicit matrix element formulae for all gl(m|n) generators, particularly non-elementary generators, on finite dimensional type 1 unitary irreducible representations. We compare our results with existing works that deal with only subsets of the class of type 1 unitary representations, all of which only present explicit matrix elements for elementary generators. Our work therefore provides an important extension to existing methods, and thus highlights the strength of our techniques which exploit the characteristic identities.

Double β-decay nuclear matrix elements for the A=48 and A=58 systems

NASA Astrophysics Data System (ADS)

Skouras, L. D.; Vergados, J. D.

1983-11-01

The nuclear matrix elements entering the double β decays of the 48Ca-48Ti and 58Ni-58Fe systems have been calculated using a realistic two nucleon interaction and realistic shell model spaces. Effective transition operators corresponding to a variety of gauge theory models have been considered. The stability of such matrix elements against variations of the nuclear parameters is examined. Appropriate lepton violating parameters are extracted from the A=48 data and predictions are made for the lifetimes of the positron decays of the A=58 system. RADIOACTIVITY Double β decay. Gauge theories. Lepton nonconservation. Neutrino mass. Shell model calculations.

Extended Lagrangian formulation of charge-constrained tight-binding molecular dynamics.

PubMed

Cawkwell, M J; Coe, J D; Yadav, S K; Liu, X-Y; Niklasson, A M N

2015-06-09

The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [Niklasson, Phys. Rev. Lett., 2008, 100, 123004] has been applied to a tight-binding model under the constraint of local charge neutrality to yield microcanonical trajectories with both precise, long-term energy conservation and a reduced number of self-consistent field optimizations at each time step. The extended Lagrangian molecular dynamics formalism restores time reversal symmetry in the propagation of the electronic degrees of freedom, and it enables the efficient and accurate self-consistent optimization of the chemical potential and atomwise potential energy shifts in the on-site elements of the tight-binding Hamiltonian that are required when enforcing local charge neutrality. These capabilities are illustrated with microcanonical molecular dynamics simulations of a small metallic cluster using an sd-valent tight-binding model for titanium. The effects of weak dissipation on the propagation of the auxiliary degrees of freedom for the chemical potential and on-site Hamiltonian matrix elements that is used to counteract the accumulation of numerical noise during trajectories was also investigated.

Low-energy neutron-deuteron reactions with N 3LO chiral forces

DOE PAGES

Golak, J.; Skibinski, R.; Topolnicki, K.; ...

2014-11-27

Here, we solve three-nucleon Faddeev equations with nucleon-nucleon and three-nucleon forces derived consistently in the framework of chiral perturbation theory at next-to-next-to-next-to-leading order in the chiral expansion. In this first investigation we include only matrix elements of the three-nucleon force for partial waves with the total two-nucleon (three-nucleon) angular momenta up to 3 (5/2). Low-energy neutron-deuteron elastic scattering and deuteron breakup reaction are studied. Emphasis is put on A y puzzle in elastic scattering and cross sections in symmetric-space-star and neutron-neutron quasi-free-scattering breakup configurations, for which large discrepancies between data and theory have been reported.

Machine learning reveals orbital interaction in materials

NASA Astrophysics Data System (ADS)

Lam Pham, Tien; Kino, Hiori; Terakura, Kiyoyuki; Miyake, Takashi; Tsuda, Koji; Takigawa, Ichigaku; Chi Dam, Hieu

2017-12-01

We propose a novel representation of materials named an 'orbital-field matrix (OFM)', which is based on the distribution of valence shell electrons. We demonstrate that this new representation can be highly useful in mining material data. Experimental investigation shows that the formation energies of crystalline materials, atomization energies of molecular materials, and local magnetic moments of the constituent atoms in bimetal alloys of lanthanide metal and transition-metal can be predicted with high accuracy using the OFM. Knowledge regarding the role of the coordination numbers of the transition-metal and lanthanide elements in determining the local magnetic moments of the transition-metal sites can be acquired directly from decision tree regression analyses using the OFM.

Theory of Tunneling Spectroscopy in a Mn12 Single-Electron Transistor by Density-Functional Theory Methods

NASA Astrophysics Data System (ADS)

Michalak, Ł.; Canali, C. M.; Pederson, M. R.; Paulsson, M.; Benza, V. G.

2010-01-01

We consider tunneling transport through a Mn12 molecular magnet using spin density functional theory. A tractable methodology for constructing many-body wave functions from Kohn-Sham orbitals allows for the determination of spin-dependent matrix elements for use in transport calculations. The tunneling conductance at finite bias is characterized by peaks representing transitions between spin multiplets, separated by an energy on the order of the magnetic anisotropy. The energy splitting of the spin multiplets and the spatial part of their many-body wave functions, describing the orbital degrees of freedom of the excess charge, strongly affect the electronic transport, and can lead to negative differential conductance.

Theory of tunneling spectroscopy in a Mn12 single-electron transistor by density-functional theory methods.

PubMed

Michalak, Ł; Canali, C M; Pederson, M R; Paulsson, M; Benza, V G

2010-01-08

We consider tunneling transport through a Mn12 molecular magnet using spin density functional theory. A tractable methodology for constructing many-body wave functions from Kohn-Sham orbitals allows for the determination of spin-dependent matrix elements for use in transport calculations. The tunneling conductance at finite bias is characterized by peaks representing transitions between spin multiplets, separated by an energy on the order of the magnetic anisotropy. The energy splitting of the spin multiplets and the spatial part of their many-body wave functions, describing the orbital degrees of freedom of the excess charge, strongly affect the electronic transport, and can lead to negative differential conductance.

A discrimination method for the detection of pneumonia using chest radiograph.

PubMed

Noor, Norliza Mohd; Rijal, Omar Mohd; Yunus, Ashari; Abu-Bakar, S A R

2010-03-01

This paper presents a statistical method for the detection of lobar pneumonia when using digitized chest X-ray films. Each region of interest was represented by a vector of wavelet texture measures which is then multiplied by the orthogonal matrix Q(2). The first two elements of the transformed vectors were shown to have a bivariate normal distribution. Misclassification probabilities were estimated using probability ellipsoids and discriminant functions. The result of this study recommends the detection of pneumonia by constructing probability ellipsoids or discriminant function using maximum energy and maximum column sum energy texture measures where misclassification probabilities were less than 0.15. 2009 Elsevier Ltd. All rights reserved.

Spectroscopic properties of 130Sb, 132Te and 134I nuclei in 100-132Sn magic cores

NASA Astrophysics Data System (ADS)

Benrachi, Fatima; Khiter, Meriem; Laouet, Nadjet

2017-09-01

We have performed shell model calculations by means of Oxbash nuclear structure code using recent experimental single particle (spes) and single hole (shes) energies with valence space models above the 100sn and 132sn doubly magic cores. The two-body matrix elements (tbme) of original CD-Bonn realistic interaction are introduced after have been modified taking into account the three-body forces. We have focused our study on spectroscopic properties evaluation of 130Sb, 132Te and 134I nuclei, in particular their energy spectra, transition probabilities and moments have been determined. The getting spectra are in reasonable agreement with the experimental data.

A coupled/uncoupled deformation and fatigue damage algorithm utilizing the finite element method

NASA Technical Reports Server (NTRS)

Wilt, Thomas E.; Arnold, Steven M.

1994-01-01

A fatigue damage computational algorithm utilizing a multiaxial, isothermal, continuum based fatigue damage model for unidirectional metal matrix composites has been implemented into the commercial finite element code MARC using MARC user subroutines. Damage is introduced into the finite element solution through the concept of effective stress which fully couples the fatigue damage calculations with the finite element deformation solution. An axisymmetric stress analysis was performed on a circumferentially reinforced ring, wherein both the matrix cladding and the composite core were assumed to behave elastic-perfectly plastic. The composite core behavior was represented using Hill's anisotropic continuum based plasticity model, and similarly, the matrix cladding was represented by an isotropic plasticity model. Results are presented in the form of S-N curves and damage distribution plots.

Theoretical rate constants of super-exchange hole transfer and thermally induced hopping in DNA.

PubMed

Shimazaki, Tomomi; Asai, Yoshihiro; Yamashita, Koichi

2005-01-27

Recently, the electronic properties of DNA have been extensively studied, because its conductivity is important not only to the study of fundamental biological problems, but also in the development of molecular-sized electronics and biosensors. We have studied theoretically the reorganization energies, the activation energies, the electronic coupling matrix elements, and the rate constants of hole transfer in B-form double-helix DNA in water. To accommodate the effects of DNA nuclear motions, a subset of reaction coordinates for hole transfer was extracted from classical molecular dynamics (MD) trajectories of DNA in water and then used for ab initio quantum chemical calculations of electron coupling constants based on the generalized Mulliken-Hush model. A molecular mechanics (MM) method was used to determine the nuclear Franck-Condon factor. The rate constants for two types of mechanisms of hole transfer-the thermally induced hopping (TIH) and the super-exchange mechanisms-were determined based on Marcus theory. We found that the calculated matrix elements are strongly dependent on the conformations of the nucleobase pairs of hole-transferable DNA and extend over a wide range of values for the "rise" base-step parameter but cluster around a particular value for the "twist" parameter. The calculated activation energies are in good agreement with experimental results. Whereas the rate constant for the TIH mechanism is not dependent on the number of A-T nucleobase pairs that act as a bridge, the rate constant for the super-exchange process rapidly decreases when the length of the bridge increases. These characteristic trends in the calculated rate constants effectively reproduce those in the experimental data of Giese et al. [Nature 2001, 412, 318]. The calculated rate constants were also compared with the experimental results of Lewis et al. [Nature 2000, 406, 51].

Comparison between Adaptive and Uniform Discontinuous Galerkin Simulations in Dry 2D Bubble Experiments

DTIC Science & Technology

2012-11-08

ψk with the mass matrix Mik = ∫ Ωe ψiψkdΩ; for the sake of simplicity, we did not write the dependence on x of the basis functions although it should...polynomial order N throughout all the elements Ωe in the domain Ω = ⋃Ne e =1 Ωe and if we insist that the elements have straight edges, then the matrix M−1...constant within each element of our grid but we allow µlim to change between different elements. The total viscosity parameter for each element e is

NUCLEAR REACTOR FUEL ELEMENTS AND METHOD OF PREPARATION

DOEpatents

Kingston, W.E.; Kopelman, B.; Hausner, H.H.

1963-07-01

A fuel element consisting of uranium nitride and uranium carbide in the form of discrete particles in a solid coherent matrix of a metal such as steel, beryllium, uranium, or zirconium and clad with a metal such as steel, aluminum, zirconium, or beryllium is described. The element is made by mixing powdered uranium nitride and uranium carbide with powdered matrix metal, then compacting and sintering the mixture. (AEC)

The multifacet graphically contracted function method. I. Formulation and implementation

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

Shepard, Ron; Brozell, Scott R.; Gidofalvi, Gergely

2014-08-14

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that bothmore » the energy and the gradient computation scale as O(N{sup 2}n{sup 4}) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N{sub 2} dissociation, cubic H{sub 8} dissociation, the symmetric dissociation of H{sub 2}O, and the insertion of Be into H{sub 2}. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.« less

Tetragonal zirconia quantum dots in silica matrix prepared by a modified sol-gel protocol

NASA Astrophysics Data System (ADS)

Verma, Surbhi; Rani, Saruchi; Kumar, Sushil

2018-05-01

Tetragonal zirconia quantum dots (t-ZrO2 QDs) in silica matrix with different compositions ( x)ZrO2-(100 - x)SiO2 were fabricated by a modified sol-gel protocol. Acetylacetone was added as a chelating agent to zirconium propoxide to avoid precipitation. The powders as well as thin films were given thermal treatment at 650, 875 and 1100 °C for 4 h. The silica matrix remained amorphous after thermal treatment and acted as an inert support for zirconia quantum dots. The tetragonal zirconia embedded in silica matrix transformed into monoclinic form due to thermal treatment ≥ 1100 °C. The stability of tetragonal phase of zirconia is found to enhance with increase in silica content. A homogenous dispersion of t-ZrO2 QDs in silica matrix was indicated by the mapping of Zr, Si and O elements obtained from scanning electron microscope with energy dispersive X-ray analyser. The transmission electron images confirmed the formation of tetragonal zirconia quantum dots embedded in silica. The optical band gap of zirconia QDs (3.65-5.58 eV) was found to increase with increase in zirconia content in silica. The red shift of PL emission has been exhibited with increase in zirconia content in silica.

Scanning Electron Microscopy Findings With Energy-Dispersive X-ray Investigations of Cosmetically Tinted Contact Lenses

PubMed Central

Hotta, Fumika; Imai, Shoji; Miyamoto, Tatsuro; Mitamura-Aizawa, Sayaka; Mitamura, Yoshinori

2015-01-01

Objective: To investigate the surfaces and principal elements of the colorants of cosmetically tinted contact lenses (Cos-CLs). Methods: We analyzed the surfaces and principal elements of the colorants of five commercially available Cos-CLs using scanning electron microscopy with energy-dispersive x-ray analysis. Results: In two Cos-CLs, the anterior and posterior surfaces were smooth, and colorants were found inside the lens. One lens showed colorants located to a depth of 8 to 14 μm from the anterior side of the lens. In the other lens, colorants were found in the most superficial layer on the posterior surface, although a coated layer was observed. The colorants in the other three lenses were deposited on either lens surface. Although a print pattern was uniform in embedded type lenses, uneven patterns were apparent in dot-matrix design lenses. Colorants used in all lenses contained chlorine, iron, and titanium. In the magnified scanning electron microscopy images of a certain lens, chlorine is exuded and spread. Conclusions: Cosmetically tinted contact lenses have a wide variety of lens surfaces and colorants. Colorants may be deposited on the lens surface and consist of an element that has tissue toxicity. PMID:25799458

A standards-based method for compositional analysis by energy dispersive X-ray spectrometry using multivariate statistical analysis: application to multicomponent alloys.

PubMed

Rathi, Monika; Ahrenkiel, S P; Carapella, J J; Wanlass, M W

2013-02-01

Given an unknown multicomponent alloy, and a set of standard compounds or alloys of known composition, can one improve upon popular standards-based methods for energy dispersive X-ray (EDX) spectrometry to quantify the elemental composition of the unknown specimen? A method is presented here for determining elemental composition of alloys using transmission electron microscopy-based EDX with appropriate standards. The method begins with a discrete set of related reference standards of known composition, applies multivariate statistical analysis to those spectra, and evaluates the compositions with a linear matrix algebra method to relate the spectra to elemental composition. By using associated standards, only limited assumptions about the physical origins of the EDX spectra are needed. Spectral absorption corrections can be performed by providing an estimate of the foil thickness of one or more reference standards. The technique was applied to III-V multicomponent alloy thin films: composition and foil thickness were determined for various III-V alloys. The results were then validated by comparing with X-ray diffraction and photoluminescence analysis, demonstrating accuracy of approximately 1% in atomic fraction.

A 3/D finite element approach for metal matrix composites based on micromechanical models

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

Svobodnik, A.J.; Boehm, H.J.; Rammerstorfer, F.G.

Based on analytical considerations by Dvorak and Bahel-El-Din, a 3/D finite element material law has been developed for the elastic-plastic analysis of unidirectional fiber-reinforced metal matrix composites. The material law described in this paper has been implemented in the finite element code ABAQUS via the user subroutine UMAT. A constitutive law is described under the assumption that the fibers are linear-elastic and the matrix is of a von Mises-type with a Prager-Ziegler kinematic hardening rule. The uniaxial effective stress-strain relationship of the matrix in the plastic range is approximated by a Ramberg-Osgood law, a linear hardening rule or a nonhardeningmore » rule. Initial yield surface of the matrix material and for the fiber reinforced composite are compared to show the effect of reinforcement. Implementation of this material law in a finite element program is shown. Furthermore, the efficiency of substepping schemes and stress corrections for the numerical integration of the elastic-plastic stress-strain relations for anisotropic materials are investigated. The results of uniaxial monotonic tests of a boron/aluminum composite are compared to some finite element analyses based on micromechanical considerations. Furthermore a complete 3/D analysis of a tensile test specimen made of a silicon-carbide/aluminum MMC and the analysis of an MMC inlet inserted in a homogenous material are shown. 12 refs.« less

Polarization-interference Jones-matrix mapping of biological crystal networks

NASA Astrophysics Data System (ADS)

Ushenko, O. G.; Dubolazov, O. V.; Pidkamin, L. Y.; Sidor, M. I.; Pavlyukovich, N.; Pavlyukovich, O.

2018-01-01

The paper consists of two parts. The first part presents short theoretical basics of the method of Jones-matrix mapping with the help of reference wave. It was provided experimentally measured coordinate distributions of modulus of Jones-matrix elements of polycrystalline film of bile. It was defined the values and ranges of changing of statistic moments, which characterize such distributions. The second part presents the data of statistic analysis of the distributions of matrix elements of polycrystalline film of urine of donors and patients with albuminuria. It was defined the objective criteria of differentiation of albuminuria.

On the Singularity in the Estimation of the Quaternion-of-Rotation

NASA Technical Reports Server (NTRS)

Bar-Itzhack, Itzhack Y.; Thienel, Julie K.

2003-01-01

It has been claimed in the archival literature that the covariance matrix of a Kalman filter, which is designed to estimate the quaternion-of-rotation, is necessarily rank deficient because the normality constraint of the quaternion produces dependence between the quaternion elements. In reality, though, this phenomenon does not occur. The covariance matrix is not singular, and the filter is well behaved. Several simple examples are presented that demonstrate the regularity of the covariance matrix. First, estimation cases are presented where a relationship exists between the estimated variables, and yet the covariance matrix is not singular. Then the particular problem of quaternion estimation is analyzed. It is shown that the discrepancy stems from the fact that a functional relationship exists between the elements of the true quaternion but not between its estimated elements.

Simplified equation for Young's modulus of CNT reinforced concrete

NASA Astrophysics Data System (ADS)

Chandran, RameshBabu; Gifty Honeyta A, Maria

2017-12-01

This research investigation focuses on finite element modeling of carbon nanotube (CNT) reinforced concrete matrix for three grades of concrete namely M40, M60 and M120. Representative volume element (RVE) was adopted and one-eighth model depicting the CNT reinforced concrete matrix was simulated using FEA software ANSYS17.2. Adopting random orientation of CNTs, with nine fibre volume fractions from 0.1% to 0.9%, finite element modeling simulations replicated exactly the CNT reinforced concrete matrix. Upon evaluations of the model, the longitudinal and transverse Young's modulus of elasticity of the CNT reinforced concrete was arrived. The graphical plots between various fibre volume fractions and the concrete grade revealed simplified equation for estimating the young's modulus. It also exploited the fact that the concrete grade does not have significant impact in CNT reinforced concrete matrix.

The Dualized Standard Model and its Applications — AN Interim Report

NASA Astrophysics Data System (ADS)

Chan, Hong-Mo; Tsou, Sheung Tsun

Based on a non-Abelian generalization of electric-magnetic duality, the Dualized Standard Model (DSM) suggests a natural explanation for exactly three generations of fermions as the "dual colour" widetilde SU (3) symmetry broken in a particular manner. The resulting scheme then offers on the one hand a fermion mass hierarchy and a perturbative method for calculating the mass and mixing parameters of the Standard Model fermions, and on the other hand testable predictions for new phenomena ranging from rare meson decays to ultra-high energy cosmic rays. Calculations to one-loop order gives, at the cost of adjusting only three real parameters, values for the following quantities all (except one) in very good agreement with experiment: the quark CKM matrix elements dvbr Vrsdvbr , the lepton CKM matrix elements dvbr Ursdvbr, and the second generation masses mc, ms, mμ. This means, in particular, that it gives near maximal mixing Uμ3 between νμ and ντ as observed by SuperKamiokande, Kamiokande and Soudan, while keeping small the corresponding quark angles Vcb, Vts. In addition, the scheme gives (i) rough order-of-magnitude estimates for the masses of the lowest generation, (ii) predictions for low energy FCNC effects such as KL→ eμ, and (iii) a possible explanation for the long-standing puzzle of air showers beyond the GZK cut-off. All these together, however, still represent but a portion of the possible physical consequences derivable from the DSM scheme, the majority of which are yet to be explored.

Coil-to-coil physiological noise correlations and their impact on fMRI time-series SNR

PubMed Central

Triantafyllou, C.; Polimeni, J. R.; Keil, B.; Wald, L. L.

2017-01-01

Purpose Physiological nuisance fluctuations (“physiological noise”) are a major contribution to the time-series Signal to Noise Ratio (tSNR) of functional imaging. While thermal noise correlations between array coil elements have a well-characterized effect on the image Signal to Noise Ratio (SNR0), the element-to-element covariance matrix of the time-series fluctuations has not yet been analyzed. We examine this effect with a goal of ultimately improving the combination of multichannel array data. Theory and Methods We extend the theoretical relationship between tSNR and SNR0 to include a time-series noise covariance matrix Ψt, distinct from the thermal noise covariance matrix Ψ0, and compare its structure to Ψ0 and the signal coupling matrix SSH formed from the signal intensity vectors S. Results Inclusion of the measured time-series noise covariance matrix into the model relating tSNR and SNR0 improves the fit of experimental multichannel data and is shown to be distinct from Ψ0 or SSH. Conclusion Time-series noise covariances in array coils are found to differ from Ψ0 and more surprisingly, from the signal coupling matrix SSH. Correct characterization of the time-series noise has implications for the analysis of time-series data and for improving the coil element combination process. PMID:26756964

ICAN/PART: Particulate composite analyzer, user's manual and verification studies

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Murthy, Pappu L. N.; Mital, Subodh K.

1996-01-01

A methodology for predicting the equivalent properties and constituent microstresses for particulate matrix composites, based on the micromechanics approach, is developed. These equations are integrated into a computer code developed to predict the equivalent properties and microstresses of fiber reinforced polymer matrix composites to form a new computer code, ICAN/PART. Details of the flowchart, input and output for ICAN/PART are described, along with examples of the input and output. Only the differences between ICAN/PART and the original ICAN code are described in detail, and the user is assumed to be familiar with the structure and usage of the original ICAN code. Detailed verification studies, utilizing dim dimensional finite element and boundary element analyses, are conducted in order to verify that the micromechanics methodology accurately models the mechanics of particulate matrix composites. ne equivalent properties computed by ICAN/PART fall within bounds established by the finite element and boundary element results. Furthermore, constituent microstresses computed by ICAN/PART agree in average sense with results computed using the finite element method. The verification studies indicate that the micromechanics programmed into ICAN/PART do indeed accurately model the mechanics of particulate matrix composites.

Evaluation of Matrix9 silicon photomultiplier array for small-animal PET.

PubMed

Du, Junwei; Schmall, Jeffrey P; Yang, Yongfeng; Di, Kun; Roncali, Emilie; Mitchell, Gregory S; Buckley, Steve; Jackson, Carl; Cherry, Simon R

2015-02-01

The MatrixSL-9-30035-OEM (Matrix9) from SensL is a large-area silicon photomultiplier (SiPM) photodetector module consisting of a 3 × 3 array of 4 × 4 element SiPM arrays (total of 144 SiPM pixels) and incorporates SensL's front-end electronics board and coincidence board. Each SiPM pixel measures 3.16 × 3.16 mm(2) and the total size of the detector head is 47.8 × 46.3 mm(2). Using 8 × 8 polished LSO/LYSO arrays (pitch 1.5 mm) the performance of this detector system (SiPM array and readout electronics) was evaluated with a view for its eventual use in small-animal positron emission tomography (PET). Measurements of noise, signal, signal-to-noise ratio, energy resolution, flood histogram quality, timing resolution, and array trigger error were obtained at different bias voltages (28.0-32.5 V in 0.5 V intervals) and at different temperatures (5 °C-25 °C in 5 °C degree steps) to find the optimal operating conditions. The best measured signal-to-noise ratio and flood histogram quality for 511 keV gamma photons were obtained at a bias voltage of 30.0 V and a temperature of 5 °C. The energy resolution and timing resolution under these conditions were 14.2% ± 0.1% and 4.2 ± 0.1 ns, respectively. The flood histograms show that all the crystals in the 1.5 mm pitch LSO array can be clearly identified and that smaller crystal pitches can also be resolved. Flood histogram quality was also calculated using different center of gravity based positioning algorithms. Improved and more robust results were achieved using the local 9 pixels for positioning along with an energy offset calibration. To evaluate the front-end detector readout, and multiplexing efficiency, an array trigger error metric is introduced and measured at different lower energy thresholds. Using a lower energy threshold greater than 150 keV effectively eliminates any mispositioning between SiPM arrays. In summary, the Matrix9 detector system can resolve high-resolution scintillator arrays common in small-animal PET with adequate energy resolution and timing resolution over a large detector area. The modular design of the Matrix9 detector allows it to be used as a building block for simple, low channel-count, yet high performance, small animal PET or PET/MRI systems.

Evaluation of Matrix9 silicon photomultiplier array for small-animal PET

PubMed Central

Du, Junwei; Schmall, Jeffrey P.; Yang, Yongfeng; Di, Kun; Roncali, Emilie; Mitchell, Gregory S.; Buckley, Steve; Jackson, Carl; Cherry, Simon R.

2015-01-01

Purpose: The MatrixSL-9-30035-OEM (Matrix9) from SensL is a large-area silicon photomultiplier (SiPM) photodetector module consisting of a 3 × 3 array of 4 × 4 element SiPM arrays (total of 144 SiPM pixels) and incorporates SensL’s front-end electronics board and coincidence board. Each SiPM pixel measures 3.16 × 3.16 mm2 and the total size of the detector head is 47.8 × 46.3 mm2. Using 8 × 8 polished LSO/LYSO arrays (pitch 1.5 mm) the performance of this detector system (SiPM array and readout electronics) was evaluated with a view for its eventual use in small-animal positron emission tomography (PET). Methods: Measurements of noise, signal, signal-to-noise ratio, energy resolution, flood histogram quality, timing resolution, and array trigger error were obtained at different bias voltages (28.0–32.5 V in 0.5 V intervals) and at different temperatures (5 °C–25 °C in 5 °C degree steps) to find the optimal operating conditions. Results: The best measured signal-to-noise ratio and flood histogram quality for 511 keV gamma photons were obtained at a bias voltage of 30.0 V and a temperature of 5 °C. The energy resolution and timing resolution under these conditions were 14.2% ± 0.1% and 4.2 ± 0.1 ns, respectively. The flood histograms show that all the crystals in the 1.5 mm pitch LSO array can be clearly identified and that smaller crystal pitches can also be resolved. Flood histogram quality was also calculated using different center of gravity based positioning algorithms. Improved and more robust results were achieved using the local 9 pixels for positioning along with an energy offset calibration. To evaluate the front-end detector readout, and multiplexing efficiency, an array trigger error metric is introduced and measured at different lower energy thresholds. Using a lower energy threshold greater than 150 keV effectively eliminates any mispositioning between SiPM arrays. Conclusions: In summary, the Matrix9 detector system can resolve high-resolution scintillator arrays common in small-animal PET with adequate energy resolution and timing resolution over a large detector area. The modular design of the Matrix9 detector allows it to be used as a building block for simple, low channel-count, yet high performance, small animal PET or PET/MRI systems. PMID:25652479

Evaluation of Matrix9 silicon photomultiplier array for small-animal PET

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

Du, Junwei, E-mail: jwdu@ucdavis.edu; Schmall, Jeffrey P.; Yang, Yongfeng

Purpose: The MatrixSL-9-30035-OEM (Matrix9) from SensL is a large-area silicon photomultiplier (SiPM) photodetector module consisting of a 3 × 3 array of 4 × 4 element SiPM arrays (total of 144 SiPM pixels) and incorporates SensL’s front-end electronics board and coincidence board. Each SiPM pixel measures 3.16 × 3.16 mm{sup 2} and the total size of the detector head is 47.8 × 46.3 mm{sup 2}. Using 8 × 8 polished LSO/LYSO arrays (pitch 1.5 mm) the performance of this detector system (SiPM array and readout electronics) was evaluated with a view for its eventual use in small-animal positron emission tomographymore » (PET). Methods: Measurements of noise, signal, signal-to-noise ratio, energy resolution, flood histogram quality, timing resolution, and array trigger error were obtained at different bias voltages (28.0–32.5 V in 0.5 V intervals) and at different temperatures (5 °C–25 °C in 5 °C degree steps) to find the optimal operating conditions. Results: The best measured signal-to-noise ratio and flood histogram quality for 511 keV gamma photons were obtained at a bias voltage of 30.0 V and a temperature of 5 °C. The energy resolution and timing resolution under these conditions were 14.2% ± 0.1% and 4.2 ± 0.1 ns, respectively. The flood histograms show that all the crystals in the 1.5 mm pitch LSO array can be clearly identified and that smaller crystal pitches can also be resolved. Flood histogram quality was also calculated using different center of gravity based positioning algorithms. Improved and more robust results were achieved using the local 9 pixels for positioning along with an energy offset calibration. To evaluate the front-end detector readout, and multiplexing efficiency, an array trigger error metric is introduced and measured at different lower energy thresholds. Using a lower energy threshold greater than 150 keV effectively eliminates any mispositioning between SiPM arrays. Conclusions: In summary, the Matrix9 detector system can resolve high-resolution scintillator arrays common in small-animal PET with adequate energy resolution and timing resolution over a large detector area. The modular design of the Matrix9 detector allows it to be used as a building block for simple, low channel-count, yet high performance, small animal PET or PET/MRI systems.« less

Rigorous quantitative elemental microanalysis by scanning electron microscopy/energy dispersive x-ray spectrometry (SEM/EDS) with spectrum processing by NIST DTSA-II

NASA Astrophysics Data System (ADS)

Newbury, Dale E.; Ritchie, Nicholas W. M.

2014-09-01

Quantitative electron-excited x-ray microanalysis by scanning electron microscopy/silicon drift detector energy dispersive x-ray spectrometry (SEM/SDD-EDS) is capable of achieving high accuracy and high precision equivalent to that of the high spectral resolution wavelength dispersive x-ray spectrometer even when severe peak interference occurs. The throughput of the SDD-EDS enables high count spectra to be measured that are stable in calibration and resolution (peak shape) across the full deadtime range. With this high spectral stability, multiple linear least squares peak fitting is successful for separating overlapping peaks and spectral background. Careful specimen preparation is necessary to remove topography on unknowns and standards. The standards-based matrix correction procedure embedded in the NIST DTSA-II software engine returns quantitative results supported by a complete error budget, including estimates of the uncertainties from measurement statistics and from the physical basis of the matrix corrections. NIST DTSA-II is available free for Java-platforms at: http://www.cstl.nist.gov/div837/837.02/epq/dtsa2/index.html).

Variational Calculations of Ro-Vibrational Energy Levels and Transition Intensities for Tetratomic Molecules

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

A description is given of an algorithm for computing ro-vibrational energy levels for tetratomic molecules. The expressions required for evaluating transition intensities are also given. The variational principle is used to determine the energy levels and the kinetic energy operator is simple and evaluated exactly. The computational procedure is split up into the determination of one dimensional radial basis functions, the computation of a contracted rotational-bending basis, followed by a final variational step coupling all degrees of freedom. An angular basis is proposed whereby the rotational-bending contraction takes place in three steps. Angular matrix elements of the potential are evaluated by expansion in terms of a suitable basis and the angular integrals are given in a factorized form which simplifies their evaluation. The basis functions in the final variational step have the full permutation symmetries of the identical particles. Sample results are given for HCCH and BH3.

Rotational energy transfer of SH(X2Π, v''=0, J''=0.5-10.5) by collision with Ar: Λ-doublet resolved transition propensity.

PubMed

Tsai, Po-Yu; Lin, King-Chuen

2012-01-16

The behavior of Λ-doublet resolved rotational energy transfer (RET) by Ar collisions within the SH(X(2)Π, v''=0) state is characterized. The matrix elements of terms in the interaction potential responsible for interference effects are calculated to explain the propensity rules for collision-induced transitions within and between spin-orbit manifolds. In this manner, the physical mechanisms responsible for the F(1)-F(1), F(2)-F(2), and F(1)-F(2) transitions may be reasonably identified. As collision energy increases, the propensity for collisional population of the final e or f level is replaced by the e/f-conserving propensity. Such a change in propensity rule can be predicted in terms of energy sudden approximation at high J limit for the pure Hund's case scheme. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Low-energy Auger electron diffraction: influence of multiple scattering and angular momentum

NASA Astrophysics Data System (ADS)

Chassé, A.; Niebergall, L.; Kucherenko, Yu.

2002-04-01

The angular dependence of Auger electrons excited from single-crystal surfaces is treated theoretically within a multiple-scattering cluster model taking into account the full Auger transition matrix elements. In particular the model has been used to discuss the influence of multiple scattering and angular momentum of the Auger electron wave on Auger electron diffraction (AED) patterns in the region of low kinetic energies. Theoretical results of AED patterns are shown and discussed in detail for Cu(0 0 1) and Ni(0 0 1) surfaces, respectively. Even though Cu and Ni are very similar in their electronic and scattering properties recently strong differences have been found in AED patterns measured in the low-energy region. It is shown that the differences may be caused to superposition of different electron diffraction effects in an energy-integrated experiment. A good agreement between available experimental and theoretical results has been achieved.

Scattering Matrix for Typical Urban Anthropogenic Origin Cement Dust and Discrimination of Representative Atmospheric Particulates

NASA Astrophysics Data System (ADS)

Liu, Jia; Zhang, Yongming; Zhang, Qixing; Wang, Jinjun

2018-03-01

The complete scattering matrix for cement dust was measured as a function of scattering angle from 5° to 160° at a wavelength of 532 nm, as a representative of mineral dust of anthropogenic origin in urban areas. Other related characteristics of cement dust, such as particle size distribution, chemical composition, refractive index, and micromorphology, were also analyzed. For this objective, a newly improved apparatus was built and calibrated using water droplets. Measurements of water droplets were in good agreement with Lorenz-Mie calculations. To facilitate the direct applicability of measurements for cement dust in radiative transfer calculation, the synthetic scattering matrix was computed and defined over the full scattering angle range from 0° to 180°. The scattering matrices for cement dust and typical natural mineral dusts were found to be similar in trends and angular behaviors. Angular distributions of all matrix elements were confined to rather limited domains. To promote the application of light-scattering matrix in atmospheric observation and remote sensing, discrimination methods for various atmospheric particulates (cement dust, soot, smolder smoke, and water droplets) based on the angular distributions of their scattering matrix elements are discussed. The ratio -F12/F11 proved to be the most effective discrimination method when a single matrix element is employed; aerosol identification can be achieved based on -F12/F11 values at 90° and 160°. Meanwhile, the combinations of -F12/F11 with F22/F11 (or (F11 - F22)/(F11 + F22)) or -F12/F11 with F44/F11 at 160° can be used when multiple matrix elements at the same scattering angle are selected.

Assessment of Alternative [U] and [Th] Zircon Standards for SIMS

NASA Astrophysics Data System (ADS)

Monteleone, B. D.; van Soest, M. C.; Hodges, K.; Moore, G. M.; Boyce, J. W.; Hervig, R. L.

2009-12-01

The quality of in situ (U-Th)/He zircon dates is dependent upon the accuracy and precision of spatially distributed [U] and [Th] measurements on often complexly zoned zircon crystals. Natural zircon standards for SIMS traditionally have been used to obtain precise U-Pb ages rather than precise U and Th concentration. [U] and [Th] distributions within even the most homogeneous U-Pb age standards are not sufficient to make good microbeam standards (i.e., yield good precision: 2σ < 5%) for (U-Th)/He dates. In the absence of sufficiently homogeneous natural zircon crystals, we evaluate the use of the NIST 610 glass standard and a synthetic polycrystalline solid “zircon synrock” made by powdering and pressing natural zircon crystals at 2 GPa and 1100°C within a 13 mm piston cylinder for 24 hours. SIMS energy spectra and multiple spot analyses help assess the matrix-dependence of secondary ion emission and [U] and [Th] homogeneity of these materials. Although spot analyses on NIST 610 glass yielded spatially consistent ratios of 238U/30Si and 232Th/30Si (2σ = 2%, n = 14), comparison of energy spectra collected on glass and zircon reveal significant differences in U, UO, Th, and ThO ion intensities over the range of initial kinetic energies commonly used for trace element analyses. Computing [U] and [Th] in zircon using NIST glass yields concentrations that vary by more than 10% for [U] and [Th], depending on the initial kinetic energy and ion mass (elemental, oxide, or sum of elemental and oxide) used for the analysis. The observed effect of chemistry on secondary ion energy spectra suggests that NIST glass cannot be used as a standard for trace [U] and [Th] in zircon without a correction factor (presently unknown). Energy spectra of the zircon synrock are similar to those of natural zircon, suggesting matrix compatibility and therefore potential for accurate standardization. Spot analyses on the zircon powder pellets, however, show that adequate homogeneity of [U] and [Th] (2σ = 37% and 33% for 238U/30Si and 232Th/30Si, respectively, n = 8) has yet to be achieved. Modeling shows that homogenization of [U] and [Th] within these pellets requires preparation of powders with <2 micron sized particles, which has yet to be achieved in sample preparation. Thus, the zircon synrock pellet remains a viable potential [U], [Th] standard, although the preparation of a sufficiently fine grained, homogeneous pellet is a work in progress.

Effect of Fiber Poisson Contraction on Matrix Multicracking Evolution of Fiber-Reinforced Ceramic-Matrix Composites

NASA Astrophysics Data System (ADS)

Longbiao, Li

2015-12-01

An analytical methodology has been developed to investigate the effect of fiber Poisson contraction on matrix multicracking evolution of fiber-reinforced ceramic-matrix composites (CMCs). The modified shear-lag model incorporated with the Coulomb friction law is adopted to solve the stress distribution in the interface slip region and intact region of the damaged composite. The critical matrix strain energy criterion which presupposes the existence of an ultimate or critical strain energy limit beyond which the matrix fails has been adopted to describe matrix multicracking of CMCs. As more energy is placed into the composite, matrix fractures and the interface debonding occurs to dissipate the extra energy. The interface debonded length under the process of matrix multicracking is obtained by treating the interface debonding as a particular crack propagation problem along the fiber/matrix interface. The effects of the interfacial frictional coefficient, fiber Poisson ratio, fiber volume fraction, interface debonded energy and cycle number on the interface debonding and matrix multicracking evolution have been analyzed. The theoretical results are compared with experimental data of unidirectional SiC/CAS, SiC/CAS-II and SiC/Borosilicate composites.

Modeling for Matrix Multicracking Evolution of Cross-ply Ceramic-Matrix Composites Using Energy Balance Approach

NASA Astrophysics Data System (ADS)

Longbiao, Li

2015-12-01

The matrix multicracking evolution of cross-ply ceramic-matrix composites (CMCs) has been investigated using energy balance approach. The multicracking of cross-ply CMCs was classified into five modes, i.e., (1) mode 1: transverse multicracking; (2) mode 2: transverse multicracking and matrix multicracking with perfect fiber/matrix interface bonding; (3) mode 3: transverse multicracking and matrix multicracking with fiber/matrix interface debonding; (4) mode 4: matrix multicracking with perfect fiber/matrix interface bonding; and (5) mode 5: matrix multicracking with fiber/matrix interface debonding. The stress distributions of four cracking modes, i.e., mode 1, mode 2, mode 3 and mode 5, are analysed using shear-lag model. The matrix multicracking evolution of mode 1, mode 2, mode 3 and mode 5, has been determined using energy balance approach. The effects of ply thickness and fiber volume fraction on matrix multicracking evolution of cross-ply CMCs have been investigated.

Simplified microstrip discontinuity modeling using the transmission line matrix method interfaced to microwave CAD

NASA Astrophysics Data System (ADS)

Thompson, James H.; Apel, Thomas R.

1990-07-01

A technique for modeling microstrip discontinuities is presented which is derived from the transmission line matrix method of solving three-dimensional electromagnetic problems. In this technique the microstrip patch under investigation is divided into an integer number of square and half-square (triangle) subsections. An equivalent lumped-element model is calculated for each subsection. These individual models are then interconnected as dictated by the geometry of the patch. The matrix of lumped elements is then solved using either of two microwave CAD software interfaces with each port properly defined. Closed-form expressions for the lumped-element representation of the individual subsections is presented and experimentally verified through the X-band frequency range. A model demonstrating the use of symmetry and block construction of a circuit element is discussed, along with computer program development and CAD software interface.

A partially penalty immersed Crouzeix-Raviart finite element method for interface problems.

PubMed

An, Na; Yu, Xijun; Chen, Huanzhen; Huang, Chaobao; Liu, Zhongyan

2017-01-01

The elliptic equations with discontinuous coefficients are often used to describe the problems of the multiple materials or fluids with different densities or conductivities or diffusivities. In this paper we develop a partially penalty immersed finite element (PIFE) method on triangular grids for anisotropic flow models, in which the diffusion coefficient is a piecewise definite-positive matrix. The standard linear Crouzeix-Raviart type finite element space is used on non-interface elements and the piecewise linear Crouzeix-Raviart type immersed finite element (IFE) space is constructed on interface elements. The piecewise linear functions satisfying the interface jump conditions are uniquely determined by the integral averages on the edges as degrees of freedom. The PIFE scheme is given based on the symmetric, nonsymmetric or incomplete interior penalty discontinuous Galerkin formulation. The solvability of the method is proved and the optimal error estimates in the energy norm are obtained. Numerical experiments are presented to confirm our theoretical analysis and show that the newly developed PIFE method has optimal-order convergence in the [Formula: see text] norm as well. In addition, numerical examples also indicate that this method is valid for both the isotropic and the anisotropic elliptic interface problems.

Progress on a generalized coordinates tensor product finite element 3DPNS algorithm for subsonic

NASA Technical Reports Server (NTRS)

Baker, A. J.; Orzechowski, J. A.

1983-01-01

A generalized coordinates form of the penalty finite element algorithm for the 3-dimensional parabolic Navier-Stokes equations for turbulent subsonic flows was derived. This algorithm formulation requires only three distinct hypermatrices and is applicable using any boundary fitted coordinate transformation procedure. The tensor matrix product approximation to the Jacobian of the Newton linear algebra matrix statement was also derived. Tne Newton algorithm was restructured to replace large sparse matrix solution procedures with grid sweeping using alpha-block tridiagonal matrices, where alpha equals the number of dependent variables. Numerical experiments were conducted and the resultant data gives guidance on potentially preferred tensor product constructions for the penalty finite element 3DPNS algorithm.

Generalization of the Mulliken-Hush treatment for the calculation of electron transfer matrix elements

NASA Astrophysics Data System (ADS)

Cave, Robert J.; Newton, Marshall D.

1996-01-01

A new method for the calculation of the electronic coupling matrix element for electron transfer processes is introduced and results for several systems are presented. The method can be applied to ground and excited state systems and can be used in cases where several states interact strongly. Within the set of states chosen it is a non-perturbative treatment, and can be implemented using quantities obtained solely in terms of the adiabatic states. Several applications based on quantum chemical calculations are briefly presented. Finally, since quantities for adiabatic states are the only input to the method, it can also be used with purely experimental data to estimate electron transfer matrix elements.

Discoveries far from the lamppost with matrix elements and ranking

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

Debnath, Dipsikha; Gainer, James S.; Matchev, Konstantin T.

2015-04-01

The prevalence of null results in searches for new physics at the LHC motivates the effort to make these searches as model-independent as possible. We describe procedures for adapting the Matrix Element Method for situations where the signal hypothesis is not known a priori. We also present general and intuitive approaches for performing analyses and presenting results, which involve the flattening of background distributions using likelihood information. The first flattening method involves ranking events by background matrix element, the second involves quantile binning with respect to likelihood (and other) variables, and the third method involves reweighting histograms by the inversemore » of the background distribution.« less

Substantial enhancement of energy storage capability in polymer nanocomposites by encapsulation of BaTiO3 NWs with variable shell thickness.

PubMed

Wang, Guanyao; Huang, Yanhui; Wang, Yuxin; Jiang, Pingkai; Huang, Xingyi

2017-08-09

Dielectric polymer nanocomposites have received keen interest due to their potential application in energy storage. Nevertheless, the large contrast in dielectric constant between the polymer and nanofillers usually results in a significant decrease of breakdown strength of the nanocomposites, which is unfavorable for enhancing energy storage capability. Herein, BaTiO 3 nanowires (NWs) encapsulated by TiO 2 shells of variable thickness were utilized to fabricate dielectric polymer nanocomposites. Compared with nanocomposites with bare BaTiO 3 NWs, significantly enhanced energy storage capability was achieved for nanocomposites with TiO 2 encapsulated BaTiO 3 NWs. For instance, an ultrahigh energy density of 9.53 J cm -3 at 440 MV m -1 could be obtained for nanocomposites comprising core-shell structured nanowires, much higher than that of nanocomposites with 5 wt% raw ones (5.60 J cm -3 at 360 MV m -1 ). The discharged energy density of the proposed nanocomposites with 5 wt% mTiO 2 @BaTiO 3 -1 NWs at 440 MV m -1 seems to rival or exceed those of some previously reported nanocomposites (mostly comprising core-shell structured nanofillers). More notably, this study revealed that the energy storage capability of the nanocomposites can be tailored by the TiO 2 shell thickness. Finite element simulations were employed to analyze the electric field distribution in the nanocomposites. The enhanced energy storage capability should be mainly attributed to the smoother gradient of dielectric constant between the nanofillers and polymer matrix, which alleviated the electric field concentration and leakage current in the polymer matrix. The methods and results herein offer a feasible approach to construct high-energy-density polymer nanocomposites with core-shell structured nanowires.

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

Yan, Jing; Jeong, Young Gyu, E-mail: ygjeong@cnu.ac.kr

High performance elastomeric electric heating elements were prepared by incorporating various contents of pristine multiwalled carbon nanotube (MWCNT) in polydimethylsiloxane (PDMS) matrix by using an efficient solution-casting and curing technique. The pristine MWCNTs were identified to be uniformly dispersed in the PDMS matrix and the electrical percolation of MWCNTs was evaluated to be at ∼0.27 wt. %, where the electrical resistivity of the MWCNT/PDMS composite films dropped remarkably. Accordingly, the composite films with higher MWCNT contents above 0.3 wt. % exhibit excellent electric heating performance in terms of temperature response rapidity and electric energy efficiency at constant applied voltages. In addition, the composite films,more » which were thermally stable up to 250 °C, showed excellent heating-cooling cyclic performance, which was associated with operational stability in actual electric heating applications.« less

Integrated optic vector-matrix multiplier

DOEpatents

Watts, Michael R [Albuquerque, NM

2011-09-27

A vector-matrix multiplier is disclosed which uses N different wavelengths of light that are modulated with amplitudes representing elements of an N.times.1 vector and combined to form an input wavelength-division multiplexed (WDM) light stream. The input WDM light stream is split into N streamlets from which each wavelength of the light is individually coupled out and modulated for a second time using an input signal representing elements of an M.times.N matrix, and is then coupled into an output waveguide for each streamlet to form an output WDM light stream which is detected to generate a product of the vector and matrix. The vector-matrix multiplier can be formed as an integrated optical circuit using either waveguide amplitude modulators or ring resonator amplitude modulators.

Extracting electron transfer coupling elements from constrained density functional theory

NASA Astrophysics Data System (ADS)

Wu, Qin; Van Voorhis, Troy

2006-10-01

Constrained density functional theory (DFT) is a useful tool for studying electron transfer (ET) reactions. It can straightforwardly construct the charge-localized diabatic states and give a direct measure of the inner-sphere reorganization energy. In this work, a method is presented for calculating the electronic coupling matrix element (Hab) based on constrained DFT. This method completely avoids the use of ground-state DFT energies because they are known to irrationally predict fractional electron transfer in many cases. Instead it makes use of the constrained DFT energies and the Kohn-Sham wave functions for the diabatic states in a careful way. Test calculations on the Zn2+ and the benzene-Cl atom systems show that the new prescription yields reasonable agreement with the standard generalized Mulliken-Hush method. We then proceed to produce the diabatic and adiabatic potential energy curves along the reaction pathway for intervalence ET in the tetrathiafulvalene-diquinone (Q-TTF-Q) anion. While the unconstrained DFT curve has no reaction barrier and gives Hab≈17kcal /mol, which qualitatively disagrees with experimental results, the Hab calculated from constrained DFT is about 3kcal /mol and the generated ground state has a barrier height of 1.70kcal/mol, successfully predicting (Q-TTF-Q)- to be a class II mixed-valence compound.

Analysis of helium-ion scattering with a desktop computer

NASA Astrophysics Data System (ADS)

Butler, J. W.

1986-04-01

This paper describes a program written in an enhanced BASIC language for a desktop computer, for simulating the energy spectra of high-energy helium ions scattered into two concurrent detectors (backward and glancing). The program is designed for 512-channel spectra from samples containing up to 8 elements and 55 user-defined layers. The program is intended to meet the needs of analyses in materials sciences, such as metallurgy, where more than a few elements may be present, where several elements may be near each other in the periodic table, and where relatively deep structure may be important. These conditions preclude the use of completely automatic procedures for obtaining the sample composition directly from the scattered ion spectrum. Therefore, efficient methods are needed for entering and editing large amounts of composition data, with many iterations and with much feedback of information from the computer to the user. The internal video screen is used exclusively for verbal and numeric communications between user and computer. The composition matrix is edited on screen with a two-dimension forms-fill-in text editor and with many automatic procedures, such as doubling the number of layers with appropriate interpolations and extrapolations. The control center of the program is a bank of 10 keys that initiate on-event branching of program flow. The experimental and calculated spectra, including those of individual elements if desired, are displayed on an external color monitor, with an optional inset plot of the depth concentration profiles of the elements in the sample.

Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde: an ab initio study of time-resolved photoelectron spectra.

PubMed

do N Varella, Márcio T; Arasaki, Yasuki; Ushiyama, Hiroshi; Takatsuka, Kazuo; Wang, Kwanghsi; McKoy, Vincent

2007-02-07

The authors report on studies of time-resolved photoelectron spectra of intramolecular proton transfer in the ground state of chloromalonaldehyde, employing ab initio photoionization matrix elements and effective potential surfaces of reduced dimensionality, wherein the couplings of proton motion to the other molecular vibrational modes are embedded by averaging over classical trajectories. In the simulations, population is transferred from the vibrational ground state to vibrationally hot wave packets by pumping to an excited electronic state and dumping with a time-delayed pulse. These pump-dump-probe simulations demonstrate that the time-resolved photoelectron spectra track proton transfer in the electronic ground state well and, furthermore, that the geometry dependence of the matrix elements enhances the tracking compared with signals obtained with the Condon approximation. Photoelectron kinetic energy distributions arising from wave packets localized in different basins are also distinguishable and could be understood, as expected, on the basis of the strength of the optical couplings in different regions of the ground state potential surface and the Franck-Condon overlaps of the ground state wave packets with the vibrational eigenstates of the ion potential surface.

Search for a standard model Higgs boson produced in association with a top-quark pair and decaying to bottom quarks using a matrix element method

DOE PAGES

Khachatryan, Vardan

2015-06-09

A search for a standard model Higgs boson produced in association with a top-quark pair and decaying to bottom quarks is presented. Events with hadronic jets and one or two oppositely charged leptons are selected from a data sample corresponding to an integrated luminosity of 19.5fb -1 collected by the CMS experiment at the LHC in pp collisions at a centre-of-mass energy of 8TeV. In order to separate the signal from the larger tt¯ + jets background, this analysis uses a matrix element method that assigns a probability density value to each reconstructed event under signal or background hypotheses. Themore » ratio between the two values is used in a maximum likelihood fit to extract the signal yield. The results are presented in terms of the measured signal strength modifier, μ, relative to the standard model prediction for a Higgs boson mass of 125GeV. The observed (expected) exclusion limit at a 95 % confidence level is μ < 4.2 (3.3), corresponding to a best fit value μ^ = 1.2 +1.6 -1.5.« less

Search for a standard model Higgs boson produced in association with a top-quark pair and decaying to bottom quarks using a matrix element method.

PubMed

Khachatryan, V; Sirunyan, A M; Tumasyan, A; Adam, W; Bergauer, T; Dragicevic, M; Erö, J; Friedl, M; Frühwirth, R; Ghete, V M; Hartl, C; Hörmann, N; Hrubec, J; Jeitler, M; Kiesenhofer, W; Knünz, V; Krammer, M; Krätschmer, I; Liko, D; Mikulec, I; Rabady, D; Rahbaran, B; Rohringer, H; Schöfbeck, R; Strauss, J; Treberer-Treberspurg, W; Waltenberger, W; Wulz, C-E; Mossolov, V; Shumeiko, N; Suarez Gonzalez, J; Alderweireldt, S; Bansal, S; Cornelis, T; De Wolf, E A; Janssen, X; Knutsson, A; Lauwers, J; Luyckx, S; Ochesanu, S; Rougny, R; Van De Klundert, M; Van Haevermaet, H; Van Mechelen, P; Van Remortel, N; Van Spilbeeck, A; Blekman, F; Blyweert, S; D'Hondt, J; Daci, N; Heracleous, N; Keaveney, J; Lowette, S; Maes, M; Olbrechts, A; Python, Q; Strom, D; Tavernier, S; Van Doninck, W; Van Mulders, P; Van Onsem, G P; Villella, I; Caillol, C; Clerbaux, B; De Lentdecker, G; Dobur, D; Favart, L; Gay, A P R; Grebenyuk, A; Léonard, A; Mohammadi, A; Perniè, L; Randle-Conde, A; Reis, T; Seva, T; Thomas, L; Vander Velde, C; Vanlaer, P; Wang, J; Zenoni, F; Adler, V; Beernaert, K; Benucci, L; Cimmino, A; Costantini, S; Crucy, S; Fagot, A; Garcia, G; Mccartin, J; Ocampo Rios, A A; Poyraz, D; Ryckbosch, D; Salva Diblen, S; Sigamani, M; Strobbe, N; Thyssen, F; Tytgat, M; Yazgan, E; Zaganidis, N; Basegmez, S; Beluffi, C; Bruno, G; Castello, R; Caudron, A; Ceard, L; Da Silveira, G G; Delaere, C; du Pree, T; Favart, D; Forthomme, L; Giammanco, A; Hollar, J; Jafari, A; Jez, P; Komm, M; Lemaitre, V; Nuttens, C; Pagano, D; Perrini, L; Pin, A; Piotrzkowski, K; Popov, A; Quertenmont, L; Selvaggi, M; Vidal Marono, M; Vizan Garcia, J M; Beliy, N; Caebergs, T; Daubie, E; Hammad, G H; Júnior, W L Aldá; Alves, G A; Brito, L; Correa Martins Junior, M; Martins, T Dos Reis; Molina, J; Mora Herrera, C; Pol, M E; Rebello Teles, P; Carvalho, W; Chinellato, J; Custódio, A; Da Costa, E M; De Jesus Damiao, D; De Oliveira Martins, C; Fonseca De Souza, S; Malbouisson, H; Matos Figueiredo, D; Mundim, L; Nogima, H; Prado Da Silva, W L; Santaolalla, J; Santoro, A; Sznajder, A; Tonelli Manganote, E J; Vilela Pereira, A; Bernardes, C A; Dogra, S; Fernandez Perez Tomei, T R; Gregores, E M; Mercadante, P G; Novaes, S F; Padula, Sandra S; Aleksandrov, A; Genchev, V; Hadjiiska, R; Iaydjiev, P; Marinov, A; Piperov, S; Rodozov, M; Stoykova, S; Sultanov, G; Vutova, M; Dimitrov, A; Glushkov, I; Litov, L; Pavlov, B; Petkov, P; Bian, J G; Chen, G M; Chen, H S; Chen, M; Cheng, T; Du, R; Jiang, C H; Plestina, R; Romeo, F; Tao, J; Wang, Z; Asawatangtrakuldee, C; Ban, Y; Liu, S; Mao, Y; Qian, S J; Wang, D; Xu, Z; Zhang, F; Zhang, L; Zou, W; Avila, C; Cabrera, A; Chaparro Sierra, L F; Florez, C; Gomez, J P; Gomez Moreno, B; Sanabria, J C; Godinovic, N; Lelas, D; Polic, D; Puljak, I; Antunovic, Z; Kovac, M; Brigljevic, V; Kadija, K; Luetic, J; Mekterovic, D; Sudic, L; Attikis, A; Mavromanolakis, G; Mousa, J; Nicolaou, C; Ptochos, F; Razis, P A; Rykaczewski, H; Bodlak, M; Finger, M; Finger, M; Assran, Y; Ellithi Kamel, A; Mahmoud, M A; Radi, A; Kadastik, M; Murumaa, M; Raidal, M; Tiko, A; Eerola, P; Voutilainen, M; Härkönen, J; Karimäki, V; Kinnunen, R; Lampén, T; Lassila-Perini, K; Lehti, S; Lindén, T; Luukka, P; Mäenpää, T; Peltola, T; Tuominen, E; Tuominiemi, J; Tuovinen, E; Wendland, L; Talvitie, J; Tuuva, T; Besancon, M; Couderc, F; Dejardin, M; Denegri, D; Fabbro, B; Faure, J L; Favaro, C; Ferri, F; Ganjour, S; Givernaud, A; Gras, P; Hamel de Monchenault, G; Jarry, P; Locci, E; Malcles, J; Rander, J; Rosowsky, A; Titov, M; Baffioni, S; Beaudette, F; Busson, P; Chapon, E; Charlot, C; Dahms, T; Dobrzynski, L; Filipovic, N; Florent, A; Granier de Cassagnac, R; Mastrolorenzo, L; Miné, P; Naranjo, I N; Nguyen, M; Ochando, C; Ortona, G; Paganini, P; Regnard, S; Salerno, R; Sauvan, J B; Sirois, Y; Veelken, C; Yilmaz, Y; Zabi, A; Agram, J-L; Andrea, J; Aubin, A; Bloch, D; Brom, J-M; Chabert, E C; Chanon, N; Collard, C; Conte, E; Fontaine, J-C; Gelé, D; Goerlach, U; Goetzmann, C; Le Bihan, A-C; Skovpen, K; Van Hove, P; Gadrat, S; Beauceron, S; Beaupere, N; Bernet, C; Boudoul, G; Bouvier, E; Brochet, S; Carrillo Montoya, C A; Chasserat, J; Chierici, R; Contardo, D; Courbon, B; Depasse, P; El Mamouni, H; Fan, J; Fay, J; Gascon, S; Gouzevitch, M; Ille, B; Kurca, T; Lethuillier, M; Mirabito, L; Pequegnot, A L; Perries, S; Ruiz Alvarez, J D; Sabes, D; Sgandurra, L; Sordini, V; Vander Donckt, M; Verdier, P; Viret, S; Xiao, H; Tsamalaidze, Z; Autermann, C; Beranek, S; Bontenackels, M; Edelhoff, M; Feld, L; Heister, A; Klein, K; Lipinski, M; Ostapchuk, A; Preuten, M; Raupach, F; Sammet, J; Schael, S; Schulte, J F; Weber, H; Wittmer, B; Zhukov, V; Ata, M; Brodski, M; Dietz-Laursonn, E; Duchardt, D; Erdmann, M; Fischer, R; Güth, A; Hebbeker, T; Heidemann, C; Hoepfner, K; Klingebiel, D; Knutzen, S; Kreuzer, P; Merschmeyer, M; Meyer, A; Mittag, G; Millet, P; Olschewski, M; Padeken, K; Papacz, P; Reithler, H; Schmitz, S A; Sonnenschein, L; Teyssier, D; Thüer, S; Cherepanov, V; Erdogan, Y; Flügge, G; Geenen, H; Geisler, M; Haj Ahmad, W; Hoehle, F; Kargoll, B; Kress, T; Kuessel, Y; Künsken, A; Lingemann, J; Nowack, A; Nugent, I M; Pistone, C; Pooth, O; Stahl, A; Aldaya Martin, M; Asin, I; Bartosik, N; Behr, J; Behrens, U; Bell, A J; Bethani, A; Borras, K; Burgmeier, A; Cakir, A; Calligaris, L; Campbell, A; Choudhury, S; Costanza, F; Diez Pardos, C; Dolinska, G; Dooling, S; Dorland, T; Eckerlin, G; Eckstein, D; Eichhorn, T; Flucke, G; Garcia, J Garay; Geiser, A; Gizhko, A; Gunnellini, P; Hauk, J; Hempel, M; Jung, H; Kalogeropoulos, A; Karacheban, O; Kasemann, M; Katsas, P; Kieseler, J; Kleinwort, C; Korol, I; Krücker, D; Lange, W; Leonard, J; Lipka, K; Lobanov, A; Lohmann, W; Lutz, B; Mankel, R; Marfin, I; Melzer-Pellmann, I-A; Meyer, A B; Mnich, J; Mussgiller, A; Naumann-Emme, S; Nayak, A; Ntomari, E; Perrey, H; Pitzl, D; Placakyte, R; Raspereza, A; Ribeiro Cipriano, P M; Roland, B; Ron, E; Sahin, M Ö; Salfeld-Nebgen, J; Saxena, P; Schoerner-Sadenius, T; Schröder, M; Seitz, C; Spannagel, S; Vargas Trevino, A D R; Walsh, R; Wissing, C; Blobel, V; Centis Vignali, M; Draeger, A R; Erfle, J; Garutti, E; Goebel, K; Görner, M; Haller, J; Hoffmann, M; Höing, R S; Junkes, A; Kirschenmann, H; Klanner, R; Kogler, R; Lapsien, T; Lenz, T; Marchesini, I; Marconi, D; Nowatschin, D; Ott, J; Peiffer, T; Perieanu, A; Pietsch, N; Poehlsen, J; Poehlsen, T; Rathjens, D; Sander, C; Schettler, H; Schleper, P; Schlieckau, E; Schmidt, A; Seidel, M; Sola, V; Stadie, H; Steinbrück, G; Troendle, D; Usai, E; Vanelderen, L; Vanhoefer, A; Akbiyik, M; Barth, C; Baus, C; Berger, J; Böser, C; Butz, E; Chwalek, T; De Boer, W; Descroix, A; Dierlamm, A; Feindt, M; Frensch, F; Giffels, M; Gilbert, A; Hartmann, F; Hauth, T; Husemann, U; Katkov, I; Kornmayer, A; Lobelle Pardo, P; Mozer, M U; Müller, T; Müller, Th; Nürnberg, A; Quast, G; Rabbertz, K; Röcker, S; Simonis, H J; Stober, F M; Ulrich, R; Wagner-Kuhr, J; Wayand, S; Weiler, T; Wöhrmann, C; Wolf, R; Anagnostou, G; Daskalakis, G; Geralis, T; Giakoumopoulou, V A; Kyriakis, A; Loukas, D; 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Weinberg, M; Baarmand, M M; Hohlmann, M; Kalakhety, H; Yumiceva, F; Adams, M R; Apanasevich, L; Berry, D; Betts, R R; Bucinskaite, I; Cavanaugh, R; Evdokimov, O; Gauthier, L; Gerber, C E; Hofman, D J; Kurt, P; O'Brien, C; Sandoval Gonzalez, I D; Silkworth, C; Turner, P; Varelas, N; Bilki, B; Clarida, W; Dilsiz, K; Haytmyradov, M; Khristenko, V; Merlo, J-P; Mermerkaya, H; Mestvirishvili, A; Moeller, A; Nachtman, J; Ogul, H; Onel, Y; Ozok, F; Penzo, A; Rahmat, R; Sen, S; Tan, P; Tiras, E; Wetzel, J; Yi, K; Anderson, I; Barnett, B A; Blumenfeld, B; Bolognesi, S; Fehling, D; Gritsan, A V; Maksimovic, P; Martin, C; Swartz, M; Xiao, M; Baringer, P; Bean, A; Benelli, G; Bruner, C; Gray, J; Kenny, R P; Majumder, D; Malek, M; Murray, M; Noonan, D; Sanders, S; Sekaric, J; Stringer, R; Wang, Q; Wood, J S; Chakaberia, I; Ivanov, A; Kaadze, K; Khalil, S; Makouski, M; Maravin, Y; Saini, L K; Skhirtladze, N; Svintradze, I; Gronberg, J; Lange, D; Rebassoo, F; Wright, D; Anelli, C; Baden, A; Belloni, A; Calvert, B; Eno, S C; Gomez, J A; Hadley, N J; Jabeen, S; Kellogg, R G; Kolberg, T; Lu, Y; Mignerey, A C; Pedro, K; Shin, Y H; Skuja, A; Tonjes, M B; Tonwar, S C; Apyan, A; Barbieri, R; Baty, A; Bierwagen, K; Brandt, S; Busza, W; Cali, I A; Di Matteo, L; Gomez Ceballos, G; Goncharov, M; Gulhan, D; Klute, M; Lai, Y S; Lee, Y-J; Levin, A; Luckey, P D; Paus, C; Ralph, D; Roland, C; Roland, G; Stephans, G S F; Sumorok, K; Velicanu, D; Veverka, J; Wyslouch, B; Yang, M; Yoon, A S; Zanetti, M; Zhukova, V; Dahmes, B; De Benedetti, A; Gude, A; Kao, S C; Klapoetke, K; Kubota, Y; Mans, J; Nourbakhsh, S; Rusack, R; Singovsky, A; Tambe, N; Turkewitz, J; Acosta, J G; Cremaldi, L M; Kroeger, R; Oliveros, S; Perera, L; Sanders, D A; Summers, D; Avdeeva, E; Bloom, K; Bose, S; Claes, D R; Dominguez, A; Gonzalez Suarez, R; Keller, J; Knowlton, D; Kravchenko, I; Lazo-Flores, J; Meier, F; Ratnikov, F; Snow, G R; Zvada, M; Dolen, J; Godshalk, A; Iashvili, I; Jain, S; Kharchilava, A; Kumar, A; Rappoccio, S; Alverson, G; Barberis, E; Baumgartel, D; Chasco, M; Massironi, A; Nash, D; Orimoto, T; Trocino, D; Wood, D; Zhang, J; Anastassov, A; Hahn, K A; Kubik, A; Lusito, L; Mucia, N; Odell, N; Pollack, B; Pozdnyakov, A; Schmitt, M; Stoynev, S; Sung, K; Trovato, M; Velasco, M; Won, S; Brinkerhoff, A; Chan, K M; Drozdetskiy, A; Hildreth, M; Jessop, C; Karmgard, D J; Kellams, N; Lannon, K; Lynch, S; Marinelli, N; Musienko, Y; Pearson, T; Planer, M; Ruchti, R; Valls, N; Smith, G; Wayne, M; Wolf, M; Woodard, A; Antonelli, L; Brinson, J; Bylsma, B; Durkin, L S; Flowers, S; Hart, A; Hill, C; Hughes, R; Kotov, K; Ling, T Y; Luo, W; Puigh, D; Rodenburg, M; Winer, B L; Wolfe, H; Wulsin, H W; Driga, O; Elmer, P; Hardenbrook, J; Hebda, P; Koay, S A; Lujan, P; Marlow, D; Medvedeva, T; Mooney, M; Olsen, J; Piroué, P; Quan, X; Saka, H; Stickland, D; Tully, C; Werner, J S; Zuranski, A; Brownson, E; Malik, S; Mendez, H; Ramirez Vargas, J E; Barnes, V E; Benedetti, D; Bortoletto, D; Gutay, L; Hu, Z; Jha, M K; Jones, M; Jung, K; Kress, M; Leonardo, N; Miller, D H; Neumeister, N; Primavera, F; Radburn-Smith, B C; Shi, X; Shipsey, I; Silvers, D; Svyatkovskiy, A; Wang, F; Xie, W; Xu, L; Zablocki, J; Parashar, N; Stupak, J; Adair, A; Akgun, B; Ecklund, K M; Geurts, F J M; Li, W; Michlin, B; Padley, B P; Redjimi, R; Roberts, J; Zabel, J; Betchart, B; Bodek, A; de Barbaro, P; Demina, R; Eshaq, Y; Ferbel, T; Galanti, M; Garcia-Bellido, A; Goldenzweig, P; Han, J; Harel, A; Hindrichs, O; Khukhunaishvili, A; Korjenevski, S; Petrillo, G; Verzetti, M; Vishnevskiy, D; Ciesielski, R; Demortier, L; Goulianos, K; Mesropian, C; Arora, S; Barker, A; Chou, J P; Contreras-Campana, C; Contreras-Campana, E; Duggan, D; Ferencek, D; Gershtein, Y; Gray, R; Halkiadakis, E; Hidas, D; Hughes, E; Kaplan, S; Kunnawalkam Elayavalli, R; Lath, A; Panwalkar, S; Park, M; Salur, S; Schnetzer, S; Sheffield, D; Somalwar, S; Stone, R; Thomas, S; Thomassen, P; Walker, M; Rose, K; Spanier, S; York, A; Bouhali, O; Castaneda Hernandez, A; Dalchenko, M; De Mattia, M; Dildick, S; Eusebi, R; Flanagan, W; Gilmore, J; Kamon, T; Khotilovich, V; Krutelyov, V; Montalvo, R; Osipenkov, I; Pakhotin, Y; Patel, R; Perloff, A; Roe, J; Rose, A; Safonov, A; Suarez, I; Tatarinov, A; Ulmer, K A; Akchurin, N; Cowden, C; Damgov, J; Dragoiu, C; Dudero, P R; Faulkner, J; Kovitanggoon, K; Kunori, S; Lee, S W; Libeiro, T; Volobouev, I; Appelt, E; Delannoy, A G; Greene, S; Gurrola, A; Johns, W; Maguire, C; Mao, Y; Melo, A; Sharma, M; Sheldon, P; Snook, B; Tuo, S; Velkovska, J; Arenton, M W; Boutle, S; Cox, B; Francis, B; Goodell, J; Hirosky, R; Ledovskoy, A; Li, H; Lin, C; Neu, C; Wolfe, E; Wood, J; Clarke, C; Harr, R; Karchin, P E; Kottachchi Kankanamge Don, C; Lamichhane, P; Sturdy, J; Belknap, D A; Carlsmith, D; Cepeda, M; Dasu, S; Dodd, L; Duric, S; Friis, E; Hall-Wilton, R; Herndon, M; Hervé, A; Klabbers, P; Lanaro, A; Lazaridis, C; Levine, A; Loveless, R; Mohapatra, A; Ojalvo, I; Perry, T; Pierro, G A; Polese, G; Ross, I; Sarangi, T; Savin, A; Smith, W H; Taylor, D; Vuosalo, C; Woods, N; Collaboration, Authorinst The Cms

A search for a standard model Higgs boson produced in association with a top-quark pair and decaying to bottom quarks is presented. Events with hadronic jets and one or two oppositely charged leptons are selected from a data sample corresponding to an integrated luminosity of 19.5[Formula: see text] collected by the CMS experiment at the LHC in [Formula: see text] collisions at a centre-of-mass energy of 8[Formula: see text]. In order to separate the signal from the larger [Formula: see text]  + jets background, this analysis uses a matrix element method that assigns a probability density value to each reconstructed event under signal or background hypotheses. The ratio between the two values is used in a maximum likelihood fit to extract the signal yield. The results are presented in terms of the measured signal strength modifier, [Formula: see text], relative to the standard model prediction for a Higgs boson mass of 125[Formula: see text]. The observed (expected) exclusion limit at a 95 % confidence level is [Formula: see text] (3.3), corresponding to a best fit value [Formula: see text].

Equivalence between short-time biphasic and incompressible elastic material responses.

PubMed

Ateshian, Gerard A; Ellis, Benjamin J; Weiss, Jeffrey A

2007-06-01

Porous-permeable tissues have often been modeled using porous media theories such as the biphasic theory. This study examines the equivalence of the short-time biphasic and incompressible elastic responses for arbitrary deformations and constitutive relations from first principles. This equivalence is illustrated in problems of unconfined compression of a disk, and of articular contact under finite deformation, using two different constitutive relations for the solid matrix of cartilage, one of which accounts for the large disparity observed between the tensile and compressive moduli in this tissue. Demonstrating this equivalence under general conditions provides a rationale for using available finite element codes for incompressible elastic materials as a practical substitute for biphasic analyses, so long as only the short-time biphasic response is sought. In practice, an incompressible elastic analysis is representative of a biphasic analysis over the short-term response deltat

Relativistic calculations of atomic properties

NASA Astrophysics Data System (ADS)

Kaur, Jasmeet; Sahoo, B. K.; Arora, Bindiya

2017-04-01

Singly charged ions are engaging candidates in many areas of Physics. They are especially important in astrophysics for evaluating the radiative properties of stellar objects, in optical frequency standards and for fundamental physics studies such as searches for permanent electric dipole moments and atomic parity violation. Interpretation of these experiments often requires a knowledge of their transition wavelengths and electric dipole amplitudes. In this work, we discuss the calculation of various properties of alkaline earth ions. The relativistic all-order SD method in which all single and double excitations of the Dirac-Fock wave function are included, is used to calculate these atomic properties. We use this method for evaluation of electric dipole matrix elements of alkaline earth ions. Combination of these matrix elements with experimental energies allow to obtain the polarizabilities of ground and excited states of ions. We discuss the applications of estimated polarizabiities as a function of imaginary frequencies in the calculations of long-range atom-ion interactions. We have also located the magic wavelengths for nS1 / 2 - nD3 / 2 , 5 / 2 transitions of alkaline earth ions. These calculated properties will be highly valuable to atomic and astrophysics community. UGC-BSR Grant No. F.7-273/2009/BSR.

The effect of Si-contents on the impact properties and dynamic graphite growth for cast iron QT400-18L

NASA Astrophysics Data System (ADS)

Lipeng, Jiang; Yingdong, Qu; Rongde, Li

2018-03-01

Low temperature impact test of QT400-18L ductile iron was investigated. The microstructure and fracture morphology were analyzed by the optical microscope and scanning electron microscope. The effect of different Si content on the graphite growth by liquid quenching method was discussed. There are the highest impact energies for the cast iron with 2.1% of Si over the whole investigated temperature range (‑60 to 20 °C). With the Si element addition increased from 1.9% to 2.1%, the graphite nodulizing grade of QT400 18L is increased from 5 to 7. However the graphite nodulizing grade is reduced from 7 to 6 with Si content increasing from 2.1% to 2.3%. When the Si element addition is exceed 2.1%, the excess of Si content also leads to abnormal graphite. The large size of the abnormal graphite is equivalent to a larger microcrack in the ferrite matrix, and it is helpful for the crack propagation. Large size of abnormal graphite not only destroyed the continuity of ferritic matrix, but also it creates the stress concentration in the surrounding.

Physical and Chemical Study of Minerals and Rocks Containing Low-Z Compounds of Interest to Astrobiology and Origin of Life

NASA Technical Reports Server (NTRS)

1999-01-01

Understanding the origins of Life requires a good understanding of the physics and chemistry of biogenic low-z elements H, C, N, O, P, S in terrestrial environments, on Mars, on extraterrestrial bodies such as meteorite parent bodies and comets, and in interstellar space. In this Proposal five Tasks form a coherent program aimed at elucidating various aspects of low-z element geo- and cosmochemistry with special reference to the origin of Life on Earth and to the search for life on Mars, extant or extinct. (i) Formation of organic molecules, in particular oxygenated H-C-0 molecules or precursors thereof of the composition H(x)C(y)O(z)(n-), inside the hard matrix of structurally dense magmatic minerals; (ii) Formation of organic molecules inside the soft matrix of amorphous and crystalline water ice; (iii) Preservation of organic molecules in cherts and other siliceous rocks formed in hot spring or submarine hydrothermal vent environments; (iv) The nature of the elusive Martian soil oxidant; and (v) Prototype development of an XRD instrument, using a new patented XRD camera concept that utilizes a Charge Coupled Device (CCD) as a camera and as a energy-dispersive analyzer.

Characterization of ball-milled carbon nanotube dispersed aluminum mixed powders

NASA Astrophysics Data System (ADS)

Maleque, M. A.; Abdullah, U.; Yaacob, I.; Ali, Y.

2016-04-01

Currently, carbon nanotube (CNT) is attracting much interest as fibrous materials for reinforcing aluminum matrix composites due to unique properties, such as high strength, elastic modulus, flexibility and high aspect ratios. However, the quality of the dispersion is the major concerning factor which determines the homogeneity of the enhanced mechanical and tribological properties of the composite. This work study and characterized carbon nanotube dispersion in ballmilled CNT-aluminum mixed powders with four different formulations such as 1, 1.5, 2 and 2.5 wt% CNT under high energy planetary ball milling operations. The ball milling was performed for two hours at constant milling speed of 250 rpm under controlled atmosphere. The characterization is performed using FESEM and EDX analyzer for mapping, elemental and line analysis. The experimental results showed homogeneous dispersion of CNTs in aluminum matrix. The composite mixture showed similar pattern from mapping, elemental and line analysis. Identification of only two peaks proved that controlled atmosphere during milling prevented the formation of inter metallic compounds such as aluminum carbide in the composite mixture. Therefore, this CNT-A1 composite powder mixture can be used for new nano-composite development without any agglomeration problem.

Determining Diagonal Branches in Mine Ventilation Networks

NASA Astrophysics Data System (ADS)

Krach, Andrzej

2014-12-01

The present paper discusses determining diagonal branches in a mine ventilation network by means of a method based on the relationship A⊗ PT(k, l) = M, which states that the nodal-branch incidence matrix A, modulo-2 multiplied by the transposed path matrix PT(k, l ) from node no. k to node no. l, yields the matrix M where all the elements in rows k and l - corresponding to the start and the end node - are 1, and where the elements in the remaining rows are 0, exclusively. If a row of the matrix M is to contain only "0" elements, the following condition has to be fulfilled: after multiplying the elements of a row of the matrix A by the elements of a column of the matrix PT(k, l), i.e. by the elements of a proper row of the matrix P(k, l ), the result row must display only "0" elements or an even number of "1" entries, as only such a number of "1" entries yields 0 when modulo-2 added - and since the rows of the matrix A correspond to the graph nodes, and the path nodes level is 2 (apart from the nodes k and l, whose level is 1), then the number of "1" elements in a row has to be 0 or 2. If, in turn, the rows k and l of the matrix M are to contain only "1" elements, the following condition has to be fulfilled: after multiplying the elements of the row k or l of the matrix A by the elements of a column of the matrix PT(k, l), the result row must display an uneven number of "1" entries, as only such a number of "1" entries yields 1 when modulo-2 added - and since the rows of the matrix A correspond to the graph nodes, and the level of the i and j path nodes is 1, then the number of "1" elements in a row has to be 1. The process of determining diagonal branches by means of this method was demonstrated using the example of a simple ventilation network with two upcast shafts and one downcast shaft. W artykule przedstawiono metodę wyznaczania bocznic przekątnych w sieci wentylacyjnej kopalni metodą bazującą na zależności A⊗PT(k, l) = M, która podaje, że macierz incydencji węzłowo bocznicowej A pomnożona modulo 2 przez transponowaną macierz ścieżek PT(k, l) od węzła nr k do węzła nr l daje w wyniku macierz M o takich własnościach że ma same jedynki w wierszach k i l, odpowiadającym węzłom początkowemu i końcowemu i same zera w pozostałych wierszach. Warunkiem na to, aby w wierszu macierzy M były same zera jest aby po pomnożeniu elementów wiersza macierzy A przez elementy kolumny macierzy PT(k, l), czyli przez elementy odpowiedniego wiersza macierzy P(k, l), w wierszu wynikowym były same zera lub parzysta liczba jedynek, ponieważ tylko taka liczba jedynek zsumowana modulo 2 daje w wyniku 0, a ponieważ wiersze macierzy A odpowiadają węzłom grafu, a węzły ścieżki są stopnia 2 (oprócz węzłów k i l, które są stopnia 1), to liczba jedynek w wierszu musi być równa 0 lub 2. Natomiast warunkiem na to, aby w wierszach k i l macierzy M były same jedynki jest aby po pomnożeniu elementów wiersza k lub l macierzy A przez elementy kolumny macierzy PT(k, l) w wierszu wynikowym była nieparzysta liczba jedynek, ponieważ tylko taka liczba jedynek zsumowana modulo 2 daje w wyniku 1, a ponieważ wiersze macierzy A odpowiadają węzłom grafu, a węzły k i j ścieżki są stopnia 1, to liczba jedynek w wierszu musi być równa 1. Wyznaczanie bocznic przekątnych tą metodą pokazano na przykładzie prostej sieci wentylacyjnej z dwoma szybami wydechowymi i jednym wdechowym.

Modeling Composite Laminate Crushing for Crash Analysis

NASA Technical Reports Server (NTRS)

Fleming, David C.; Jones, Lisa (Technical Monitor)

2002-01-01

Crash modeling of composite structures remains limited in application and has not been effectively demonstrated as a predictive tool. While the global response of composite structures may be well modeled, when composite structures act as energy-absorbing members through direct laminate crushing the modeling accuracy is greatly reduced. The most efficient composite energy absorbing structures, in terms of energy absorbed per unit mass, are those that absorb energy through a complex progressive crushing response in which fiber and matrix fractures on a small scale dominate the behavior. Such failure modes simultaneously include delamination of plies, failure of the matrix to produce fiber bundles, and subsequent failure of fiber bundles either in bending or in shear. In addition, the response may include the significant action of friction, both internally (between delaminated plies or fiber bundles) or externally (between the laminate and the crushing surface). A figure shows the crushing damage observed in a fiberglass composite tube specimen, illustrating the complexity of the response. To achieve a finite element model of such complex behavior is an extremely challenging problem. A practical crushing model based on detailed modeling of the physical mechanisms of crushing behavior is not expected in the foreseeable future. The present research describes attempts to model composite crushing behavior using a novel hybrid modeling procedure. Experimental testing is done is support of the modeling efforts, and a test specimen is developed to provide data for validating laminate crushing models.

Br-rich tips of calcified crab claws are less hard but more fracture resistant: a comparison of biomineralized and heavy-element biomaterials

PubMed Central

Schofield, Robert M. S.; Niedbala, Jack C.; Nesson, Michael H.; Tao, Ye; Shokes, Jacob E.; Scott, Robert A.; Latimer, Matthew J.

2009-01-01

We find that the spoon-like tips of the chelipeds (large claws) of the crab Pachygrapsus crassipes differ from the rest of the claw in that they are not calcified, but instead contain about 1% bromine – thus they represent a new example of a class of structural biomaterials that contain heavy elements such as Zn, Mn, Fe, Cu, and Br bound in an organic matrix. X-ray absorption spectroscopy data suggest that the bromine is bound to phenyl rings, possibly in tyrosine. We measure a broad array of mechanical properties of a heavy-element biomaterial (abrasion resistance, coefficient of kinetic friction, energy of fracture, hardness, modulus of elasticity and dynamic mechanical properties) for the first time, and we make a direct comparison with a mineralized tissue. Our results suggest that the greatest advantage of bromine-rich cuticle over calcified cuticle is resistance to fracture (the energy of fracture is about an order of magnitude greater than for calcified cuticle). The greatest advantage relative to unenriched cuticle, represented by ant mandible cuticle, is a factor of about 1.5 greater hardness and modulus of elasticity. The spoon-like tips gain increased fracture resistance from the orientation of the constituent laminae and from the viscoelasticity of the materials. We suggest that fracture resistance is of greater importance in smaller organisms, and we speculate that one function of heavy elements in mechanical biomaterials is to reduce molecular resonant frequencies and thereby increase absorption of energy from impacts. PMID:19422071

Br-rich tips of calcified crab claws are less hard but more fracture resistant: a comparison of mineralized and heavy-element biological materials.

PubMed

Schofield, Robert M S; Niedbala, Jack C; Nesson, Michael H; Tao, Ye; Shokes, Jacob E; Scott, Robert A; Latimer, Matthew J

2009-06-01

We find that the spoon-like tips of the chelipeds (large claws) of the crab Pachygrapsus crassipes differ from the rest of the claw in that they are not calcified, but instead contain about 1% bromine--thus they represent a new example of a class of structural biological materials that contain heavy elements such as Zn, Mn, Fe, Cu, and Br bound in an organic matrix. X-ray absorption spectroscopy data suggest that the bromine is bound to phenyl rings, possibly in tyrosine. We measure a broad array of mechanical properties of a heavy-element biological material for the first time (abrasion resistance, coefficient of kinetic friction, energy of fracture, hardness, modulus of elasticity and dynamic mechanical properties), and we make a direct comparison with a mineralized tissue. Our results suggest that the greatest advantage of bromine-rich cuticle over calcified cuticle is resistance to fracture (the energy of fracture is about an order of magnitude greater than for calcified cuticle). The greatest advantage relative to unenriched cuticle, represented by ant mandible cuticle, is a factor of about 1.5 greater hardness and modulus of elasticity.The spoon-like tips gain additional fracture resistance from the orientation of the constituent laminae and from the viscoelasticity of the material. We suggest that fracture resistance is of greater importance in smaller organisms, and we speculate that one function of heavy elements in structural biological materials is to reduce molecular resonant frequencies and thereby increase absorption of energy from impacts.

Fast calculation of the sensitivity matrix in magnetic induction tomography by tetrahedral edge finite elements and the reciprocity theorem.

PubMed

Hollaus, K; Magele, C; Merwa, R; Scharfetter, H

2004-02-01

Magnetic induction tomography of biological tissue is used to reconstruct the changes in the complex conductivity distribution by measuring the perturbation of an alternating primary magnetic field. To facilitate the sensitivity analysis and the solution of the inverse problem a fast calculation of the sensitivity matrix, i.e. the Jacobian matrix, which maps the changes of the conductivity distribution onto the changes of the voltage induced in a receiver coil, is needed. The use of finite differences to determine the entries of the sensitivity matrix does not represent a feasible solution because of the high computational costs of the basic eddy current problem. Therefore, the reciprocity theorem was exploited. The basic eddy current problem was simulated by the finite element method using symmetric tetrahedral edge elements of second order. To test the method various simulations were carried out and discussed.

Some properties of the two-body effective interaction in the /sup 208/Pb region

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

Groleau, R.

The (/sup 3/He,d) and (/sup 4/He,t) single proton transfer reactions on /sup 208/Pb and /sup 209/Bi were studied using 30 and 40 MeV He beams from the Princeton Cyclotron Laboratory. The outgoing d and t were detected by a position sensitive proportional counter in the focal plane of a Q-3D spectrometer. The resolution varied between 10 and 14 keV (FWHM). Using the ratio of the cross-sections for the (/sup 3/He,d) and (/sup 4/He,t) reactions to determine the magnitude of the angular momentum transfers, the spectroscopic factors for the reaction on /sup 209/Bi have been measured relative to the transitions tomore » the single particle states in these reactions on /sup 208/Pb. Sum rules as developed by Bansal and French are used to study the configurations vertical bar h/sub 9/2 x h/sub 9/2/>, vertical bar h/sub 9/2/ x f/sub 7/2/>, vertical bar h/sub 9/2 x i/sub 13/2/>, vertical bar h/sub 9/2/ x f/sub 5/2/>and part of vertical bar h/sub 9/2/ x p/sub 3/2/> and vertical bar h/sub 9/2/ x p/sub 1/2>. Using the linear energy weighted sum rule, the diagonal matrix elements of the effective interaction between valence protons around the /sup 208/Pb core are deduced. The matrix elements obtained from a simple empirical interaction V/sub I//sup T=1/ of a pure Wigner type are compared to the extracted matrix elements. The interaction is characterized by an attractive short-range (0.82j and a repulsive long-range (8.2fm) potential: V/sub I//sup T = 1/ (MeV =-/96 e/sup - (r/0.82) /sup 2// + 0.51 e/sup -(r/8.2)/sup 2/. The core polarization is studied using the experimental static electric quadrupole and magnetic dipole moments of the nuclei in the /sup 208/Pb region. In general, the magnetic moments of multiple valence nucleon nuclei are well predicted by simple rules of Racah algebra. The three and four valence proton spectra (/sup 211/At and /sup 212/Rn) calculated with the experimental two particle matrix elements agree well with the experimental spectra.« less

25 CFR Appendix A to Subpart C - IRR High Priority Project Scoring Matrix

Code of Federal Regulations, 2010 CFR

2010-04-01

...—IRR High Priority Project Scoring Matrix Score 10 5 3 1 0 Accident and fatality rate for candidate route 1 Severe X Moderate Minimal No accidents. Years since last IRR construction project completed... elements Addresses 1 element. 1 National Highway Traffic Safety Board standards. 2 Total funds requested...

Some Factor Analytic Approximations to Latent Class Structure.

ERIC Educational Resources Information Center

Dziuban, Charles D.; Denton, William T.

Three procedures, alpha, image, and uniqueness rescaling, were applied to a joint occurrence probability matrix. That matrix was the basis of a well-known latent class structure. The values of the recurring subscript elements were varied as follows: Case 1 - The known elements were input; Case 2 - The upper bounds to the recurring subscript…

Neutrinoless double-β decay of 48Ca in the shell model: Closure versus nonclosure approximation

NASA Astrophysics Data System (ADS)

Sen'kov, R. A.; Horoi, M.

2013-12-01

Neutrinoless double-β decay (0νββ) is a unique process that could reveal physics beyond the Standard Model. Essential ingredients in the analysis of 0νββ rates are the associated nuclear matrix elements. Most of the approaches used to calculate these matrix elements rely on the closure approximation. Here we analyze the light neutrino-exchange matrix elements of 48Ca 0νββ decay and test the closure approximation in a shell-model approach. We calculate the 0νββ nuclear matrix elements for 48Ca using both the closure approximation and a nonclosure approach, and we estimate the uncertainties associated with the closure approximation. We demonstrate that the nonclosure approach has excellent convergence properties which allow us to avoid unmanageable computational cost. Combining the nonclosure and closure approaches we propose a new method of calculation for 0νββ decay rates which can be applied to the 0νββ decay rates of heavy nuclei, such as 76Ge or 82Se.

Neutrinoless double beta decay and chiral SU(3)

DOE PAGES

Cirigliano, Vincenzo; Dekens, Wouter Gerard; Graesser, Michael Lawrence; ...

2017-04-14

TeV-scale lepton number violation can affect neutrinoless double beta decay through dimension-9 ΔL=ΔI=2 operators involving two electrons and four quarks. Since the dominant effects within a nucleus are expected to arise from pion exchange, the π -→π +ee matrix elements of the dimension-9 operators are a key hadronic input. Here in this letter we provide estimates for the π -→π + matrix elements of all Lorentz scalar ΔI=2 four-quark operators relevant to the study of TeV-scale lepton number violation. The analysis is based on chiral SU(3) symmetry, which relates the π -→π + matrix elements of the ΔI=2 operators to themore » $K$ 0→$$\\bar{K}$$ 0 and K→ππ matrix elements of their ΔS=2 and ΔS=1 chiral partners, for which lattice QCD input is available. The inclusion of next-to-leading order chiral loop corrections to all symmetry relations used in the analysis makes our results robust at the 30% level or better, depending on the operator.« less

A computer code for calculations in the algebraic collective model of the atomic nucleus

NASA Astrophysics Data System (ADS)

Welsh, T. A.; Rowe, D. J.

2016-03-01

A Maple code is presented for algebraic collective model (ACM) calculations. The ACM is an algebraic version of the Bohr model of the atomic nucleus, in which all required matrix elements are derived by exploiting the model's SU(1 , 1) × SO(5) dynamical group. This paper reviews the mathematical formulation of the ACM, and serves as a manual for the code. The code enables a wide range of model Hamiltonians to be analysed. This range includes essentially all Hamiltonians that are rational functions of the model's quadrupole moments qˆM and are at most quadratic in the corresponding conjugate momenta πˆN (- 2 ≤ M , N ≤ 2). The code makes use of expressions for matrix elements derived elsewhere and newly derived matrix elements of the operators [ π ˆ ⊗ q ˆ ⊗ π ˆ ] 0 and [ π ˆ ⊗ π ˆ ] LM. The code is made efficient by use of an analytical expression for the needed SO(5)-reduced matrix elements, and use of SO(5) ⊃ SO(3) Clebsch-Gordan coefficients obtained from precomputed data files provided with the code.

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

Briceno, Raul A.; Hansen, Maxwell T.; Monahan, Christopher J.

Lattice quantum chromodynamics (QCD) provides the only known systematic, nonperturbative method for first-principles calculations of nucleon structure. However, for quantities such as light-front parton distribution functions (PDFs) and generalized parton distributions (GPDs), the restriction to Euclidean time prevents direct calculation of the desired observable. Recently, progress has been made in relating these quantities to matrix elements of spatially nonlocal, zero-time operators, referred to as quasidistributions. Still, even for these time-independent matrix elements, potential subtleties have been identified in the role of the Euclidean signature. In this work, we investigate the analytic behavior of spatially nonlocal correlation functions and demonstrate thatmore » the matrix elements obtained from Euclidean lattice QCD are identical to those obtained using the Lehmann-Symanzik-Zimmermann reduction formula in Minkowski space. After arguing the equivalence on general grounds, we also show that it holds in a perturbative calculation, where special care is needed to identify the lattice prediction. Lastly, we present a proof of the uniqueness of the matrix elements obtained from Minkowski and Euclidean correlation functions to all order in perturbation theory.« less

0 ν β β -decay nuclear matrix element for light and heavy neutrino mass mechanisms from deformed quasiparticle random-phase approximation calculations for 76Ge, 82Se, 130Te, 136Xe, and 150Nd with isospin restoration

NASA Astrophysics Data System (ADS)

Fang, Dong-Liang; Faessler, Amand; Šimkovic, Fedor

2018-04-01

In this paper, with restored isospin symmetry, we evaluated the neutrinoless double-β -decay nuclear matrix elements for 76Ge, 82Se, 130Te, 136Xe, and 150Nd for both the light and heavy neutrino mass mechanisms using the deformed quasiparticle random-phase approximation approach with realistic forces. We give detailed decompositions of the nuclear matrix elements over different intermediate states and nucleon pairs, and discuss how these decompositions are affected by the model space truncations. Compared to the spherical calculations, our results show reductions from 30 % to about 60 % of the nuclear matrix elements for the calculated isotopes mainly due to the presence of the BCS overlap factor between the initial and final ground states. The comparison between different nucleon-nucleon (NN) forces with corresponding short-range correlations shows that the choice of the NN force gives roughly 20 % deviations for the light exchange neutrino mechanism and much larger deviations for the heavy neutrino exchange mechanism.

Two modulator generalized ellipsometer for complete mueller matrix measurement

DOEpatents

Jellison, Jr., Gerald E.; Modine, Frank A.

1999-01-01

A two-modulator generalized ellipsometer (2-MGE) comprising two polarizer-photoelastic modulator (PEM) pairs, an optical light source, an optical detection system, and associated data processing and control electronics, where the PEMs are free-running. The input light passes through the first polarizer-PEM pair, reflects off the sample surface or passes through the sample, passes through the second PEM-polarizer pair, and is detected. Each PEM is free running and operates at a different resonant frequency, e.g., 50 and 60 kHz. The resulting time-dependent waveform of the light intensity is a complicated function of time, and depends upon the exact operating frequency and phase of each PEM, the sample, and the azimuthal angles of the polarizer-PEM pairs, but can be resolved into a dc component and eight periodic components. In one embodiment, the waveform is analyzed using a new spectral analysis technique that is similar to Fourier analysis to determine eight sample Mueller matrix elements (normalized to the m.sub.00 Mueller matrix element). The other seven normalized elements of the general 4.times.4 Mueller matrix can be determined by changing the azimuthal angles of the PEM-polarizer pairs with respect to the plane of incidence. Since this instrument can measure all elements of the sample Mueller matrix, it is much more powerful than standard ellipsometers.

Assessment of a hybrid finite element-transfer matrix model for flat structures with homogeneous acoustic treatments.

PubMed

Alimonti, Luca; Atalla, Noureddine; Berry, Alain; Sgard, Franck

2014-05-01

Modeling complex vibroacoustic systems including poroelastic materials using finite element based methods can be unfeasible for practical applications. For this reason, analytical approaches such as the transfer matrix method are often preferred to obtain a quick estimation of the vibroacoustic parameters. However, the strong assumptions inherent within the transfer matrix method lead to a lack of accuracy in the description of the geometry of the system. As a result, the transfer matrix method is inherently limited to the high frequency range. Nowadays, hybrid substructuring procedures have become quite popular. Indeed, different modeling techniques are typically sought to describe complex vibroacoustic systems over the widest possible frequency range. As a result, the flexibility and accuracy of the finite element method and the efficiency of the transfer matrix method could be coupled in a hybrid technique to obtain a reduction of the computational burden. In this work, a hybrid methodology is proposed. The performances of the method in predicting the vibroacoutic indicators of flat structures with attached homogeneous acoustic treatments are assessed. The results prove that, under certain conditions, the hybrid model allows for a reduction of the computational effort while preserving enough accuracy with respect to the full finite element solution.

Software for Processing Flight and Simulated Data of the ATIC Experiment

NASA Technical Reports Server (NTRS)

Panov, A. D.; Adams, J. H., Jr.; Ahn, H. S.; Bashindzhagyan, G. L.; Batkov, K. E.; Case, G.; Christl, M.; Chang, J.; Fazely, A. R.; Ganel, O.;

Ultrasonic assisted consolidation of commingled thermoplastic/glass fibers rovings

NASA Astrophysics Data System (ADS)

Lionetto, Francesca; Dell'Anna, Riccardo; Montagna, Francesco; Maffezzoli, Alfonso

2015-04-01

Thermoplastic matrix composites are finding new applications in different industrial area thanks to their intrinsic advantages related to environmental compatibility and processability. The approach presented in this work consists in the development of a technology for the simultaneous deposition and consolidation of commingled thermoplastic rovings through to the application of high energy ultrasound. An experimental equipment, integrating both fiber impregnation and ply consolidation in a single process, has been designed and tested. It is made of an ultrasonic welder, whose titanium sonotrode is integrated on a filament winding machine. During winding, the commingled roving is at the same time in contact with the mandrel and the horn. The intermolecular friction generated by ultrasound is able to melt the thermoplastic matrix and impregnate the reinforcement fibers. The heat transfer phenomena occurring during the in situ consolidation were simulated solving by finite element (FE) analysis an energy balance accounting for the heat generated by ultrasonic waves and the melting characteristics of the matrix. To this aim, a calorimetric characterization of the thermoplastic matrix has been carried out to obtain the input parameters for the model. The FE analysis has enabled to predict the temperature distribution in the composite during heating and cooling The simulation results have been validated by the measurement of the temperature evolution during ultrasonic consolidation. The reliability of the developed consolidation equipment was proved by producing hoop wound cylinder prototypes using commingled continuous E-glass rovings and Polypropylene (PP) filaments. The consolidated composite cylinders are characterized by high mechanical properties, with values comparable with the theoretical ones predicted by the micromechanical analysis.

Determinant representations of spin-operator matrix elements in the XX spin chain and their applications

NASA Astrophysics Data System (ADS)

Wu, Ning

2018-01-01

For the one-dimensional spin-1/2 XX model with either periodic or open boundary conditions, it is shown by using a fermionic approach that the matrix element of the spin operator Sj- (Sj-Sj'+ ) between two eigenstates with numbers of excitations n and n +1 (n and n ) can be expressed as the determinant of an appropriate (n +1 )×(n +1 ) matrix whose entries involve the coefficients of the canonical transformations diagonalizing the model. In the special case of a homogeneous periodic XX chain, the matrix element of Sj- reduces to a variant of the Cauchy determinant that can be evaluated analytically to yield a factorized expression. The obtained compact representations of these matrix elements are then applied to two physical scenarios: (i) Nonlinear optical response of molecular aggregates, for which the determinant representation of the transition dipole matrix elements between eigenstates provides a convenient way to calculate the third-order nonlinear responses for aggregates from small to large sizes compared with the optical wavelength; and (ii) real-time dynamics of an interacting Dicke model consisting of a single bosonic mode coupled to a one-dimensional XX spin bath. In this setup, full quantum calculation up to N ≤16 spins for vanishing intrabath coupling shows that the decay of the reduced bosonic occupation number approaches a finite plateau value (in the long-time limit) that depends on the ratio between the number of excitations and the total number of spins. Our results can find useful applications in various "system-bath" systems, with the system part inhomogeneously coupled to an interacting XX chain.

Proton-Proton Fusion and Tritium β Decay from Lattice Quantum Chromodynamics

NASA Astrophysics Data System (ADS)

Savage, Martin J.; Shanahan, Phiala E.; Tiburzi, Brian C.; Wagman, Michael L.; Winter, Frank; Beane, Silas R.; Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; Orginos, Kostas; Nplqcd Collaboration

2017-08-01

The nuclear matrix element determining the p p →d e+ν fusion cross section and the Gamow-Teller matrix element contributing to tritium β decay are calculated with lattice quantum chromodynamics for the first time. Using a new implementation of the background field method, these quantities are calculated at the SU(3) flavor-symmetric value of the quark masses, corresponding to a pion mass of mπ˜806 MeV . The Gamow-Teller matrix element in tritium is found to be 0.979(03)(10) at these quark masses, which is within 2 σ of the experimental value. Assuming that the short-distance correlated two-nucleon contributions to the matrix element (meson-exchange currents) depend only mildly on the quark masses, as seen for the analogous magnetic interactions, the calculated p p →d e+ν transition matrix element leads to a fusion cross section at the physical quark masses that is consistent with its currently accepted value. Moreover, the leading two-nucleon axial counterterm of pionless effective field theory is determined to be L1 ,A=3.9 (0.2 )(1.0 )(0.4 )(0.9 ) fm3 at a renormalization scale set by the physical pion mass, also agreeing within the accepted phenomenological range. This work concretely demonstrates that weak transition amplitudes in few-nucleon systems can be studied directly from the fundamental quark and gluon degrees of freedom and opens the way for subsequent investigations of many important quantities in nuclear physics.

Optimization of Coil Element Configurations for a Matrix Gradient Coil.

PubMed

Kroboth, Stefan; Layton, Kelvin J; Jia, Feng; Littin, Sebastian; Yu, Huijun; Hennig, Jurgen; Zaitsev, Maxim

2018-01-01

Recently, matrix gradient coils (also termed multi-coils or multi-coil arrays) were introduced for imaging and B 0 shimming with 24, 48, and even 84 coil elements. However, in imaging applications, providing one amplifier per coil element is not always feasible due to high cost and technical complexity. In this simulation study, we show that an 84-channel matrix gradient coil (head insert for brain imaging) is able to create a wide variety of field shapes even if the number of amplifiers is reduced. An optimization algorithm was implemented that obtains groups of coil elements, such that a desired target field can be created by driving each group with an amplifier. This limits the number of amplifiers to the number of coil element groups. Simulated annealing is used due to the NP-hard combinatorial nature of the given problem. A spherical harmonic basis set up to the full third order within a sphere of 20-cm diameter in the center of the coil was investigated as target fields. We show that the median normalized least squares error for all target fields is below approximately 5% for 12 or more amplifiers. At the same time, the dissipated power stays within reasonable limits. With a relatively small set of amplifiers, switches can be used to sequentially generate spherical harmonics up to third order. The costs associated with a matrix gradient coil can be lowered, which increases the practical utility of matrix gradient coils.

Realization of a Λ System with Metastable States of a Capacitively Shunted Fluxonium.

PubMed

Earnest, N; Chakram, S; Lu, Y; Irons, N; Naik, R K; Leung, N; Ocola, L; Czaplewski, D A; Baker, B; Lawrence, Jay; Koch, Jens; Schuster, D I

2018-04-13

We realize a Λ system in a superconducting circuit, with metastable states exhibiting lifetimes up to 8 ms. We exponentially suppress the tunneling matrix elements involved in spontaneous energy relaxation by creating a "heavy" fluxonium, realized by adding a capacitive shunt to the original circuit design. The device allows for both cavity-assisted and direct fluorescent readouts, as well as state preparation schemes akin to optical pumping. Since direct transitions between the metastable states are strongly suppressed, we utilize Raman transitions for coherent manipulation of the states.

Realization of a Λ System with Metastable States of a Capacitively Shunted Fluxonium

NASA Astrophysics Data System (ADS)

Earnest, N.; Chakram, S.; Lu, Y.; Irons, N.; Naik, R. K.; Leung, N.; Ocola, L.; Czaplewski, D. A.; Baker, B.; Lawrence, Jay; Koch, Jens; Schuster, D. I.

2018-04-01

We realize a Λ system in a superconducting circuit, with metastable states exhibiting lifetimes up to 8 ms. We exponentially suppress the tunneling matrix elements involved in spontaneous energy relaxation by creating a "heavy" fluxonium, realized by adding a capacitive shunt to the original circuit design. The device allows for both cavity-assisted and direct fluorescent readouts, as well as state preparation schemes akin to optical pumping. Since direct transitions between the metastable states are strongly suppressed, we utilize Raman transitions for coherent manipulation of the states.

Condensates of p-wave pairs are exact solutions for rotating two-component Bose gases.

PubMed

Papenbrock, T; Reimann, S M; Kavoulakis, G M

2012-02-17

We derive exact analytical results for the wave functions and energies of harmonically trapped two-component Bose-Einstein condensates with weakly repulsive interactions under rotation. The isospin symmetric wave functions are universal and do not depend on the matrix elements of the two-body interaction. The comparison with the results from numerical diagonalization shows that the ground state and low-lying excitations consist of condensates of p-wave pairs for repulsive contact interactions, Coulomb interactions, and the repulsive interactions between aligned dipoles.

Volkov basis for simulation of interaction of strong laser pulses and solids

NASA Astrophysics Data System (ADS)

Kidd, Daniel; Covington, Cody; Li, Yonghui; Varga, Kálmán

2018-01-01

An efficient and accurate basis comprised of Volkov states is implemented and tested for time-dependent simulations of interactions between strong laser pulses and crystalline solids. The Volkov states are eigenstates of the free electron Hamiltonian in an electromagnetic field and analytically represent the rapidly oscillating time-dependence of the orbitals, allowing significantly faster time propagation than conventional approaches. The Volkov approach can be readily implemented in plane-wave codes by multiplying the potential energy matrix elements with a simple time-dependent phase factor.

Distributions of topological observables in inclusive three- and four-jet events in pp collisions at

NASA Astrophysics Data System (ADS)

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Bergauer, T.; Dragicevic, M.; Erö, J.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Knünz, V.; Krammer, M.; Krätschmer, I.; Liko, D.; Mikulec, I.; Rabady, D.; Rahbaran, B.; Rohringer, H.; Schöfbeck, R.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; Bansal, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Knutsson, A.; Lauwers, J.; Luyckx, S.; Ochesanu, S.; Rougny, R.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Blekman, F.; Blyweert, S.; D'Hondt, J.; Daci, N.; Heracleous, N.; Keaveney, J.; Lowette, S.; Maes, M.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Villella, I.; Caillol, C.; Clerbaux, B.; De Lentdecker, G.; Dobur, D.; Favart, L.; Gay, A. P. R.; Grebenyuk, A.; Léonard, A.; Mohammadi, A.; Perniè, L.; Randle-conde, A.; Reis, T.; Seva, T.; Thomas, L.; Vander Velde, C.; Vanlaer, P.; Wang, J.; Zenoni, F.; Adler, V.; Beernaert, K.; Benucci, L.; Cimmino, A.; Costantini, S.; Crucy, S.; Dildick, S.; Fagot, A.; Garcia, G.; Mccartin, J.; Ocampo Rios, A. A.; Ryckbosch, D.; Salva Diblen, S.; Sigamani, M.; Strobbe, N.; Thyssen, F.; Tytgat, M.; Yazgan, E.; Zaganidis, N.; Basegmez, S.; Beluffi, C.; Bruno, G.; Castello, R.; Caudron, A.; Ceard, L.; Da Silveira, G. G.; Delaere, C.; du Pree, T.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Nuttens, C.; Pagano, D.; Perrini, L.; Pin, A.; Piotrzkowski, K.; Popov, A.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Vizan Garcia, J. M.; Beliy, N.; Caebergs, T.; Daubie, E.; Hammad, G. H.; Júnior, W. L. Aldá; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Martins, T. Dos Reis; Mora Herrera, C.; Pol, M. E.; Rebello Teles, P.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Malbouisson, H.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santaolalla, J.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Bernardes, C. A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Novaes, S. F.; Padula, Sandra S.; Aleksandrov, A.; Genchev, V.; Hadjiiska, R.; Iaydjiev, P.; Marinov, A.; Piperov, S.; Rodozov, M.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Cheng, T.; Du, R.; Jiang, C. H.; Plestina, R.; Romeo, F.; Tao, J.; Wang, Z.; Asawatangtrakuldee, C.; Ban, Y.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Zou, W.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Polic, D.; Puljak, I.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Kadija, K.; Luetic, J.; Mekterovic, D.; Sudic, L.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Bodlak, M.; Finger, M.; Finger, M.; Assran, Y.; Ellithi Kamel, A.; Mahmoud, M. A.; Radi, A.; Kadastik, M.; Murumaa, M.; Raidal, M.; Tiko, A.; Eerola, P.; Fedi, G.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Kortelainen, M. J.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Mäenpää, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Locci, E.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Baffioni, S.; Beaudette, F.; Busson, P.; Charlot, C.; Dahms, T.; Dalchenko, M.; Dobrzynski, L.; Filipovic, N.; Florent, A.; Granier de Cassagnac, R.; Mastrolorenzo, L.; Miné, P.; Mironov, C.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Regnard, S.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Veelken, C.; Yilmaz, Y.; Zabi, A.; Agram, J.-L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J.-M.; Chabert, E. C.; Collard, C.; Conte, E.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Goetzmann, C.; Le Bihan, A.-C.; Skovpen, K.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Beaupere, N.; Boudoul, G.; Bouvier, E.; Brochet, S.; Carrillo Montoya, C. A.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Ruiz Alvarez, J. D.; Sabes, D.; Sgandurra, L.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Xiao, H.; Tsamalaidze, Z.; Autermann, C.; Beranek, S.; Bontenackels, M.; Edelhoff, M.; Feld, L.; Heister, A.; Hindrichs, O.; Klein, K.; Ostapchuk, A.; Raupach, F.; Sammet, J.; Schael, S.; Schulte, J. F.; Weber, H.; Wittmer, B.; Zhukov, V.; Ata, M.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Erdmann, M.; Fischer, R.; Güth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Knutzen, S.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Millet, P.; Olschewski, M.; Padeken, K.; Papacz, P.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Teyssier, D.; Thüer, S.; Weber, M.; Cherepanov, V.; Erdogan, Y.; Flügge, G.; Geenen, H.; Geisler, M.; Haj Ahmad, W.; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Künsken, A.; Lingemann, J.; Nowack, A.; Nugent, I. M.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Asin, I.; Bartosik, N.; Behr, J.; Behrens, U.; Bell, A. J.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Choudhury, S.; Costanza, F.; Diez Pardos, C.; Dolinska, G.; Dooling, S.; Dorland, T.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Flucke, G.; Garcia, J. Garay; Geiser, A.; Gunnellini, P.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Kasemann, M.; Katsas, P.; Kieseler, J.; Kleinwort, C.; Korol, l.; Krücker, D.; Lange, W.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Nayak, A.; Ntomari, E.; Perrey, H.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Ribeiro Cipriano, P. M.; Roland, B.; Ron, E.; Sahin, M. Ö.; Salfeld-Nebgen, J.; Saxena, P.; Schoerner-Sadenius, T.; Schröder, M.; Seitz, C.; Spannagel, S.; Vargas Trevino, A. D. R.; Walsh, R.; Wissing, C.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Erfle, J.; Garutti, E.; Goebel, K.; Görner, M.; Haller, J.; Hoffmann, M.; Höing, R. S.; Junkes, A.; Kirschenmann, H.; Klanner, R.; Kogler, R.; Lange, J.; Lapsien, T.; Lenz, T.; Marchesini, I.; Ott, J.; Peiffer, T.; Perieanu, A.; Pietsch, N.; Poehlsen, J.; Poehlsen, T.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Seidel, M.; Sola, V.; Stadie, H.; Steinbrück, G.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Barth, C.; Baus, C.; Berger, J.; Böser, C.; Butz, E.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Frensch, F.; Giffels, M.; Gilbert, A.; Hartmann, F.; Hauth, T.; Husemann, U.; Katkov, I.; Kornmayer, A.; Kuznetsova, E.; Lobelle Pardo, P.; Mozer, M. U.; Müller, T.; Müller, Th.; Nürnberg, A.; Quast, G.; Rabbertz, K.; Röcker, S.; Simonis, H. J.; Stober, F. M.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Markou, A.; Markou, C.; Psallidas, A.; Topsis-Giotis, I.; Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Stiliaris, E.; Aslanoglou, X.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Strologas, J.; Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Molnar, J.; Palinkas, J.; Szillasi, Z.; Makovec, A.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Swain, S. K.; Beri, S. B.; Bhatnagar, V.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, M.; Kumar, R.; Mittal, M.; Nishu, N.; Singh, J. B.; Kumar, Ashok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, V.; Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dutta, S.; Gomber, B.; Jain, Sa.; Jain, Sh.; Khurana, R.; Modak, A.; Mukherjee, S.; Roy, D.; Sarkar, S.; Sharan, M.; Abdulsalam, A.; Dutta, D.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Topkar, A.; Aziz, T.; Banerjee, S.; Bhowmik, S.; Chatterjee, R. M.; Dewanjee, R. K.; Dugad, S.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.; Bakhshiansohi, H.; Behnamian, H.; Etesami, S. M.; Fahim, A.; Goldouzian, R.; Khakzad, M.; Mohammadi Najafabadi, M.; Naseri, M.; Paktinat Mehdiabadi, S.; Rezaei Hosseinabadi, F.; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Selvaggi, G.; Sharma, A.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Primavera, F.; Rovelli, T.; Siroli, G. 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V.; Maksimovic, P.; Martin, C.; Swartz, M.; Baringer, P.; Bean, A.; Benelli, G.; Bruner, C.; Kenny, R. P.; Malek, M.; Murray, M.; Noonan, D.; Sanders, S.; Sekaric, J.; Stringer, R.; Wang, Q.; Wood, J. S.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Skhirtladze, N.; Svintradze, I.; Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.; Baden, A.; Belloni, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Apyan, A.; Barbieri, R.; Busza, W.; Cali, I. A.; Chan, M.; Di Matteo, L.; Gomez Ceballos, G.; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Zanetti, M.; Zhukova, V.; Dahmes, B.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Gonzalez Suarez, R.; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Meier, F.; Ratnikov, F.; Snow, G. R.; Zvada, M.; Dolen, J.; Godshalk, A.; Iashvili, I.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Trocino, D.; Wang, R. J.; Wood, D.; Zhang, J.; Hahn, K. A.; Kubik, A.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Velasco, M.; Won, S.; Brinkerhoff, A.; Chan, K. M.; Drozdetskiy, A.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Lynch, S.; Marinelli, N.; Musienko, Y.; Pearson, T.; Planer, M.; Ruchti, R.; Smith, G.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.; Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hart, A.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Luo, W.; Puigh, D.; Rodenburg, M.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Hunt, A.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroué, P.; Quan, X.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.; Brownson, E.; Malik, S.; Mendez, H.; Ramirez Vargas, J. E.; Barnes, V. E.; Benedetti, D.; Bortoletto, D.; De Mattia, M.; Gutay, L.; Hu, Z.; Jha, M. K.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Zablocki, J.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.; Betchart, B.; Bodek, A.; Covarelli, R.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Khukhunaishvili, A.; Korjenevski, S.; Petrillo, G.; Vishnevskiy, D.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Mesropian, C.; Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Kaplan, S.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Salur, S.; Schnetzer, S.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Rose, K.; Spanier, S.; York, A.; Bouhali, O.; Castaneda Hernandez, A.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Krutelyov, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Rose, A.; Safonov, A.; Suarez, I.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kovitanggoon, K.; Kunori, S.; Lee, S. W.; Libeiro, T.; Volobouev, I.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.; Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Lin, C.; Neu, C.; Wood, J.; Clarke, C.; Harr, R.; Karchin, P. E.; Kottachchi Kankanamge Don, C.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Dodd, L.; Duric, S.; Friis, E.; Hall-Wilton, R.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Lazaridis, C.; Levine, A.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Sarangi, T.; Savin, A.; Smith, W. H.; Taylor, D.; Vuosalo, C.; Woods, N.

2015-07-01

This paper presents distributions of topological observables in inclusive three- and four-jet events produced in pp collisions at a centre-of-mass energy of 7 with a data sample collected by the CMS experiment corresponding to a luminosity of 5.1. The distributions are corrected for detector effects, and compared with several event generators based on two- and multi-parton matrix elements at leading order. Among the considered calculations, MadGraph interfaced with pythia6 displays the overall best agreement with data.

Cellular reflectarray antenna and method of making same

NASA Technical Reports Server (NTRS)

Romanofsky, Robert R (Inventor)

2011-01-01

A method of manufacturing a cellular reflectarray antenna arranged in an m by n matrix of radiating elements for communication with a satellite includes steps of determining a delay .phi.m,n for each of said m by n matrix of elements of said cellular reflectarray antenna using sub-steps of: determining the longitude and latitude of operation, determining elevation and azimuth angles of the reflectarray with respect to the satellite and converting theta.sub.0 (.theta..sub.0) and phi.sub.0 (.phi..sub.0), determining .DELTA..beta..sub.m,n, the pointing vector correction, for a given inter-element spacing and wavelength, determining .DELTA..phi..sub.m,n, the spherical wave front correction factor, for a given radius from the central element and/or from measured data from the feed horn; and, determining a delay .phi.m,n for each of said m by n matrix of elements as a function of .DELTA..beta..sub.m,n and .DELTA..phi..sub.m,n.

Cellular reflectarray antenna and method of making same

NASA Technical Reports Server (NTRS)

Romanofsky, Robert R (Inventor)

2010-01-01

A method of manufacturing a cellular reflectarray antenna arranged in an m by n matrix of radiating elements for communication with a satellite includes steps of determining a delay .phi.m,n for each of said m by n matrix of elements of said cellular reflectarray antenna using sub-steps of: determining the longitude and latitude of operation, determining elevation and azimuth angles of the reflectarray with respect to the satellite and converting theta.sub.0 (.theta..sub.0) and phi.sub.0 (.phi..sub.0), determining .DELTA..beta..sub.m,n, the pointing vector correction, for a given inter-element spacing and wavelength, determining .DELTA..phi..sub.m,n, the spherical wave front correction factor, for a given radius from the central element and/or from measured data from the feed horn; and, determining a delay .phi.m,n for each of said m by n matrix of elements as a function of .DELTA..beta..sub.m,n and .DELTA..phi..sub.m,n..

Dispersoid reinforced alloy powder and method of making

DOEpatents

Anderson, Iver E; Rieken, Joel

2013-12-10

A method of making dispersion-strengthened alloy particles involves melting an alloy having a corrosion and/or oxidation resistance-imparting alloying element, a dispersoid-forming element, and a matrix metal wherein the dispersoid-forming element exhibits a greater tendency to react with an introduced reactive species than does the alloying element and wherein one or more atomizing parameters is/are modified to controllably reduce the amount of the reactive species, such as oxygen, introduced into the atomized particles so as to reduce anneal times and improve reaction (conversion) to the desired strengthening dispersoids in the matrix. The atomized alloy particles are solidified as solidified alloy particles or as a solidified deposit of alloy particles. Bodies are made from the dispersion strengthened alloy particles, deposit thereof, exhibit enhanced fatigue and creep resistance and reduced wear as well as enhanced corrosion and/or oxidation resistance at high temperatures by virtue of the presence of the corrosion and/or oxidation resistance imparting alloying element in solid solution in the particle alloy matrix.

Organic matrix-related mineralization of sea urchin spicules, spines, test and teeth.

PubMed

Veis, Arthur

2011-06-01

The camarodont echinoderms have five distinct mineralized skeletal elements: embryonic spicules, mature test, spines, lantern stereom and teeth. The spicules are transient structural elements whereas the spines, and test plates are permanent. The teeth grow continuously. The mineral is a high magnesium calcite, but the magnesium content is different in each type of skeletal element, varying from 5 to 40 mole% Mg. The organic matrix creates the spaces and environments for crystal initiation and growth. The detailed mechanisms of crystal regulation are not known, but acidic and phosphorylated matrix proteins may be of special importance. Biochemical studies, sequencing of the complete genome, and high-throughput proteomic analysis have not yet provided insight into the mechanisms of crystallization, calcite composition, and orientation applicable to all skeletal elements. The embryonic spicules are not representative of the mature skeletal elements. The next phase of research will have to focus on the specific localization of the proteins and individual biochemistries of each system with regard to mineral content and placement.

Relativistic differential-difference momentum operators and noncommutative differential calculus

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

Mir-Kasimov, R. M., E-mail: mirkr@theor.jinr.ru

2013-09-15

The relativistic kinetic momentum operators are introduced in the framework of the Quantum Mechanics (QM) in the Relativistic Configuration Space (RCS). These operators correspond to the half of the non-Euclidean distance in the Lobachevsky momentum space. In terms of kinetic momentum operators the relativistic kinetic energy is separated as the independent term of the total Hamiltonian. This relativistic kinetic energy term is not distinguishing in form from its nonrelativistic counterpart. The role of the plane wave (wave function of the motion with definite value of momentum and energy) plays the generating function for the matrix elements of the unitary irrepsmore » of Lorentz group (generalized Jacobi polynomials). The kinetic momentum operators are the interior derivatives in the framework of the noncommutative differential calculus over the commutative algebra generated by the coordinate functions over the RCS.« less

Self-sensing and thermal energy experimental characterization of multifunctional cement-matrix composites with carbon nano-inclusions

NASA Astrophysics Data System (ADS)

D'Alessandro, A.; Pisello, A. L.; Sambuco, Sara; Ubertini, F.; Asdrubali, F.; Materazzi, A. L.; Cotana, F.

2016-04-01

The recent progress of Nanotechnology allowed the development of new smart materials in several fields of engineering. In particular, innovative construction materials with multifunctional enhanced properties can be produced. The paper presents an experimental characterization on cement-matrix pastes doped with Carbon Nanotubes, Carbon Nano-fibers, Carbon Black and Graphene Nano-platelets. Both electro-mechanical and thermo-physical investigations have been carried out. The conductive nano-inclusions provide the cementitious matrix with piezo-resistive properties allowing the detection of external strain and stress changes. Thereby, traditional building materials, such as concrete and cementitious materials in general, would be capable of self-monitoring the state of deformation they are subject to, giving rise to diffuse sensing systems of structural integrity. Besides supplying self-sensing abilities, carbon nano-fillers may change mechanical, physical and thermal properties of cementitious composites. The experimental tests of the research have been mainly concentrated on the thermal conductivity and the optical properties of the different nano-modified materials, in order to make a critical comparison between them. The aim of the work is the characterization of an innovative multifunctional composite capable of combining self-monitoring properties with proper mechanical and thermal-energy efficiency characteristics. The potential applications of these nano-modified materials cover a wide range of possibilities, such as structural elements, floors, geothermal piles, radiant systems and more.

Enhancement of Impact Toughness by Delamination Fracture in a Low-Alloy High-Strength Steel with Al Alloying

NASA Astrophysics Data System (ADS)

Sun, Junjie; Jiang, Tao; Liu, Hongji; Guo, Shengwu; Liu, Yongning

2016-12-01

The effect of delamination toughening of martensitic steel was investigated both at room and low temperatures [253 K and 233 K (-20 °C and -40 °C)]. Two low-alloy martensitic steels with and without Al alloying were both prepared. Layered structure with white band and black matrix was observed in Al alloyed steel, while a homogeneous microstructure was displayed in the steel without Al. Both steels achieved high strength (tensile strength over 1600 MPa) and good ductility (elongation over 11 pct), but they displayed stark contrasts on impact fracture mode and Charpy impact energy. Delamination fracture occurred in Al alloyed steel and the impact energies were significantly increased both at room temperature (from 75 to 138 J, i.e., nearly improved up to 2 times) and low temperatures [from 47.9 to 71.3 J at 233 K (-40 °C)] compared with the one without Al. Alloying with Al promotes the segregation of Cr, Mn, Si and C elements to form a network structure, which is martensite with higher carbon content and higher hardness than that of the matrix. And this network structure evolved into a band structure during the hot rolling process. The difference of yield stress between the band structure and the matrix gives rise to a delamination fracture during the impact test, which increases the toughness greatly.

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

Bazavov, A.; Bernard, C.; Bouchard, C. M.

We calculate—for the first time in three-flavor lattice QCD—the hadronic matrix elements of all five local operators that contribute to neutral B 0- and B s-meson mixing in and beyond the Standard Model. We present a complete error budget for each matrix element and also provide the full set of correlations among the matrix elements. We also present the corresponding bag parameters and their correlations, as well as specific combinations of the mixing matrix elements that enter the expression for the neutral B-meson width difference. We obtain the most precise determination to date of the SU(3)-breaking ratio ξ=1.206(18)(6), where themore » second error stems from the omission of charm-sea quarks, while the first encompasses all other uncertainties. The threefold reduction in total uncertainty, relative to the 2013 Flavor Lattice Averaging Group results, tightens the constraint from B mixing on the Cabibbo-Kobayashi-Maskawa (CKM) unitarity triangle. Our calculation employs gauge-field ensembles generated by the MILC Collaboration with four lattice spacings and pion masses close to the physical value. We use the asqtad-improved staggered action for the light-valence quarks and the Fermilab method for the bottom quark. We use heavy-light meson chiral perturbation theory modified to include lattice-spacing effects to extrapolate the five matrix elements to the physical point. We combine our results with experimental measurements of the neutral B-meson oscillation frequencies to determine the CKM matrix elements |V td| = 8.00(34)(8)×10 -3, |V ts| = 39.0(1.2)(0.4)×10 -3, and |V td/V ts| = 0.2052(31)(10), which differ from CKM-unitarity expectations by about 2σ. In addition, these results and others from flavor-changing-neutral currents point towards an emerging tension between weak processes that are mediated at the loop and tree levels.« less

CrN precipitation and elemental segregation during the decay of expanded austenite

NASA Astrophysics Data System (ADS)

Manova, D.; Lotnyk, A.; Mändl, S.; Neumann, H.; Rauschenbach, B.

2016-06-01

Nitrogen insertion into austenitic stainless steel at elevated temperatures leads to anomalous fast nitrogen diffusion and the formation of an expanded fcc phase which is known as expanded austenite. In situ x-ray diffraction measurements during low energy nitrogen ion implantation into steel AISI 304 at 475 °C and short annealing at 575 °C were performed in conjunction with transmission electron microscopy investigations. They show the time dependent decay of this expanded phase with coalescing and growing CrN precipitates. There is elemental segregation associated with this decay where Fe is absent very early from the Cr-N containing precipitates. Ni is segregating towards the Fe-rich matrix more slowly. At the same time, the microstructure—decayed phase vs expanded austenite—is visible in SIMS cluster analysis.

Coil-to-coil physiological noise correlations and their impact on functional MRI time-series signal-to-noise ratio.

PubMed

Triantafyllou, Christina; Polimeni, Jonathan R; Keil, Boris; Wald, Lawrence L

2016-12-01

Physiological nuisance fluctuations ("physiological noise") are a major contribution to the time-series signal-to-noise ratio (tSNR) of functional imaging. While thermal noise correlations between array coil elements have a well-characterized effect on the image Signal to Noise Ratio (SNR 0 ), the element-to-element covariance matrix of the time-series fluctuations has not yet been analyzed. We examine this effect with a goal of ultimately improving the combination of multichannel array data. We extend the theoretical relationship between tSNR and SNR 0 to include a time-series noise covariance matrix Ψ t , distinct from the thermal noise covariance matrix Ψ 0 , and compare its structure to Ψ 0 and the signal coupling matrix SS H formed from the signal intensity vectors S. Inclusion of the measured time-series noise covariance matrix into the model relating tSNR and SNR 0 improves the fit of experimental multichannel data and is shown to be distinct from Ψ 0 or SS H . Time-series noise covariances in array coils are found to differ from Ψ 0 and more surprisingly, from the signal coupling matrix SS H . Correct characterization of the time-series noise has implications for the analysis of time-series data and for improving the coil element combination process. Magn Reson Med 76:1708-1719, 2016. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Testing Refinement Criteria in Adaptive Discontinuous Galerkin Simulations of Dry Atmospheric Convection

DTIC Science & Technology

2011-12-22

matrix Mik = ∫ Ωe ψiψkdΩ; for the sake of simplicity, we did not write the dependence on x of the basis functions although it should be understood that the...polynomial order N throughout all the elements Ωe in the domain Ω = ⋃Ne e =1 Ωe and if we insist that the elements have straight edges, then the matrix M−1...µlim to change between different elements. The total viscosity parameter for each element e is given by µe = max (µtc, µlim, e ) , (25) 7 where µtc is

Experimental and analytical analysis of stress-strain behavior in a (90/0 deg)2s, SiC/Ti-15-3 laminate

NASA Technical Reports Server (NTRS)

Lerch, Bradley A.; Melis, Matthew E.; Tong, Mike

1991-01-01

The nonlinear stress strain behavior of 90 degree/0 degree sub 2s, SiC/Ti-15-3 composite laminate was numerically investigated with a finite element, unit cell approach. Tensile stress-strain curves from room temperature experiments depicted three distinct regions of deformation, and these regions were predicted by finite element analysis. The first region of behavior, which was linear elastic, occurred at low applied stresses. As applied stresses increased, fiber/matrix debonding in the 90 degree plies caused a break in the stress-strain curve and initiated a second linear region. In this second region, matrix plasticity in the 90 degree plies developed. The third region, which was typified by nonlinear, stress-strain behavior occr red at high stresses. In this region, the onset of matrix plasticity in the 0 degree plies stiffened the laminate in the direction transverse to the applied load. Metallographic sections confirmed the existence of matrix plasticity in specific areas of the structure. Finite element analysis also predicted these locations of matrix slip.

High power x-ray welding of metal-matrix composites

DOEpatents

Rosenberg, Richard A.; Goeppner, George A.; Noonan, John R.; Farrell, William J.; Ma, Qing

1999-01-01

A method for joining metal-matrix composites (MMCs) by using high power x-rays as a volumetric heat source is provided. The method involves directing an x-ray to the weld line between two adjacent MMCs materials to create an irradiated region or melt zone. The x-rays have a power density greater than about 10.sup.4 watts/cm.sup.2 and provide the volumetric heat required to join the MMC materials. Importantly, the reinforcing material of the metal-matrix composites remains uniformly distributed in the melt zone, and the strength of the MMCs are not diminished. In an alternate embodiment, high power x-rays are used to provide the volumetric heat required to weld metal elements, including metal elements comprised of metal alloys. In an alternate embodiment, high power x-rays are used to provide the volumetric heat required to weld metal elements, including metal elements comprised of metal alloys.

Multi-energy CT based on a prior rank, intensity and sparsity model (PRISM).

PubMed

Gao, Hao; Yu, Hengyong; Osher, Stanley; Wang, Ge

2011-11-01

We propose a compressive sensing approach for multi-energy computed tomography (CT), namely the prior rank, intensity and sparsity model (PRISM). To further compress the multi-energy image for allowing the reconstruction with fewer CT data and less radiation dose, the PRISM models a multi-energy image as the superposition of a low-rank matrix and a sparse matrix (with row dimension in space and column dimension in energy), where the low-rank matrix corresponds to the stationary background over energy that has a low matrix rank, and the sparse matrix represents the rest of distinct spectral features that are often sparse. Distinct from previous methods, the PRISM utilizes the generalized rank, e.g., the matrix rank of tight-frame transform of a multi-energy image, which offers a way to characterize the multi-level and multi-filtered image coherence across the energy spectrum. Besides, the energy-dependent intensity information can be incorporated into the PRISM in terms of the spectral curves for base materials, with which the restoration of the multi-energy image becomes the reconstruction of the energy-independent material composition matrix. In other words, the PRISM utilizes prior knowledge on the generalized rank and sparsity of a multi-energy image, and intensity/spectral characteristics of base materials. Furthermore, we develop an accurate and fast split Bregman method for the PRISM and demonstrate the superior performance of the PRISM relative to several competing methods in simulations.

Conceptual DFT analysis of the fragility spectra of atoms along the minimum energy reaction coordinate.

PubMed

Ordon, Piotr; Komorowski, Ludwik; Jedrzejewski, Mateusz

2017-10-07

Theoretical justification has been provided to the method for monitoring the sequence of chemical bonds' rearrangement along a reaction path, by tracing the evolution of the diagonal elements of the Hessian matrix. Relations between the divergences of Hellman-Feynman forces and the energy and electron density derivatives have been demonstrated. By the proof presented on the grounds of the conceptual density functional theory formalism, the spectral amplitude observed on the atomic fragility spectra [L. Komorowski et al., Phys. Chem. Chem. Phys. 18, 32658 (2016)] reflects selectively the electron density modifications in bonds of an atom. In fact the spectral peaks for an atom reveal changes of the electron density occurring with bonds creation, breaking, or varying with the reaction progress.

Conceptual DFT analysis of the fragility spectra of atoms along the minimum energy reaction coordinate

NASA Astrophysics Data System (ADS)

Ordon, Piotr; Komorowski, Ludwik; Jedrzejewski, Mateusz

2017-10-01

Theoretical justification has been provided to the method for monitoring the sequence of chemical bonds' rearrangement along a reaction path, by tracing the evolution of the diagonal elements of the Hessian matrix. Relations between the divergences of Hellman-Feynman forces and the energy and electron density derivatives have been demonstrated. By the proof presented on the grounds of the conceptual density functional theory formalism, the spectral amplitude observed on the atomic fragility spectra [L. Komorowski et al., Phys. Chem. Chem. Phys. 18, 32658 (2016)] reflects selectively the electron density modifications in bonds of an atom. In fact the spectral peaks for an atom reveal changes of the electron density occurring with bonds creation, breaking, or varying with the reaction progress.

Electron capture rates in stars studied with heavy ion charge exchange reactions

NASA Astrophysics Data System (ADS)

Bertulani, C. A.

2018-01-01

Indirect methods using nucleus-nucleus reactions at high energies (here, high energies mean ~ 50 MeV/nucleon and higher) are now routinely used to extract information of interest for nuclear astrophysics. This is of extreme relevance as many of the nuclei involved in stellar evolution are short-lived. Therefore, indirect methods became the focus of recent studies carried out in major nuclear physics facilities. Among such methods, heavy ion charge exchange is thought to be a useful tool to infer Gamow-Teller matrix elements needed to describe electron capture rates in stars and also double beta-decay experiments. In this short review, I provide a theoretical guidance based on a simple reaction model for charge exchange reactions.

Improvement of program to calculate electronic properties of narrow band gap materials

NASA Technical Reports Server (NTRS)

Patterson, James D.; Abdelhakiem, Wafaa

1991-01-01

The program was improved by reprogramming it so it will run on both a SUN and a VAX. Also it is easily transportable as it is on a disk for use on a SUN. A computer literature search resulted in some improved parameters for Hg(1-x)Cd(x)Te and a table of parameters for Hg(1-x)Zn(x)Te. The effects of neutral defects were added to the program, and it was found, as expected, that they contribute very little to the mobility at temperatures of interest. The effect were added of varying the following parameters: dielectric constants, screening parameters, disorder energies, donor and acceptor concentrations, momentum matrix element, different expressions for energy gap, and transverse effective charge.

Symbolic Algebra Development for Higher-Order Electron Propagator Formulation and Implementation.

PubMed

Tamayo-Mendoza, Teresa; Flores-Moreno, Roberto

2014-06-10

Through the use of symbolic algebra, implemented in a program, the algebraic expression of the elements of the self-energy matrix for the electron propagator to different orders were obtained. In addition, a module for the software package Lowdin was automatically generated. Second- and third-order electron propagator results have been calculated to test the correct operation of the program. It was found that the Fortran 90 modules obtained automatically with our algorithm succeeded in calculating ionization energies with the second- and third-order electron propagator in the diagonal approximation. The strategy for the development of this symbolic algebra program is described in detail. This represents a solid starting point for the automatic derivation and implementation of higher-order electron propagator methods.

Semimicroscopic analysis of 6Li+28Si elastic scattering at 76 to 318 MeV

NASA Astrophysics Data System (ADS)

Hassanain, M. A.; Anwar, M.; Behairy, Kassem O.

2018-04-01

Using the α-cluster structure of colliding nuclei, the elastic scattering of 6Li+28Si at energies from 76 to 318 MeV has been investigated by the use of the real folding cluster approach. The results of the cluster analysis are compared with those obtained by the CDM3Y6 effective density- and energy-dependent nucleon-nucleon (NN) interaction based upon G -matrix elements of the M3Y-Paris potential. A Woods-Saxon (WS) form was used for the imaginary potential. For all energies and derived potentials, the diffraction region was well reproduced, except at Elab=135 and 154 MeV at large angle. These results suggest that the addition of the surface (DWS) imaginary potential term to the volume imaginary potential is essential for a correct description of the refractive structure of the 6Li elastic scattering distribution at these energies. The energy dependence of the total reaction cross sections and that of the real and imaginary volume integrals is also discussed.

Energy-filtered TEM imaging and EELS study of ODS particles and argon-filled cavities in ferritic-martensitic steels.

PubMed

Klimiankou, M; Lindau, R; Möslang, A

2005-01-01

Oxide-dispersion-strengthened (ODS) ferritic-martensitic steels with yttrium oxide (Y(2)O(3)) have been produced by mechanical alloying and hot isostatic pressing for use as advanced material in fusion power reactors. Argon gas, usually widely used as inert gas during mechanical alloying, was surprisingly detected in the nanodispersion-strengthened materials. Energy-filtered transmission electron microscopy (EFTEM) and electron energy loss spectroscopy (EELS) led to the following results: (i) chemical composition of ODS particles, (ii) voids with typical diameters of 1-6 nm are formed in the matrix, (iii) these voids are filled with Ar gas, and (iv) the high-density nanosized ODS particles serve as trapping centers for the Ar bubbles. The Ar L(3,2) energy loss edge at 245 eV as well as the absorption features of the ODS particle elements were identified in the EELS spectrum. The energy resolution in the EEL spectrum of about 1.0 eV allows to identify the electronic structure of the ODS particles.

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

Richter, W. A.; Mkhize, S.; Brown, B. Alex

The new Hamiltonians USDA and USDB for the sd shell are used to calculate M1 and E2 moments and transition matrix elements, Gamow-Teller {beta}-decay matrix elements, and spectroscopic factors for sd-shell nuclei from A=17 to A=39. The results are compared with those obtained with the older USD Hamiltonian and with experiment to explore the interaction sensitivity of these observables.

Battery element and method for making same

NASA Technical Reports Server (NTRS)

Clough, Thomas J. (Inventor); Pinsky, Naum (Inventor)

1989-01-01

In a method for producing a battery element useful as at least a positive plate in a lead-acid battery, the element comprising a fluid impervious, electrically conductive matrix having mutually opposing first and second surfaces and positive active electrode material associated with the first surface of the matrix, the improvement which comprises: conditioning the first surface to enhance the association of the positive active electrode material and the first surface; and applying and associating the positive active electrode material to the first surface.

Activated phosphors having matrices of yttrium-transition metal compound

DOEpatents

De Kalb, E.L.; Fassel, V.A.

1975-07-01

A method is described for preparing a phosphor composition containing a lanthanide activator element with a host matrix having a transition element as a major component. The host matrix is composed of certain rare earth phosphates or vanadates such as YPO$sub 4$ with a portion of the rare earth replaced with one or more of the transition elements. On x-ray or other electromagnetic excitation, trace lanthanide impurities or additives within the phosphor are spectrometrically determined from their characteristic luminescence. (auth)

Adinkras from ordered quartets of BC4 Coxeter group elements and regarding 1,358,954,496 matrix elements of the Gadget

NASA Astrophysics Data System (ADS)

Gates, S. James; Guyton, Forrest; Harmalkar, Siddhartha; Kessler, David S.; Korotkikh, Vadim; Meszaros, Victor A.

2017-06-01

We examine values of the Adinkra Holoraumy-induced Gadget representation space metric over all possible four-color, four-open node, and four-closed node adinkras. Of the 1,358,954,496 gadget matrix elements, only 226,492,416 are non-vanishing and take on one of three values: -1/3, 1/3, or 1 and thus a subspace isomorphic to a description of a body-centered tetrahedral molecule emerges.

Generalized Kapchinskij-Vladimirskij Distribution and Beam Matrix for Phase-Space Manipulations of High-Intensity Beams

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

Chung, Moses; Qin, Hong; Davidson, Ronald C.

In an uncoupled linear lattice system, the Kapchinskij-Vladimirskij (KV) distribution formulated on the basis of the single-particle Courant-Snyder invariants has served as a fundamental theoretical basis for the analyses of the equilibrium, stability, and transport properties of high-intensity beams for the past several decades. Recent applications of high-intensity beams, however, require beam phase-space manipulations by intentionally introducing strong coupling. Here in this Letter, we report the full generalization of the KV model by including all of the linear (both external and space-charge) coupling forces, beam energy variations, and arbitrary emittance partition, which all form essential elements for phase-space manipulations. Themore » new generalized KV model yields spatially uniform density profiles and corresponding linear self-field forces as desired. Finally, the corresponding matrix envelope equations and beam matrix for the generalized KV model provide important new theoretical tools for the detailed design and analysis of high-intensity beam manipulations, for which previous theoretical models are not easily applicable.« less

Three-dimensional local residual stress and orientation gradients near graphite nodules in ductile cast iron [3D local residual stress and orientation gradients near graphite nodules in ductile cast iron

DOE PAGES

Zhang, Y. B.; Andriollo, T.; Faester, S.; ...

2016-09-14

A synchrotron technique, differential aperture X-ray microscopy (DAXM), has been applied to characterize the microstructure and analyze the local mesoscale residual elastic strain fields around graphite nodules embedded in ferrite matrix grains in ductile cast iron. Compressive residual elastic strains are measured with a maximum strain of ~6.5–8 × 10 –4 near the graphite nodules extending into the matrix about 20 μm, where the elastic strain is near zero. The experimental data are compared with a strain gradient calculated by a finite element model, and good accord has been found but with a significant overprediction of the maximum strain. Thismore » is discussed in terms of stress relaxation during cooling or during storage by plastic deformation of the nodule, the matrix or both. Furthermore, relaxation by plastic deformation of the ferrite is demonstrated by the formation of low energy dislocation cell structure also quantified by the DAXM technique.« less

Generalized Kapchinskij-Vladimirskij Distribution and Beam Matrix for Phase-Space Manipulations of High-Intensity Beams

DOE PAGES

Chung, Moses; Qin, Hong; Davidson, Ronald C.; ...

2016-11-23

In an uncoupled linear lattice system, the Kapchinskij-Vladimirskij (KV) distribution formulated on the basis of the single-particle Courant-Snyder invariants has served as a fundamental theoretical basis for the analyses of the equilibrium, stability, and transport properties of high-intensity beams for the past several decades. Recent applications of high-intensity beams, however, require beam phase-space manipulations by intentionally introducing strong coupling. Here in this Letter, we report the full generalization of the KV model by including all of the linear (both external and space-charge) coupling forces, beam energy variations, and arbitrary emittance partition, which all form essential elements for phase-space manipulations. Themore » new generalized KV model yields spatially uniform density profiles and corresponding linear self-field forces as desired. Finally, the corresponding matrix envelope equations and beam matrix for the generalized KV model provide important new theoretical tools for the detailed design and analysis of high-intensity beam manipulations, for which previous theoretical models are not easily applicable.« less

Synthesis and characterization of new nanocomposites films using alanine-Cu-functionalized graphene oxide as nanofiller and PVA as polymeric matrix for improving of their properties

NASA Astrophysics Data System (ADS)

Abdolmaleki, Amir; Mallakpour, Shadpour; Karshenas, Azam

2017-09-01

In the synthesis of polymer-graphene nanocomposites, for improving properties of nanocomposites, two factors dispersion and strong interfacial interactions between graphene and the polymer, are essential. In the present work, poly(vinyl alcohol) PVA/GO-Cu-alanine nanocomposite films were manufactured using concentrations 0, 1, 3 and 5 wt% of GO-Cu-alanine in water solution. For this purpose, L-alanine amino acid was located on the surface and edges of GO through copper(II) ion as a coordinating function. Then, flexible PVA/GO-Cu-alanine nanocomposite films were fabricated using GO-Cu-alanine as filler and PVA as matrix. Due to the existence of affective interaction between GO-Cu-alanine and PVA matrix, the acquired PVA/GO-Cu-alanine nanocomposites demonstrated great thermal and mechanical properties. Properties of manufactured materials were characterized by Fourier transform infrared, X-ray photoelectron spectroscopies (XPS), X-ray diffraction (XRD), Thermal gravimetric analysis, elemental analysis, field emission scanning electron microscopy, transmission electron microscopy and energy dispersive X-ray spectroscopy (EDX).

Reduced-Density-Matrix Description of Decoherence and Relaxation Processes for Electron-Spin Systems

NASA Astrophysics Data System (ADS)

Jacobs, Verne

2017-04-01

Electron-spin systems are investigated using a reduced-density-matrix description. Applications of interest include trapped atomic systems in optical lattices, semiconductor quantum dots, and vacancy defect centers in solids. Complimentary time-domain (equation-of-motion) and frequency-domain (resolvent-operator) formulations are self-consistently developed. The general non-perturbative and non-Markovian formulations provide a fundamental framework for systematic evaluations of corrections to the standard Born (lowest-order-perturbation) and Markov (short-memory-time) approximations. Particular attention is given to decoherence and relaxation processes, as well as spectral-line broadening phenomena, that are induced by interactions with photons, phonons, nuclear spins, and external electric and magnetic fields. These processes are treated either as coherent interactions or as environmental interactions. The environmental interactions are incorporated by means of the general expressions derived for the time-domain and frequency-domain Liouville-space self-energy operators, for which the tetradic-matrix elements are explicitly evaluated in the diagonal-resolvent, lowest-order, and Markov (short-memory time) approximations. Work supported by the Office of Naval Research through the Basic Research Program at The Naval Research Laboratory.

Modeling of trim panels in the energy finite element analysis

NASA Astrophysics Data System (ADS)

Moravaeji, Seyed-Javid

Modeling a trim panel is divided into finding the power exchange through two different paths: (i) the connection of the outer and inner panels (ii) through the layers directly. The vibrational power exchanged through the mounts is modeled as the connection of two parallel plates connected via a beam. Wave matrices representing plates and beams are derived separately; then a matrix method is proposed to solve for the wave amplitudes and hence the vibrational power exchange between the plates accordingly. A closed form formula for the case of connection of two identical plates is derived. For the power transmission loss directly through the layers, first transfer matrices representing layers made of different materials is considered. New matrices for a porous layer are derived. A method of finding the layered structure transfer matrix is proposed. It is concluded that in general a single isotropic layer cannot replace a structure accurately. Finally, on the basis of an equivalent transfer matrix, an optimization process for is proposed to replace the panel by a suitable set of layers.

An efficient implementation of a high-order filter for a cubed-sphere spectral element model

NASA Astrophysics Data System (ADS)

Kang, Hyun-Gyu; Cheong, Hyeong-Bin

2017-03-01

A parallel-scalable, isotropic, scale-selective spatial filter was developed for the cubed-sphere spectral element model on the sphere. The filter equation is a high-order elliptic (Helmholtz) equation based on the spherical Laplacian operator, which is transformed into cubed-sphere local coordinates. The Laplacian operator is discretized on the computational domain, i.e., on each cell, by the spectral element method with Gauss-Lobatto Lagrange interpolating polynomials (GLLIPs) as the orthogonal basis functions. On the global domain, the discrete filter equation yielded a linear system represented by a highly sparse matrix. The density of this matrix increases quadratically (linearly) with the order of GLLIP (order of the filter), and the linear system is solved in only O (Ng) operations, where Ng is the total number of grid points. The solution, obtained by a row reduction method, demonstrated the typical accuracy and convergence rate of the cubed-sphere spectral element method. To achieve computational efficiency on parallel computers, the linear system was treated by an inverse matrix method (a sparse matrix-vector multiplication). The density of the inverse matrix was lowered to only a few times of the original sparse matrix without degrading the accuracy of the solution. For better computational efficiency, a local-domain high-order filter was introduced: The filter equation is applied to multiple cells, and then the central cell was only used to reconstruct the filtered field. The parallel efficiency of applying the inverse matrix method to the global- and local-domain filter was evaluated by the scalability on a distributed-memory parallel computer. The scale-selective performance of the filter was demonstrated on Earth topography. The usefulness of the filter as a hyper-viscosity for the vorticity equation was also demonstrated.