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Sample records for accurate quartic force

  1. An accurate ab initio quartic force field for ammonia

    NASA Technical Reports Server (NTRS)

    Martin, J. M. L.; Lee, Timothy J.; Taylor, Peter R.

    1992-01-01

    The quartic force field of ammonia is computed using basis sets of spdf/spd and spdfg/spdf quality and an augmented coupled cluster method. After correcting for Fermi resonance, the computed fundamentals and nu 4 overtones agree on average to better than 3/cm with the experimental ones except for nu 2. The discrepancy for nu 2 is principally due to higher-order anharmonicity effects. The computed omega 1, omega 3, and omega 4 confirm the recent experimental determination by Lehmann and Coy (1988) but are associated with smaller error bars. The discrepancy between the computed and experimental omega 2 is far outside the expected error range, which is also attributed to higher-order anharmonicity effects not accounted for in the experimental determination. Spectroscopic constants are predicted for a number of symmetric and asymmetric top isotopomers of NH3.

  2. An accurate ab initio quartic force field for ammonia

    NASA Technical Reports Server (NTRS)

    Martin, J. M. L.; Lee, Timothy J.; Taylor, Peter R.

    1992-01-01

    The quartic force field of ammonia is computed using basis sets of spdf/spd and spdfg/spdf quality and an augmented coupled cluster method. After correcting for Fermi resonance, the computed fundamentals and nu 4 overtones agree on average to better than 3/cm with the experimental ones except for nu 2. The discrepancy for nu 2 is principally due to higher-order anharmonicity effects. The computed omega 1, omega 3, and omega 4 confirm the recent experimental determination by Lehmann and Coy (1988) but are associated with smaller error bars. The discrepancy between the computed and experimental omega 2 is far outside the expected error range, which is also attributed to higher-order anharmonicity effects not accounted for in the experimental determination. Spectroscopic constants are predicted for a number of symmetric and asymmetric top isotopomers of NH3.

  3. An Accurate ab initio Quartic Force Field and Vibrational Frequencies for CH4 and Isotopomers

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Martin, Jan M. L.; Taylor, Peter R.

    1995-01-01

    A very accurate ab initio quartic force field for CH4 and its isotopomers is presented. The quartic force field was determined with the singles and doubles coupled-cluster procedure that includes a quasiperturbative estimate of the effects of connected triple excitations, CCSD(T), using the correlation consistent polarized valence triple zeta, cc-pVTZ, basis set. Improved quadratic force constants were evaluated with the correlation consistent polarized valence quadruple zeta, cc-pVQZ, basis set. Fundamental vibrational frequencies are determined using second-order perturbation theory anharmonic analyses. All fundamentals of CH4 and isotopomers for which accurate experimental values exist and for which there is not a large Fermi resonance, are predicted to within +/- 6 cm(exp -1). It is thus concluded that our predictions for the harmonic frequencies and the anharmonic constants are the most accurate estimates available. It is also shown that using cubic and quartic force constants determined with the correlation consistent polarized double zeta, cc-pVDZ, basis set in conjunction with the cc-pVQZ quadratic force constants and equilibrium geometry leads to accurate predictions for the fundamental vibrational frequencies of methane, suggesting that this approach may be a viable alternative for larger molecules. Using CCSD(T), core correlation is found to reduce the CH4 r(e), by 0.0015 A. Our best estimate for r, is 1.0862 +/- 0.0005 A.

  4. An Accurate ab initio Quartic Force Field and Vibrational Frequencies for CH4 and Isotopomers

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Martin, Jan M. L.; Taylor, Peter R.

    1995-01-01

    A very accurate ab initio quartic force field for CH4 and its isotopomers is presented. The quartic force field was determined with the singles and doubles coupled-cluster procedure that includes a quasiperturbative estimate of the effects of connected triple excitations, CCSD(T), using the correlation consistent polarized valence triple zeta, cc-pVTZ, basis set. Improved quadratic force constants were evaluated with the correlation consistent polarized valence quadruple zeta, cc-pVQZ, basis set. Fundamental vibrational frequencies are determined using second-order perturbation theory anharmonic analyses. All fundamentals of CH4 and isotopomers for which accurate experimental values exist and for which there is not a large Fermi resonance, are predicted to within +/- 6 cm(exp -1). It is thus concluded that our predictions for the harmonic frequencies and the anharmonic constants are the most accurate estimates available. It is also shown that using cubic and quartic force constants determined with the correlation consistent polarized double zeta, cc-pVDZ, basis set in conjunction with the cc-pVQZ quadratic force constants and equilibrium geometry leads to accurate predictions for the fundamental vibrational frequencies of methane, suggesting that this approach may be a viable alternative for larger molecules. Using CCSD(T), core correlation is found to reduce the CH4 r(e), by 0.0015 A. Our best estimate for r, is 1.0862 +/- 0.0005 A.

  5. An Accurate Quartic Force Field and Vibrational Frequencies for HNO and DNO

    NASA Technical Reports Server (NTRS)

    Dateo, Christopher E.; Lee, Timothy J.; Schwenke, David W.

    1994-01-01

    An accurate ab initio quartic force field for HNO has been determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T), in conjunction with the correlation consistent polarized valence triple zeta (cc-pVTZ) basis set. Improved harmonic frequencies were determined with the cc-pVQZ basis set. Fundamental vibrational frequencies were determined using a second-order perturbation theory analysis and also using variational calculations. The N-0 stretch and bending fundamentals are determined well from both vibrational analyses. The H-N stretch, however, is shown to have an unusually large anharmonic correction, and is not well determined using second-order perturbation theory. The H-N fundamental is well determined from the variational calculations, demonstrating the quality of the ab initio quartic force field. The zero-point energy of HNO that should be used in isodesmic reactions is also discussed.

  6. Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Dateo, Christopher E.; Gazdy, Bela; Bowman, Joel M.

    1993-01-01

    The quartic force fields of HCN and HNC are determined using atomic natural orbital one-particle basis sets of spdf/spd and spdfg/spdf quality in conjunction with the CCSD(T) electron correlation method (singles and doubles coupled-cluster theory plus a perturbation estimate of the effects of connected triple excitations). The HCN force field is in good agreement with a recent experimentally derived force field and also with the force field recently computed by Wong and Bacskay. On the basis of the good agreement obtained for HCN, it is argued that the ab initio quartic force field for HNC is superior to a prior force field derived from experiment. The harmonic frequencies of HNC are predicted to be 3822 +/- 10, 472 +/- 5, and 2051 +/- 10 cm(exp -1) for omega(sub 1), omega(sub 2), and omega(sub 3), respectively; the experimentally derived values are above these values and fall outside the estimated uncertainties. Using the quartic force field, spectroscopic constants are predicted for HNC based on a vibrational second-order perturbation theory analysis. It is also asserted that the gas-phase fundamental nu(sub 3) for HNC is slightly lower than the matrix isolation value. The range of validity of the quartic force fields is investigated by comparison of variational vibrational energies computed with the quartic force fields to those obtained from our recently reported global HCN/HNC potential energy surface and also to experimental data.

  7. Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Dateo, Christopher E.; Gazdy, Bela; Bowman, Joel M.

    1993-01-01

    The quartic force fields of HCN and HNC are determined using atomic natural orbital one-particle basis sets of spdf/spd and spdfg/spdf quality in conjunction with the CCSD(T) electron correlation method (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations). The HCN force field is in good agreement with a recent experimentally derived force field and also with the force field recently computed by Wong and Bacskay. On the basis of the good agreement obtained for HCN, it is argued that the ab initio quartic force field for HNC is superior to a prior force field derived from experiment. The harmonic frequencies of HNC are predicted to be 3822 +/- 10,472 +/- 5, and 2051 +/-10/cm for omega1, omega2, and omega3, respectively; the experimentally derived values are above these values and fall outside the estimated uncertainties. Using the quartic force field, spectroscopic constants are predicted for HNC based on a vibrational second-order perturbation theory analysis. It is also asserted that the gas-phase fundamental v(sub 3) for HNC is slightly lower than the matrix isolation value. The range of validity of the quartic force fields is investigated by comparison of variational vibrational energies computed with the quartic force fields to those obtained from our recently reported global HCN/HNC potential energy surface and also to experimental data.

  8. Accurate ab initio quartic force fields for the ions HCO(+) and HOC(+)

    NASA Technical Reports Server (NTRS)

    Martin, J. M. L.; Taylor, Peter R.; Lee, Timothy J.

    1993-01-01

    The quartic force fields of HCO(+) and HOC(+) have been computed using augmented coupled cluster methods and basis sets of spdf and spdfg quality. Calculations on HCN, CO, and N2 have been performed to assist in calibrating the computed results. Going from an spdf to an spdfg basis shortens triple bonds by about 0.004 A, and increases the corresponding harmonic frequency by 10-20/cm, leaving bond distances about 0.003 A too long and triple bond stretching frequencies about 5/cm too low. Accurate estimates for the bond distances, fundamental frequencies, and thermochemical quantities are given. HOC(+) lies 37.8 +/- 0.5 kcal/mol (0 K) above HCO(+); the classical barrier height for proton exchange is 76.7 +/- 1.0 kcal/mol.

  9. Accurate ab initio quartic force fields of cyclic and bent HC2N isomers.

    PubMed

    Inostroza, Natalia; Huang, Xinchuan; Lee, Timothy J

    2011-12-28

    Highly correlated ab initio quartic force fields (QFFs) are used to calculate the equilibrium structures and predict the spectroscopic parameters of three HC(2)N isomers. Specifically, the ground state quasilinear triplet and the lowest cyclic and bent singlet isomers are included in the present study. Extensive treatment of correlation effects were included using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, denoted as CCSD(T). Dunning's correlation-consistent basis sets cc-pVXZ, X = 3,4,5, were used, and a three-point formula for extrapolation to the one-particle basis set limit was used. Core-correlation and scalar relativistic corrections were also included to yield highly accurate QFFs. The QFFs were used together with second-order perturbation theory (PT) (with proper treatment of Fermi resonances) and variational methods to solve the nuclear Schrödinger equation. The quasilinear nature of the triplet isomer is problematic, and it is concluded that a QFF is not adequate to describe properly all of the fundamental vibrational frequencies and spectroscopic constants (though some constants not dependent on the bending motion are well reproduced by PT). On the other hand, this procedure (a QFF together with either PT or variational methods) leads to highly accurate fundamental vibrational frequencies and spectroscopic constants for the cyclic and bent singlet isomers of HC(2)N. All three isomers possess significant dipole moments, 3.05 D, 3.06 D, and 1.71 D, for the quasilinear triplet, the cyclic singlet, and the bent singlet isomers, respectively. It is concluded that the spectroscopic constants determined for the cyclic and bent singlet isomers are the most accurate available, and it is hoped that these will be useful in the interpretation of high-resolution astronomical observations or laboratory experiments.

  10. Accurate ab initio Quartic Force Fields of Cyclic and Bent HC2N Isomers

    NASA Technical Reports Server (NTRS)

    Inostroza, Natalia; Huang, Xinchuan; Lee, Timothy J.

    2012-01-01

    Highly correlated ab initio quartic force field (QFFs) are used to calculate the equilibrium structures and predict the spectroscopic parameters of three HC2N isomers. Specifically, the ground state quasilinear triplet and the lowest cyclic and bent singlet isomers are included in the present study. Extensive treatment of correlation effects were included using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, denoted CCSD(T). Dunning s correlation-consistent basis sets cc-pVXZ, X=3,4,5, were used, and a three-point formula for extrapolation to the one-particle basis set limit was used. Core-correlation and scalar relativistic corrections were also included to yield highly accurate QFFs. The QFFs were used together with second-order perturbation theory (with proper treatment of Fermi resonances) and variational methods to solve the nuclear Schr dinger equation. The quasilinear nature of the triplet isomer is problematic, and it is concluded that a QFF is not adequate to describe properly all of the fundamental vibrational frequencies and spectroscopic constants (though some constants not dependent on the bending motion are well reproduced by perturbation theory). On the other hand, this procedure (a QFF together with either perturbation theory or variational methods) leads to highly accurate fundamental vibrational frequencies and spectroscopic constants for the cyclic and bent singlet isomers of HC2N. All three isomers possess significant dipole moments, 3.05D, 3.06D, and 1.71D, for the quasilinear triplet, the cyclic singlet, and the bent singlet isomers, respectively. It is concluded that the spectroscopic constants determined for the cyclic and bent singlet isomers are the most accurate available, and it is hoped that these will be useful in the interpretation of high-resolution astronomical observations or laboratory experiments.

  11. Accurate ab initio quartic force fields for borane and BeH2

    NASA Technical Reports Server (NTRS)

    Martin, J. M. L.; Lee, Timothy J.

    1992-01-01

    The quartic force fields of BH3 and BeH2 have been computed ab initio using an augmented coupled cluster (CCSD(T)) method and basis sets of spdf and spdfg quality. For BH3, the computed spectroscopic constants are in very good agreement with recent experimental data, and definitively confirm misassignments in some older work, in agreement with recent ab initio studies. Using the computed spectroscopic constants, the rovibrational partition function for both molecules has been constructed using a modified direct numerical summation algorithm, and JANAF-style thermochemical tables are presented.

  12. Highly Accurate Quartic Force Fields, Vibrational Frequencies, and Spectroscopic Constants for Cyclic and Linear C3H3(+)

    NASA Technical Reports Server (NTRS)

    Huang, Xinchuan; Taylor, Peter R.; Lee, Timothy J.

    2011-01-01

    High levels of theory have been used to compute quartic force fields (QFFs) for the cyclic and linear forms of the C H + molecular cation, referred to as c-C H + and I-C H +. Specifically the 33 3333 singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, CCSD(T), has been used in conjunction with extrapolation to the one-particle basis set limit and corrections for scalar relativity and core correlation have been included. The QFFs have been used to compute highly accurate fundamental vibrational frequencies and other spectroscopic constants using both vibrational 2nd-order perturbation theory and variational methods to solve the nuclear Schroedinger equation. Agreement between our best computed fundamental vibrational frequencies and recent infrared photodissociation experiments is reasonable for most bands, but there are a few exceptions. Possible sources for the discrepancies are discussed. We determine the energy difference between the cyclic and linear forms of C H +, 33 obtaining 27.9 kcal/mol at 0 K, which should be the most reliable available. It is expected that the fundamental vibrational frequencies and spectroscopic constants presented here for c-C H + 33 and I-C H + are the most reliable available for the free gas-phase species and it is hoped that 33 these will be useful in the assignment of future high-resolution laboratory experiments or astronomical observations.

  13. An Accurate Quartic Force Field, Fundamental Frequencies, and Binding Energy for the High Energy Density Material T(d)N4

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Martin, Jan M. L.; Kwak, Dochan (Technical Monitor)

    2002-01-01

    The CCSD(T) method has been used to compute a highly accurate quartic force field and fundamental frequencies for all N-14 and N-15 isotopomers of the high energy density material T(sub d)N(sub 4). The computed fundamental frequencies show beyond doubt that the bands observed in a matrix isolation experiment by Radziszewski and coworkers are not due to different isotopomers of T(sub d)N(sub 4). The most sophisticated thermochemical calculations to date yield a N(sub 4) -> 2N(sub 2) heat of reaction of 182.22 +/- 0.5 kcal/mol at 0 K (180.64 +/- 0.5 at 298 K). It is hoped that the data reported herein will aid in the ultimate detection of T(sub d)N(sub 4).

  14. Accurate ab Initio Quartic Force Fields, Vibrational Frequencies, and Heats of Formation for FCN, FNC, ClCN, and ClNC

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Martin, Jan M. L.; Dateo, Christopher E.; Taylor, Peter R.

    1995-01-01

    The XCN and XNC (X = F, Cl) isomers have been investigated using the CCSD(T) method in conjunction with correlation consistent basis sets. Equilibrium geometries, harmonic frequencies, anharmonic constants, fundamental frequencies, and heats of formation have been evaluated. Agreement with experiment for the fundamental frequencies is very good, even for nu(sub 2), for CICN, which is subject to a strong Fermi resonance with 2nu(sub 3). It is also shown that a second-order perturbation theory approach to solving the nuclear Schroedinger equation gives results in excellent agreement with essentially exact variational calculations. This is true even for nu(sub 2) of ClCN, provided that near-singular terms are eliminated from the perturbation theory formulas and the appropriate Fermi interaction energy matrix is then diagonalized. A band at 615/cm, tentatively assigned as the Cl-N stretch in ClNC in matrix isolation experiments, is shown not to be due to ClNC. Accurate atomization energies are determined and are used to evaluate accurate heats of formation (3.1 +/- 1.5, 33.2 +/- 1.5, 72.6 +/- 1.5, and 75.9 +/- 1.5 kcal/mol for FCN, ClCN, FNC, and ClNC, respectively). It is expected that the theoretical heats of formation for FCN, FNC, and ClNC are the most accurate available.

  15. On the Use of Quartic Force Fields in Variational Calculations

    NASA Technical Reports Server (NTRS)

    Fortenberry, Ryan C.; Huang, Xinchuan; Yachmenev, Andrey; Thiel, Walter; Lee, Timothy J.

    2013-01-01

    The use of quartic force fields (QFFs) has been shown to be one of the most effective ways to efficiently compute vibrational frequencies for small molecules. In this paper we outline and discuss how the simple-internal or bond-length bond-angle (BLBA) coordinates can be transformed into Morse-cosine(-sine) coordinates which produce potential energy surfaces from QFFs that possess proper limiting behavior and can effectively describe the vibrational (or rovibrational) energy levels of an arbitrary molecular system. We investigate parameter scaling in the Morse coordinate, symmetry considerations, and examples of transformed QFFs making use of the MULTIMODE, TROVE, and VTET variational vibrational methods. Cases are referenced where variational computations coupled with transformed QFFs produce accuracies compared to experiment for fundamental frequencies on the order of 5 cm(exp -1) and often as good as 1 cm(exp -1).

  16. Accurate quartic and sextic centrifugal distortion constants of CH3CP

    NASA Astrophysics Data System (ADS)

    Bizzocchi, L.; Cludi, L.; Degli Esposti, C.

    2003-03-01

    1-Phosphapropyne has been produced in the gas phase by pyrolysis of a mixture of ethane and phosphorus trichloride. The ground state rotational spectra of the most abundant isotopomer and of the isotopic variants 13CH3CP and CH313CP have been investigated in the millimeter and submillimeter wave regions obtaining very accurate values of the quartic centrifugal distortion constants DJ and DJK and of the sextic distortion constants HJK and HKJ.

  17. Analytic cubic and quartic force fields using density-functional theory

    NASA Astrophysics Data System (ADS)

    Ringholm, Magnus; Jonsson, Dan; Bast, Radovan; Gao, Bin; Thorvaldsen, Andreas J.; Ekström, Ulf; Helgaker, Trygve; Ruud, Kenneth

    2014-01-01

    We present the first analytic implementation of cubic and quartic force constants at the level of Kohn-Sham density-functional theory. The implementation is based on an open-ended formalism for the evaluation of energy derivatives in an atomic-orbital basis. The implementation relies on the availability of open-ended codes for evaluation of one- and two-electron integrals differentiated with respect to nuclear displacements as well as automatic differentiation of the exchange-correlation kernels. We use generalized second-order vibrational perturbation theory to calculate the fundamental frequencies of methane, ethane, benzene, and aniline, comparing B3LYP, BLYP, and Hartree-Fock results. The Hartree-Fock anharmonic corrections agree well with the B3LYP corrections when calculated at the B3LYP geometry and from B3LYP normal coordinates, suggesting that the inclusion of electron correlation is not essential for the reliable calculation of cubic and quartic force constants.

  18. Analytic cubic and quartic force fields using density-functional theory

    SciTech Connect

    Ringholm, Magnus; Gao, Bin; Thorvaldsen, Andreas J.; Ruud, Kenneth; Jonsson, Dan; Bast, Radovan; Ekström, Ulf; Helgaker, Trygve

    2014-01-21

    We present the first analytic implementation of cubic and quartic force constants at the level of Kohn–Sham density-functional theory. The implementation is based on an open-ended formalism for the evaluation of energy derivatives in an atomic-orbital basis. The implementation relies on the availability of open-ended codes for evaluation of one- and two-electron integrals differentiated with respect to nuclear displacements as well as automatic differentiation of the exchange–correlation kernels. We use generalized second-order vibrational perturbation theory to calculate the fundamental frequencies of methane, ethane, benzene, and aniline, comparing B3LYP, BLYP, and Hartree–Fock results. The Hartree–Fock anharmonic corrections agree well with the B3LYP corrections when calculated at the B3LYP geometry and from B3LYP normal coordinates, suggesting that the inclusion of electron correlation is not essential for the reliable calculation of cubic and quartic force constants.

  19. Solving Quartics

    ERIC Educational Resources Information Center

    Kulkarni, R. G.

    2007-01-01

    A technique is presented, which is different from the well-known Ferrari's method, to solve a general quartic equation. Formulae for the four roots of quartic are derived. A numerical example verifies the formulae obtained.

  20. Semi-quartic force fields retrieved from multi-mode expansions: Accuracy, scaling behavior, and approximations

    SciTech Connect

    Ramakrishnan, Raghunathan; Rauhut, Guntram

    2015-04-21

    Semi-quartic force fields (QFF) rely on a Taylor-expansion of the multi-dimensional Born-Oppenheimer potential energy surface (PES) and are frequently used within the calculation of anharmonic vibrational frequencies based on 2nd order vibrational perturbation theory (VPT2). As such they are usually determined by differentiation of the electronic energy with respect to the nuclear coordinates. Alternatively, potential energy surfaces can be expanded in terms of multi-mode expansions, which typically do not require any derivative techniques. The computational effort to retrieve QFF from size-reduced multi-mode expansions has been studied and has been compared with standard Taylor-expansions. As multi-mode expansions allow for the convenient introduction of subtle approximations, these will be discussed in some detail. In addition, a preliminary study about the applicability of a generalized Duschinsky transformation to QFFs is provided. This transformation allows for the efficient evaluation of VPT2 frequencies of isotopologues from the PES of the parent compound and thus avoids the recalculation of PESs in different axes systems.

  1. Protonated Nitrous Oxide, NNOH(+): Fundamental Vibrational Frequencies and Spectroscopic Constants from Quartic Force Fields

    NASA Technical Reports Server (NTRS)

    Huang, Xinchuan; Fortenberry, Ryan C.; Lee, Timothy J.

    2013-01-01

    The interstellar presence of protonated nitrous oxide has been suspected for some time. Using established high-accuracy quantum chemical techniques, spectroscopic constants and fundamental vibrational frequencies are provided for the lower energy O-protonated isomer of this cation and its deuterated isotopologue. The vibrationally-averaged B0 and C0 rotational constants are within 6 MHz of their experimental values and the D(subJ) quartic distortion constants agree with experiment to within 3%. The known gas phase O-H stretch of NNOH(+) is 3330.91 cm(exp-1), and the vibrational configuration interaction computed result is 3330.9 cm(exp-1). Other spectroscopic constants are also provided, as are the rest of the fundamental vibrational frequencies for NNOH(+) and its deuterated isotopologue. This high-accuracy data should serve to better inform future observational or experimental studies of the rovibrational bands of protonated nitrous oxide in the ISM and the laboratory.

  2. Quartic force field predictions of the fundamental vibrational frequencies and spectroscopic constants of the cations HOCO+ and DOCO+

    NASA Astrophysics Data System (ADS)

    Fortenberry, Ryan C.; Huang, Xinchuan; Francisco, Joseph S.; Crawford, T. Daniel; Lee, Timothy J.

    2012-06-01

    Only one fundamental vibrational frequency of protonated carbon dioxide (HOCO+) has been experimentally observed in the gas phase: the ν1 O-H stretch. Utilizing quartic force fields defined from CCSD(T)/aug-cc-pVXZ (X = T,Q,5) complete basis set limit extrapolated energies modified to include corrections for core correlation and scalar relativistic effects coupled to vibrational perturbation theory and vibrational configuration interaction computations, we are predicting the full set of gas phase fundamental vibrational frequencies of HOCO+. Our prediction of ν1 is within less than 1 cm-1 of the experimental value. Our computations also include predictions of the gas phase fundamental vibrational frequencies of the deuterated form of the cation, DOCO+. Additionally, other spectroscopic constants for both systems are reported as part of this study, and a search for a cis-HOCO+ minimum found no such stationary point on the potential surface indicating that only the trans isomer is stable.

  3. Quartic force field-derived vibrational frequencies and spectroscopic constants for the isomeric pair SNO and OSN and isotopologues

    SciTech Connect

    Fortenberry, Ryan C.; Francisco, Joseph S.

    2015-08-28

    The SNO and OSN radical isomers are likely to be of significance in atmospheric and astrochemistry, but very little is known about their gas phase spectroscopic properties. State-of-the-art ab initio composite quartic force fields are employed to analyze the rovibrational features for both systems. Comparison to condensed-phase experimental data for SNO has shown that the 1566.4 cm{sup −1} ν{sub 1} N–O stretch is indeed exceptionally bright and likely located in this vicinity for subsequent gas phase experimental analysis. The OSN ν{sub 1} at 1209.4 cm{sup −1} is better described as the antisymmetric stretch in this molecule and is also quite bright. The full vibrational, rotational, and rovibrational data are provided for SNO and OSN and their single {sup 15}N, {sup 18}O, and {sup 34}S isotopic substitutions in order to give a more complete picture as to the chemical physics of these molecules.

  4. Anharmonic Rovibrational Calculations of Singlet Cyclic C4 Using a New Ab Initio Potential and a Quartic Force

    NASA Technical Reports Server (NTRS)

    Wang, Xiaohong; Huang, Xinchuan; Bowman, Joel M.; Lee, Timothy J.

    2013-01-01

    We report a CCSD(T)/cc-pCV5Z quartic force field (QFF) and a semi-global CCSD(T)-F12b/aug-cc-pVTZ potential energy surface (PES) for singlet, cyclic C4. Vibrational fundamentals, combinations and overtones are obtained using vibrational second-order perturbation theory (VPT2) and the vibrational configurationinteraction (VCI) approach. Agreement is within 10 cm(exp -1) between the VCI calculated fundamentals on the QFF and PES using the MULTIMODE (MM) program, and VPT2 and VCI results agree for the fundamentals. The agreement between VPT2- QFF and MM-QFF results is also good for the C4 combinations and overtones. The J = 1 and J = 2 rovibrational energies are reported from both VCI (MM) on the PES and VPT2 on the QFF calculations. The spectroscopic constants of (12)C4 and two C(sub 2v)-symmetry, single (13)C-substituted isotopologues are presented, which may help identification of cyclic C4 in future experimental analyses or astronomical observations.

  5. Potential interstellar noble gas molecules: ArOH+ and NeOH+ rovibrational analysis from quantum chemical quartic force fields

    NASA Astrophysics Data System (ADS)

    Theis, Riley A.; Fortenberry, Ryan C.

    2016-03-01

    The discovery of ArH+ in the interstellar medium has shown that noble gas chemistry may be of more chemical significance than previously believed. The present work extends the known chemistry of small noble gas molecules to NeOH+ and ArOH+. Besides their respective neonium and argonium diatomic cation cousins, these hydroxyl cation molecules are the most stable small noble gas molecules analyzed of late. ArOH+ is once again more stable than the neon cation, but both are well-behaved enough for a complete quartic force field analysis of their rovibrational properties. The Ar-O bond in ArOH+ , for instance, is roughly three-quarters of the strength of the Ar-H bond in ArH+ highlighting the rigidity of this system. The rotational constants, geometries, and vibrational frequencies for both molecules and their various isotopologues are computed from ab initio quantum chemical theory at high-level, and it is shown that these cations may form in regions where peroxy or weakly-bound alcohols may be present. The resulting data should be of significant assistance for the laboratory or observational analysis of these potential interstellar molecules.

  6. Quartic force fields for excited electronic states: rovibronic reference data for the 1 (2)A' and 1 (2)A″ states of the isoformyl radical, HOC.

    PubMed

    Morgan, W James; Fortenberry, Ryan C

    2015-01-25

    Quartic force fields (QFFs) have been shown to be an effective, accurate, and relatively compact means of computing rovibrational spectroscopic data for numerous molecules with numerous applications. However, excited states have been nearly excluded from the this approach since most accurate QFFs are based on the "gold standard" coupled cluster singles, doubles, and perturbative triples [CCSD(T)] method which is not readily extended to excited states. In this work, rovibronic spectroscopic data is provided for the isoformyl radical, a molecule of significance in combustion and astrochemistry, both through the traditional means of variational access to excited states with CCSD(T) and in the novel extension of QFFs routinely to treat electronically excited states through the standard coupled cluster excited state approach, equation of motion (EOM) CCSD. It is shown here that the new EOM-based QFF provides structural parameters and rotational constants that are quite close to those from a related CCSD(T)-based QFF for the 1 (2)A(″) excited state of HOC. The anharmonic vibrational frequency percent differences between the two QFFs are less than 0.4% for the O-H stretch, less than 1.9% for the C-O stretch, and around 3.0% for the bend. Even so, the pure excited state EOM-QFF anharmonic frequencies are still very good abinitio representations that may be applied to systems where electronically excited states are not variationally accessible. Additionally, rovibrational spectroscopic data is provided for the 1 (2)A(') ground state of HOC and for both the ground and excited state of DOC.

  7. Quartic canonical force field in curvilinear internal coordinates for XY3 (D3h) molecules. The case of the BH3 molecule.

    PubMed

    Ródenas, Consuelo Rosales; Quesada, Juana Vázquez; Torres, Emilio Martínez; González, Juan Jesús López

    2014-06-01

    Using the canonical force field theory, expressions of quadratic, cubic, and quartic canonical force constants are obtained for XY3 (D3h) molecules in curvilinear redundant coordinates, i.e., simple valence internal coordinates (VICs), in terms of force constants in normal coordinates and in independent symmetry coordinates. To carry out this task, it was previously necessary to obtain for the first time the non-linear redundancy relation and the corresponding orthogonal projection onto the pure vibrational manifold for XY3 (D3h) molecules corresponding to a set of seven VICs. As an application, the quartic canonical force field in curvilinear redundant internal coordinates of BH3 is determined from ab initio force fields in normal coordinates calculated at the coupled-cluster singles and doubles level with perturbative treatment of the triples in conjunction with a triple- and quadruple-ζ size basis set. This anharmonic force field so obtained for the borane molecule, and in general for XY3 (D3h) molecules, is uniquely defined (therefore in an unambiguous form) and depending on the same number of parameters, i.e., force constants, when independent coordinates (natural or symmetry) are used in its description.

  8. The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene

    SciTech Connect

    Mackie, Cameron J. Candian, Alessandra; Tielens, Alexander G. G. M.; Huang, Xinchuan; Maltseva, Elena; Buma, Wybren Jan; Petrignani, Annemieke; Oomens, Jos; Lee, Timothy J.

    2015-12-14

    Current efforts to characterize and study interstellar polycyclic aromatic hydrocarbons (PAHs) rely heavily on theoretically predicted infrared (IR) spectra. Generally, such studies use the scaled harmonic frequencies for band positions and double harmonic approximation for intensities of species, and then compare these calculated spectra with experimental spectra obtained under matrix isolation conditions. High-resolution gas-phase experimental spectroscopic studies have recently revealed that the double harmonic approximation is not sufficient for reliable spectra prediction. In this paper, we present the anharmonic theoretical spectra of three PAHs: naphthalene, anthracene, and tetracene, computed with a locally modified version of the SPECTRO program using Cartesian derivatives transformed from Gaussian 09 normal coordinate force constants. Proper treatments of Fermi resonances lead to an impressive improvement on the agreement between the observed and theoretical spectra, especially in the C–H stretching region. All major IR absorption features in the full-scale matrix-isolated spectra, the high-temperature gas-phase spectra, and the most recent high-resolution gas-phase spectra obtained under supersonically cooled molecular beam conditions in the CH-stretching region are assigned.

  9. Vibrational Frequencies and Spectroscopic Constants for 1(sup 3)A' HNC and 1(sup 3)A' HOC+ from High-Accuracy Quartic Force Fields

    NASA Technical Reports Server (NTRS)

    Fortenberry, Ryan C.; Crawford, T. Daniel; Lee, Timothy J.

    2014-01-01

    The spectroscopic constants and vibrational frequencies for the 1(sup 3)A' states of HNC, DNC, HOC+, and DOC+ are computed and discussed in this work. The reliable CcCR quartic force field based on high-level coupled cluster ab initio quantum chemical computations is exclusively utilized to provide the anharmonic potential. Then, second order vibrational perturbation theory and vibrational configuration interaction methods are employed to treat the nuclear Schroedinger equation. Second-order perturbation theory is also employed to provide spectroscopic data for all molecules examined. The relationship between these molecules and the corresponding 1(sup 3)A' HCN and HCO+ isomers is further developed here. These data are applicable to laboratory studies involving formation of HNC and HOC+ as well as astronomical observations of chemically active astrophysical environments.

  10. High-Accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 1(exp 1)A' l-C3H(-): A Possible Link to Lines Observed in the Horsehead Nebula PDR

    NASA Technical Reports Server (NTRS)

    Fortenberry, Ryan C.; Huang, Xinchuan; Crawford, T. Daniel; Lee, Timothy J.

    2013-01-01

    It has been shown that rotational lines observed in the Horsehead nebula photon-dominated-region (PDR) are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 1 (sup 1)A' C3H(-). The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar anions. Additionally, the computed D-eff for C3H(-) is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C3H(+). As a result, 1 (sup 1)A' C3H(-). is a more viable candidate for these observed rotational transitions and would be the seventh confirmed interstellar anion detected within the past decade and the first C(sub n)H(-) molecular anion with an odd n.

  11. Control Strategies for Accurate Force Generation and Relaxation.

    PubMed

    Ohtaka, Chiaki; Fujiwara, Motoko

    2016-10-01

    Characteristics and motor strategies for force generation and force relaxation were examined using graded tasks during isometric force control. Ten female college students (M age = 20.2 yr., SD = 1.1) were instructed to accurately control the force of isometric elbow flexion using their right arm to match a target force level as quickly as possible. They performed: (1) a generation task, wherein they increased their force from 0% maximum voluntary force to 20% maximum voluntary force (0%-20%), 40% maximum voluntary force (0%-40%), or 60% maximum voluntary force (0%-60%) and (2) and a relaxation task, in which they decreased their force from 60% maximum voluntary force to 40% maximum voluntary force (60%-40%), 20% maximum voluntary force (60%-20%), or to 0% maximum voluntary force (60%-0%). Produced force parameters of point of accuracy (force level, error), quickness (reaction time, adjustment time, rate of force development), and strategy (force wave, rate of force development) were analyzed. Errors of force relaxation were all greater, and reaction times shorter, than those of force generation. Adjustment time depended on the magnitude of force and peak rates of force development and force relaxation differed. Controlled relaxation of force is more difficult with low magnitude of force control.

  12. Anharmonic rovibrational calculations of singlet cyclic C{sub 4} using a new ab initio potential and a quartic force field

    SciTech Connect

    Wang, Xiaohong; Bowman, Joel M.; Huang, Xinchuan; Lee, Timothy J.

    2013-12-14

    We report a CCSD(T)/cc-pCV5Z quartic force field (QFF) and a semi-global CCSD(T)-F12b/aug-cc-pVTZ potential energy surface (PES) for singlet, cyclic C{sub 4}. Vibrational fundamentals, combinations, and overtones are obtained using vibrational second-order perturbation theory (VPT2) and the vibrational configuration-interaction (VCI) approach. Agreement is within 10 cm{sup −1} between the VCI calculated fundamentals on the QFF and PES using the MULTIMODE (MM) program, and VPT2 and VCI results agree for the fundamentals. The agreement between VPT2-QFF and MM-QFF results is also good for the C{sub 4} combinations and overtones. The J = 1 and J = 2 rovibrational energies are reported from both VCI (MM) on the PES and VPT2 on the QFF calculations. The spectroscopic constants of {sup 12}C{sub 4} and two C{sub 2v}-symmetry, single {sup 13}C-substituted isotopologues are presented, which may help identification of cyclic C{sub 4} in future experimental analyses or astronomical observations.

  13. Pure-quartic solitons

    PubMed Central

    Blanco-Redondo, Andrea; Martijn, de Sterke C.; Sipe, J.E.; Krauss, Thomas F.; Eggleton, Benjamin J.; Husko, Chad

    2016-01-01

    Temporal optical solitons have been the subject of intense research due to their intriguing physics and applications in ultrafast optics and supercontinuum generation. Conventional bright optical solitons result from the interaction of anomalous group-velocity dispersion and self-phase modulation. Here we experimentally demonstrate a class of bright soliton arising purely from the interaction of negative fourth-order dispersion and self-phase modulation, which can occur even for normal group-velocity dispersion. We provide experimental and numerical evidence of shape-preserving propagation and flat temporal phase for the fundamental pure-quartic soliton and periodically modulated propagation for the higher-order pure-quartic solitons. We derive the approximate shape of the fundamental pure-quartic soliton and discover that is surprisingly Gaussian, exhibiting excellent agreement with our experimental observations. Our discovery, enabled by precise dispersion engineering, could find applications in communications, frequency combs and ultrafast lasers. PMID:26822758

  14. Collective Quartics from Simple Groups

    SciTech Connect

    Hook, Anson; Wacker, Jay G.; /SLAC

    2010-08-26

    This article classifies Little Higgs models that have collective quartic couplings. There are two classes of collective quartics: Special Cosets and Special Quartics. After taking into account dangerous singlets, the smallest Special Coset models are SU(5)/SO(5) and SU(6)/Sp(6). The smallest Special Quartic model is SU(5)/SU(3) x SU(2) x U(1) and has not previously been considered as a candidate Little Higgs model.

  15. HIGH-ACCURACY QUARTIC FORCE FIELD CALCULATIONS FOR THE SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES OF 1{sup 1} A' l-C{sub 3}H{sup -}: A POSSIBLE LINK TO LINES OBSERVED IN THE HORSEHEAD NEBULA PHOTODISSOCIATION REGION

    SciTech Connect

    Fortenberry, Ryan C.; Lee, Timothy J.; Huang, Xinchuan; Crawford, T. Daniel

    2013-07-20

    It has been shown that rotational lines observed in the Horsehead nebula photodissociation region (PDR) are probably not caused by l-C{sub 3}H{sup +}, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 1 {sup 1} A' C{sub 3}H{sup -}. The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar anions. Additionally, the computed D{sub eff} for C{sub 3}H{sup -} is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C{sub 3}H{sup +}. As a result, 1 {sup 1} A' C{sub 3}H{sup -} is a more viable candidate for these observed rotational transitions. It has been previously proposed that at least C{sub 6}H{sup -} may be present in the Horsehead nebular PDR formed by way of radiative attachment through its dipole-bound excited state. C{sub 3}H{sup -} could form in a similar way through its dipole-bound state, but its valence excited state increases the number of relaxation pathways possible to reach the ground electronic state. In turn, the rate of formation for C{sub 3}H{sup -} could be greater than the rate of its destruction. C{sub 3}H{sup -} would be the seventh confirmed interstellar anion detected within the past decade and the first C{sub n}H{sup -} molecular anion with an odd n.

  16. High-accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 11 A' l-C3H-: A Possible Link to Lines Observed in the Horsehead Nebula Photodissociation Region

    NASA Astrophysics Data System (ADS)

    Fortenberry, Ryan C.; Huang, Xinchuan; Crawford, T. Daniel; Lee, Timothy J.

    2013-07-01

    It has been shown that rotational lines observed in the Horsehead nebula photodissociation region (PDR) are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 1 1 A' C3H-. The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar anions. Additionally, the computed D eff for C3H- is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C3H+. As a result, 1 1 A' C3H- is a more viable candidate for these observed rotational transitions. It has been previously proposed that at least C6H- may be present in the Horsehead nebular PDR formed by way of radiative attachment through its dipole-bound excited state. C3H- could form in a similar way through its dipole-bound state, but its valence excited state increases the number of relaxation pathways possible to reach the ground electronic state. In turn, the rate of formation for C3H- could be greater than the rate of its destruction. C3H- would be the seventh confirmed interstellar anion detected within the past decade and the first C n H- molecular anion with an odd n.

  17. Practical Schemes for Accurate Forces in Quantum Monte Carlo.

    PubMed

    Moroni, S; Saccani, S; Filippi, C

    2014-11-11

    While the computation of interatomic forces has become a well-established practice within variational Monte Carlo (VMC), the use of the more accurate Fixed-Node Diffusion Monte Carlo (DMC) method is still largely limited to the computation of total energies on structures obtained at a lower level of theory. Algorithms to compute exact DMC forces have been proposed in the past, and one such scheme is also put forward in this work, but remain rather impractical due to their high computational cost. As a practical route to DMC forces, we therefore revisit here an approximate method, originally developed in the context of correlated sampling and named here the Variational Drift-Diffusion (VD) approach. We thoroughly investigate its accuracy by checking the consistency between the approximate VD force and the derivative of the DMC potential energy surface for the SiH and C2 molecules and employ a wide range of wave functions optimized in VMC to assess its robustness against the choice of trial function. We find that, for all but the poorest wave function, the discrepancy between force and energy is very small over all interatomic distances, affecting the equilibrium bond length obtained with the VD forces by less than 0.004 au. Furthermore, when the VMC forces are approximate due to the use of a partially optimized wave function, the DMC forces have smaller errors and always lead to an equilibrium distance in better agreement with the experimental value. We also show that the cost of computing the VD forces is only slightly larger than the cost of calculating the DMC energy. Therefore, the VD approximation represents a robust and efficient approach to compute accurate DMC forces, superior to the VMC counterparts.

  18. Motor equivalence during multi-finger accurate force production

    PubMed Central

    Mattos, Daniela; Schöner, Gregor; Zatsiorsky, Vladimir M.; Latash, Mark L.

    2014-01-01

    We explored stability of multi-finger cyclical accurate force production action by analysis of responses to small perturbations applied to one of the fingers and inter-cycle analysis of variance. Healthy subjects performed two versions of the cyclical task, with and without an explicit target. The “inverse piano” apparatus was used to lift/lower a finger by 1 cm over 0.5 s; the subjects were always instructed to perform the task as accurate as they could at all times. Deviations in the spaces of finger forces and modes (hypothetical commands to individual fingers) were quantified in directions that did not change total force (motor equivalent) and in directions that changed the total force (non-motor equivalent). Motor equivalent deviations started immediately with the perturbation and increased progressively with time. After a sequence of lifting-lowering perturbations leading to the initial conditions, motor equivalent deviations were dominating. These phenomena were less pronounced for analysis performed with respect to the total moment of force with respect to an axis parallel to the forearm/hand. Analysis of inter-cycle variance showed consistently higher variance in a subspace that did not change the total force as compared to the variance that affected total force. We interpret the results as reflections of task-specific stability of the redundant multi-finger system. Large motor equivalent deviations suggest that reactions of the neuromotor system to a perturbation involve large changes of neural commands that do not affect salient performance variables, even during actions with the purpose to correct those salient variables. Consistency of the analyses of motor equivalence and variance analysis provides additional support for the idea of task-specific stability ensured at a neural level. PMID:25344311

  19. Accurate interatomic force fields via machine learning with covariant kernels

    NASA Astrophysics Data System (ADS)

    Glielmo, Aldo; Sollich, Peter; De Vita, Alessandro

    2017-06-01

    We present a novel scheme to accurately predict atomic forces as vector quantities, rather than sets of scalar components, by Gaussian process (GP) regression. This is based on matrix-valued kernel functions, on which we impose the requirements that the predicted force rotates with the target configuration and is independent of any rotations applied to the configuration database entries. We show that such covariant GP kernels can be obtained by integration over the elements of the rotation group SO (d ) for the relevant dimensionality d . Remarkably, in specific cases the integration can be carried out analytically and yields a conservative force field that can be recast into a pair interaction form. Finally, we show that restricting the integration to a summation over the elements of a finite point group relevant to the target system is sufficient to recover an accurate GP. The accuracy of our kernels in predicting quantum-mechanical forces in real materials is investigated by tests on pure and defective Ni, Fe, and Si crystalline systems.

  20. Accurate Satellite-Derived Estimates of Tropospheric Ozone Radiative Forcing

    NASA Technical Reports Server (NTRS)

    Joiner, Joanna; Schoeberl, Mark R.; Vasilkov, Alexander P.; Oreopoulos, Lazaros; Platnick, Steven; Livesey, Nathaniel J.; Levelt, Pieternel F.

    2008-01-01

    Estimates of the radiative forcing due to anthropogenically-produced tropospheric O3 are derived primarily from models. Here, we use tropospheric ozone and cloud data from several instruments in the A-train constellation of satellites as well as information from the GEOS-5 Data Assimilation System to accurately estimate the instantaneous radiative forcing from tropospheric O3 for January and July 2005. We improve upon previous estimates of tropospheric ozone mixing ratios from a residual approach using the NASA Earth Observing System (EOS) Aura Ozone Monitoring Instrument (OMI) and Microwave Limb Sounder (MLS) by incorporating cloud pressure information from OMI. Since we cannot distinguish between natural and anthropogenic sources with the satellite data, our estimates reflect the total forcing due to tropospheric O3. We focus specifically on the magnitude and spatial structure of the cloud effect on both the shortand long-wave radiative forcing. The estimates presented here can be used to validate present day O3 radiative forcing produced by models.

  1. Development of accurate force fields for the simulation of biomineralization.

    PubMed

    Raiteri, Paolo; Demichelis, Raffaella; Gale, Julian D

    2013-01-01

    The existence of an accurate force field (FF) model that reproduces the free-energy landscape is a key prerequisite for the simulation of biomineralization. Here, the stages in the development of such a model are discussed including the quality of the water model, the thermodynamics of polymorphism, and the free energies of solvation for the relevant species. The reliability of FFs can then be benchmarked against quantities such as the free energy of ion pairing in solution, the solubility product, and the structure of the mineral-water interface.

  2. Direct computation of parameters for accurate polarizable force fields

    SciTech Connect

    Verstraelen, Toon Vandenbrande, Steven; Ayers, Paul W.

    2014-11-21

    We present an improved electronic linear response model to incorporate polarization and charge-transfer effects in polarizable force fields. This model is a generalization of the Atom-Condensed Kohn-Sham Density Functional Theory (DFT), approximated to second order (ACKS2): it can now be defined with any underlying variational theory (next to KS-DFT) and it can include atomic multipoles and off-center basis functions. Parameters in this model are computed efficiently as expectation values of an electronic wavefunction, obviating the need for their calibration, regularization, and manual tuning. In the limit of a complete density and potential basis set in the ACKS2 model, the linear response properties of the underlying theory for a given molecular geometry are reproduced exactly. A numerical validation with a test set of 110 molecules shows that very accurate models can already be obtained with fluctuating charges and dipoles. These features greatly facilitate the development of polarizable force fields.

  3. Machine learning of accurate energy-conserving molecular force fields

    PubMed Central

    Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schütt, Kristof T.; Müller, Klaus-Robert

    2017-01-01

    Using conservation of energy—a fundamental property of closed classical and quantum mechanical systems—we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol−1 for energies and 1 kcal mol−1 Å̊−1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods. PMID:28508076

  4. Machine learning of accurate energy-conserving molecular force fields.

    PubMed

    Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E; Poltavsky, Igor; Schütt, Kristof T; Müller, Klaus-Robert

    2017-05-01

    Using conservation of energy-a fundamental property of closed classical and quantum mechanical systems-we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol(-1) for energies and 1 kcal mol(-1) Å̊(-1) for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.

  5. Accurate force spectroscopy in tapping mode atomic force microscopy in liquids

    NASA Astrophysics Data System (ADS)

    Xu, Xin; Melcher, John; Raman, Arvind

    2010-01-01

    Existing force spectroscopy methods in tapping mode atomic force microscopy (AFM) such as higher harmonic inversion [M. Stark, R. W. Stark, W. M. Heckl, and R. Guckenberger, Proc. Natl. Acad. Sci. U.S.A. 99, 8473 (2002)] or scanning probe acceleration microscopy [J. Legleiter, M. Park, B. Cusick, and T. Kowalewski, Proc. Natl. Acad. Sci. U.S.A. 103, 4813 (2006)] or integral relations [M. Lee and W. Jhe, Phys. Rev. Lett. 97, 036104 (2006); S. Hu and A. Raman, Nanotechnology 19, 375704 (2008); H. Hölscher, Appl. Phys. Lett. 89, 123109 (2006); A. J. Katan, Nanotechnology 20, 165703 (2009)] require and assume as an observable the tip dynamics in a single eigenmode of the oscillating microcantilever. We demonstrate that this assumption can distort significantly the extracted tip-sample interaction forces when applied to tapping mode AFM with soft cantilevers in liquid environments. This exception is due to the fact that under these conditions the second eigenmode is momentarily excited and the observed tip dynamics clearly contains contributions from the fundamental and second eigenmodes. To alleviate this problem, a simple experimental method is proposed to screen the second eigenmode contributions in the observed tip deflection signal to allow accurate tip-sample force reconstruction in liquids. The method is implemented experimentally to reconstruct interaction forces on polymer, bacteriorhodopsin membrane, and mica samples in buffer solutions.

  6. Macromolecular Entropy Can Be Accurately Computed from Force.

    PubMed

    Hensen, Ulf; Gräter, Frauke; Henchman, Richard H

    2014-11-11

    A method is presented to evaluate a molecule's entropy from the atomic forces calculated in a molecular dynamics simulation. Specifically, diagonalization of the mass-weighted force covariance matrix produces eigenvalues which in the harmonic approximation can be related to vibrational frequencies. The harmonic oscillator entropies of each vibrational mode may be summed to give the total entropy. The results for a series of hydrocarbons, dialanine and a β hairpin are found to agree much better with values derived from thermodynamic integration than results calculated using quasiharmonic analysis. Forces are found to follow a harmonic distribution more closely than coordinate displacements and better capture the underlying potential energy surface. The method's accuracy, simplicity, and computational similarity to quasiharmonic analysis, requiring as input force trajectories instead of coordinate trajectories, makes it readily applicable to a wide range of problems.

  7. Developing accurate molecular mechanics force fields for conjugated molecular systems.

    PubMed

    Do, Hainam; Troisi, Alessandro

    2015-10-14

    A rapid method to parameterize the intramolecular component of classical force fields for complex conjugated molecules is proposed. The method is based on a procedure of force matching with a reference electronic structure calculation. It is particularly suitable for those applications where molecular dynamics simulations are used to generate structures that are therefore analysed by electronic structure methods, because it is possible to build force fields that are consistent with electronic structure calculations that follow classical simulations. Such applications are commonly encountered in organic electronics, spectroscopy of complex systems and photobiology (e.g. photosynthetic systems). We illustrate the method by parameterizing the force fields of a molecule used in molecular semiconductors (2,2-dicyanovinyl-capped S,N-heteropentacene or DCV-SN5), a polymeric semiconductor (thieno[3,2-b]thiophene-diketopyrrolopyrrole TT-DPP) and a chromophore embedded in a protein environment (15,16-dihydrobiliverdin or DBV) where several hundreds of parameters need to be optimized in parallel.

  8. How accurate are accurate force-fields for B-DNA?

    PubMed Central

    Ivani, Ivan; Hospital, Adam; Portella, Guillem

    2017-01-01

    Abstract Last generation of force-fields are raising expectations on the quality of molecular dynamics (MD) simulations of DNA, as well as to the belief that theoretical models can substitute experimental ones in several cases. However these claims are based on limited benchmarks, where MD simulations have shown the ability to reproduce already existing ‘experimental models’, which in turn, have an unclear accuracy to represent DNA conformation in solution. In this work we explore the ability of different force-fields to predict the structure of two new B-DNA dodecamers, determined herein by means of 1H nuclear magnetic resonance (NMR). The study allowed us to check directly for experimental NMR observables on duplexes previously not solved, and also to assess the reliability of ‘experimental structures’. We observed that technical details in the annealing procedures can induce non-negligible local changes in the final structures. We also found that while not all theoretical simulations are equally reliable, those obtained using last generation of AMBER force-fields (BSC1 and BSC0OL15) show predictive power in the multi-microsecond timescale and can be safely used to reproduce global structure of DNA duplexes and fine sequence-dependent details. PMID:28088759

  9. Accurate Force Field Development for Modeling Conjugated Polymers.

    PubMed

    DuBay, Kateri H; Hall, Michelle Lynn; Hughes, Thomas F; Wu, Chuanjie; Reichman, David R; Friesner, Richard A

    2012-11-13

    The modeling of the conformational properties of conjugated polymers entails a unique challenge for classical force fields. Conjugation imposes strong constraints upon bond rotation. Planar configurations are favored, but the concomitantly shortened bond lengths result in moieties being brought into closer proximity than usual. The ensuing steric repulsions are particularly severe in the presence of side chains, straining angles, and stretching bonds to a degree infrequently found in nonconjugated systems. We herein demonstrate the resulting inaccuracies by comparing the LMP2-calculated inter-ring torsion potentials for a series of substituted stilbenes and bithiophenes to those calculated using standard classical force fields. We then implement adjustments to the OPLS-2005 force field in order to improve its ability to model such systems. Finally, we show the impact of these changes on the dihedral angle distributions, persistence lengths, and conjugation length distributions observed during molecular dynamics simulations of poly[2-methoxy-5-(2'-ethylhexyloxy)-p-phenylene vinylene] (MEH-PPV) and poly 3-hexylthiophene (P3HT), two of the most widely used conjugated polymers.

  10. Breaking Points in Quartic Maps

    NASA Astrophysics Data System (ADS)

    Romera, M.; Pastor, G.; Martin, A.; Orue, A. B.; Montoya, F.; Danca, M.-F.

    Dynamical systems, whether continuous or discrete, are used by physicists in order to study nonlinear phenomena. In the case of discrete dynamical systems, one of the most used is the quadratic map depending on a parameter. However, some phenomena can depend alternatively on two values of the same parameter. We use the quadratic map xn+1 = 1 - axn2 when the parameter alternates between two values during the iteration process. In this case, the orbit of the alternate system is the sum of the orbits of two quartic maps. The bifurcation diagrams of these maps present breaking points at which there is an abrupt change in their evolution.

  11. Accurate noncontact calibration of colloidal probe sensitivities in atomic force microscopy.

    PubMed

    Chung, Koo-Hyun; Shaw, Gordon A; Pratt, Jon R

    2009-06-01

    The absolute force sensitivities of colloidal probes comprised of atomic force microscope, or AFM, cantilevers with microspheres attached to their distal ends are measured. The force sensitivities are calibrated through reference to accurate electrostatic forces, the realizations of which are described in detail. Furthermore, the absolute accuracy of a common AFM force calibration scheme, known as the thermal noise method, is evaluated. It is demonstrated that the thermal noise method can be applied with great success to colloidal probe calibration in air and in liquid to yield force measurements with relative standard uncertainties below 5%. Techniques to combine the electrostatics-based determination of the AFM force sensitivity with measurements of the colloidal probe's thermal noise spectrum to compute noncontact estimates of the displacement sensitivity and spring constant are also developed.

  12. Accurate noncontact calibration of colloidal probe sensitivities in atomic force microscopy

    SciTech Connect

    Chung, Koo-Hyun; Shaw, Gordon A.; Pratt, Jon R.

    2009-06-15

    The absolute force sensitivities of colloidal probes comprised of atomic force microscope, or AFM, cantilevers with microspheres attached to their distal ends are measured. The force sensitivities are calibrated through reference to accurate electrostatic forces, the realizations of which are described in detail. Furthermore, the absolute accuracy of a common AFM force calibration scheme, known as the thermal noise method, is evaluated. It is demonstrated that the thermal noise method can be applied with great success to colloidal probe calibration in air and in liquid to yield force measurements with relative standard uncertainties below 5%. Techniques to combine the electrostatics-based determination of the AFM force sensitivity with measurements of the colloidal probe's thermal noise spectrum to compute noncontact estimates of the displacement sensitivity and spring constant are also developed.

  13. Accurate formula for conversion of tunneling current in dynamic atomic force spectroscopy

    NASA Astrophysics Data System (ADS)

    Sader, John E.; Sugimoto, Yoshiaki

    2010-07-01

    Recent developments in frequency modulation atomic force microscopy enable simultaneous measurement of frequency shift and time-averaged tunneling current. Determination of the interaction force is facilitated using an analytical formula, valid for arbitrary oscillation amplitudes [Sader and Jarvis, Appl. Phys. Lett. 84, 1801 (2004)]. Here we present the complementary formula for evaluation of the instantaneous tunneling current from the time-averaged tunneling current. This simple and accurate formula is valid for any oscillation amplitude and current law. The resulting theoretical framework allows for simultaneous measurement of the instantaneous tunneling current and interaction force in dynamic atomic force microscopy.

  14. Equifinality and its violations in a redundant system: multifinger accurate force production.

    PubMed

    Wilhelm, Luke; Zatsiorsky, Vladimir M; Latash, Mark L

    2013-10-01

    We explored a hypothesis that transient perturbations applied to a redundant system result in equifinality in the space of task-related performance variables but not in the space of elemental variables. The subjects pressed with four fingers and produced an accurate constant total force level. The "inverse piano" device was used to lift and lower one of the fingers smoothly. The subjects were instructed "not to intervene voluntarily" with possible force changes. Analysis was performed in spaces of finger forces and finger modes (hypothetical neural commands to fingers) as elemental variables. Lifting a finger led to an increase in its force and a decrease in the forces of the other three fingers; the total force increased. Lowering the finger back led to a drop in the force of the perturbed finger. At the final state, the sum of the variances of finger forces/modes computed across repetitive trials was significantly higher than the variance of the total force/mode. Most variance of the individual finger force/mode changes between the preperturbation and postperturbation states was compatible with constant total force. We conclude that a transient perturbation applied to a redundant system leads to relatively small variance in the task-related performance variable (equifinality), whereas in the space of elemental variables much more variance occurs that does not lead to total force changes. We interpret the results within a general theoretical scheme that incorporates the ideas of hierarchically organized control, control with referent configurations, synergic control, and the uncontrolled manifold hypothesis.

  15. Combined atomic force microscopy and voltage pulse technique to accurately measure electrostatic force

    NASA Astrophysics Data System (ADS)

    Inami, Eiichi; Sugimoto, Yoshiaki

    2016-08-01

    We propose a new method of extracting electrostatic force. The technique is based on frequency modulation atomic force microscopy (FM-AFM) combined with a voltage pulse. In this method, the work that the electrostatic field does on the oscillating tip is measured through the cantilever energy dissipation. This allows us to directly extract capacitive forces including the longer range part, to which the conventional FM-AFM is insensitive. The distance-dependent contact potential difference, which is modulated by local charges distributed on the surfaces of the tip and/or sample, could also be correctly obtained. In the absence of local charges, our method can perfectly reproduce the electrostatic force as a function of the distance and the bias voltage. Furthermore, we demonstrate that the system serves as a sensitive sensor enabling us to check the existence of the local charges such as trapped charges and patch charges.

  16. Are External Knee Load and EMG Measures Accurate Indicators of Internal Knee Contact Forces during Gait?

    PubMed Central

    Meyer, Andrew J.; D'Lima, Darryl D.; Besier, Thor F.; Lloyd, David G.; Colwell, Clifford W.; Fregly, Benjamin J.

    2013-01-01

    Mechanical loading is believed to be a critical factor in the development and treatment of knee osteoarthritis. However, the contact forces to which the knee articular surfaces are subjected during daily activities cannot be measured clinically. Thus, the ability to predict internal knee contact forces accurately using external measures (i.e., external knee loads and muscle EMG signals) would be clinically valuable. This study quantifies how well external knee load and EMG measures predict internal knee contact forces during gait. A single subject with a force-measuring tibial prosthesis and post-operative valgus alignment performed four gait patterns (normal, medial thrust, walking pole, and trunk sway) to induce a wide range of external and internal knee joint loads. Linear regression analyses were performed to assess how much of the variability in internal contact forces was accounted for by variability in the external measures. Though the different gait patterns successfully induced significant changes in the external and internal quantities, changes in external measures were generally weak indicators of changes in total, medial, and lateral contact force. Our results suggest that when total contact force may be changing, caution should be exercised when inferring changes in knee contact forces based on observed changes in external knee load and EMG measures. Advances in musculoskeletal modeling methods may be needed for accurate estimation of in vivo knee contact forces. PMID:23280647

  17. Accurate force fields and methods for modelling organic molecular crystals at finite temperatures.

    PubMed

    Nyman, Jonas; Pundyke, Orla Sheehan; Day, Graeme M

    2016-06-21

    We present an assessment of the performance of several force fields for modelling intermolecular interactions in organic molecular crystals using the X23 benchmark set. The performance of the force fields is compared to several popular dispersion corrected density functional methods. In addition, we present our implementation of lattice vibrational free energy calculations in the quasi-harmonic approximation, using several methods to account for phonon dispersion. This allows us to also benchmark the force fields' reproduction of finite temperature crystal structures. The results demonstrate that anisotropic atom-atom multipole-based force fields can be as accurate as several popular DFT-D methods, but have errors 2-3 times larger than the current best DFT-D methods. The largest error in the examined force fields is a systematic underestimation of the (absolute) lattice energy.

  18. Higher spins and open strings: Quartic interactions

    SciTech Connect

    Polyakov, Dimitri

    2011-02-15

    We analyze quartic gauge-invariant interactions of massless higher spin fields by using vertex operators constructed in our previous works and computing their 4-point amplitudes in superstring theory. The kinematic part of the quartic interactions of the higher spins is determined by the matter structure of their vertex operators; the nonlocality of the interactions is the consequence of the specific ghost structure of these operators. We compute explicitly the 4-point amplitude describing the complete gauge-invariant 1-1-3-3 quartic interaction (two massless spin 3 particles interacting with two photons) and comment on more general 1-1-s-s cases, particularly pointing out the structure of 1-1-5-5 coupling.

  19. Bi-quartic parametric polynomial minimal surfaces

    NASA Astrophysics Data System (ADS)

    Kassabov, O.; Vlachkova, K.

    2015-10-01

    Minimal surfaces with isothermal parameters admitting Bézier representation were studied by Cosín and Monterde. They showed that, up to an affine transformation, the Enneper surface is the only bi-cubic isothermal minimal surface. Here we study bi-quartic isothermal minimal surfaces and establish the general form of their generating functions in the Weierstrass representation formula. We apply an approach proposed by Ganchev to compute the normal curvature and show that, in contrast to the bi-cubic case, there is a variety of bi-quartic isothermal minimal surfaces. Based on the Bézier representation we establish some geometric properties of the bi-quartic harmonic surfaces. Numerical experiments are visualized and presented to illustrate and support our results.

  20. Equifinality and its violations in a redundant system: multifinger accurate force production

    PubMed Central

    Wilhelm, Luke; Zatsiorsky, Vladimir M.

    2013-01-01

    We explored a hypothesis that transient perturbations applied to a redundant system result in equifinality in the space of task-related performance variables but not in the space of elemental variables. The subjects pressed with four fingers and produced an accurate constant total force level. The “inverse piano” device was used to lift and lower one of the fingers smoothly. The subjects were instructed “not to intervene voluntarily” with possible force changes. Analysis was performed in spaces of finger forces and finger modes (hypothetical neural commands to fingers) as elemental variables. Lifting a finger led to an increase in its force and a decrease in the forces of the other three fingers; the total force increased. Lowering the finger back led to a drop in the force of the perturbed finger. At the final state, the sum of the variances of finger forces/modes computed across repetitive trials was significantly higher than the variance of the total force/mode. Most variance of the individual finger force/mode changes between the preperturbation and postperturbation states was compatible with constant total force. We conclude that a transient perturbation applied to a redundant system leads to relatively small variance in the task-related performance variable (equifinality), whereas in the space of elemental variables much more variance occurs that does not lead to total force changes. We interpret the results within a general theoretical scheme that incorporates the ideas of hierarchically organized control, control with referent configurations, synergic control, and the uncontrolled manifold hypothesis. PMID:23904497

  1. Quartic Poisson algebras and quartic associative algebras and realizations as deformed oscillator algebras

    SciTech Connect

    Marquette, Ian

    2013-07-15

    We introduce the most general quartic Poisson algebra generated by a second and a fourth order integral of motion of a 2D superintegrable classical system. We obtain the corresponding quartic (associative) algebra for the quantum analog, extend Daskaloyannis construction obtained in context of quadratic algebras, and also obtain the realizations as deformed oscillator algebras for this quartic algebra. We obtain the Casimir operator and discuss how these realizations allow to obtain the finite-dimensional unitary irreducible representations of quartic algebras and obtain algebraically the degenerate energy spectrum of superintegrable systems. We apply the construction and the formula obtained for the structure function on a superintegrable system related to type I Laguerre exceptional orthogonal polynomials introduced recently.

  2. Accurate, explicit formulae for higher harmonic force spectroscopy by frequency modulation-AFM.

    PubMed

    Kuchuk, Kfir; Sivan, Uri

    2015-01-01

    The nonlinear interaction between an AFM tip and a sample gives rise to oscillations of the cantilever at integral multiples (harmonics) of the fundamental resonance frequency. The higher order harmonics have long been recognized to hold invaluable information on short range interactions but their utilization has thus far been relatively limited due to theoretical and experimental complexities. In particular, existing approximations of the interaction force in terms of higher harmonic amplitudes generally require simultaneous measurements of multiple harmonics to achieve satisfactory accuracy. In the present letter we address the mathematical challenge and derive accurate, explicit formulae for both conservative and dissipative forces in terms of an arbitrary single harmonic. Additionally, we show that in frequency modulation-AFM (FM-AFM) each harmonic carries complete information on the force, obviating the need for multi-harmonic analysis. Finally, we show that higher harmonics may indeed be used to reconstruct short range forces more accurately than the fundamental harmonic when the oscillation amplitude is small compared with the interaction range.

  3. Extraction of accurate biomolecular parameters from single-molecule force spectroscopy experiments.

    PubMed

    Farrance, Oliver E; Paci, Emanuele; Radford, Sheena E; Brockwell, David J

    2015-02-24

    The atomic force microscope (AFM) is able to manipulate biomolecules and their complexes with exquisite force sensitivity and distance resolution. This capability, complemented by theoretical models, has greatly improved our understanding of the determinants of mechanical strength in proteins and revealed the diverse effects of directional forces on the energy landscape of biomolecules. In unbinding experiments, the interacting partners are usually immobilized on their respective substrates via extensible linkers. These linkers affect both the force and contour length (Lc) of the complex at rupture. Surprisingly, while the former effect is well understood, the latter is largely neglected, leading to incorrect estimations of Lc, a parameter that is often used as evidence for the detection of specific interactions and remodeling events and for the inference of interaction regions. To address this problem, a model that predicts contour length measurements from single-molecule forced-dissociation experiments is presented that considers attachment position on the AFM tip, geometric effects, and polymer dynamics of the linkers. Modeled data are compared with measured contour length distributions from several different experimental systems, revealing that current methods underestimate contour lengths. The model enables nonspecific interactions to be identified unequivocally, allows accurate determination of Lc, and, by comparing experimental and modeled distributions, enables partial unfolding events before rupture to be identified unequivocally.

  4. An analytic model for accurate spring constant calibration of rectangular atomic force microscope cantilevers

    PubMed Central

    Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang

    2015-01-01

    Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson’s ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers. PMID:26510769

  5. An analytic model for accurate spring constant calibration of rectangular atomic force microscope cantilevers

    NASA Astrophysics Data System (ADS)

    Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang

    2015-10-01

    Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson’s ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers.

  6. An analytic model for accurate spring constant calibration of rectangular atomic force microscope cantilevers.

    PubMed

    Li, Rui; Ye, Hongfei; Zhang, Weisheng; Ma, Guojun; Su, Yewang

    2015-10-29

    Spring constant calibration of the atomic force microscope (AFM) cantilever is of fundamental importance for quantifying the force between the AFM cantilever tip and the sample. The calibration within the framework of thin plate theory undoubtedly has a higher accuracy and broader scope than that within the well-established beam theory. However, thin plate theory-based accurate analytic determination of the constant has been perceived as an extremely difficult issue. In this paper, we implement the thin plate theory-based analytic modeling for the static behavior of rectangular AFM cantilevers, which reveals that the three-dimensional effect and Poisson effect play important roles in accurate determination of the spring constants. A quantitative scaling law is found that the normalized spring constant depends only on the Poisson's ratio, normalized dimension and normalized load coordinate. Both the literature and our refined finite element model validate the present results. The developed model is expected to serve as the benchmark for accurate calibration of rectangular AFM cantilevers.

  7. In Situ control and modification of the probe magnetization state for accurate magnetic force microscopy

    NASA Astrophysics Data System (ADS)

    Angeloni, Livia; Passeri, Daniele; Natali, Marco; Reggente, Melania; Anelli, Emanuele; Bettucci, Andrea; Mantovani, Diego; Rossi, Marco

    2017-08-01

    Electrostatic tip-sample interactions currently represent the main limitation to accurate quantitative analysis of magnetic force microscopy (MFM) data. Controlled magnetization MFM (CM-MFM) represents a smart solution to overcome this limitation as it allows one to identify electrostatic artifacts and to subtract them from standard MFM images, thus enabling the quantitative investigation of magnetic properties of materials at the nanometer scale. CM-MFM, however, requires not only the magnetization, but also the in situ accurate demagnetization of the MFM probe. In particular, the latter represents a crucial step for the complete removal of electrostatic artifacts. In this work, we describe two different methods to depolarize the MFM tip, based on the application of the coercive remanent magnetic field of the tip and on a damped alternating magnetic field, respectively. The two techniques are escribed and compared to emphasize their specific advantages and limitations.

  8. Techniques for determining propulsion system forces for accurate high speed vehicle drag measurements in flight

    NASA Technical Reports Server (NTRS)

    Arnaiz, H. H.

    1975-01-01

    As part of a NASA program to evaluate current methods of predicting the performance of large, supersonic airplanes, the drag of the XB-70 airplane was measured accurately in flight at Mach numbers from 0.75 to 2.5. This paper describes the techniques used to determine engine net thrust and the drag forces charged to the propulsion system that were required for the in-flight drag measurements. The accuracy of the measurements and the application of the measurement techniques to aircraft with different propulsion systems are discussed. Examples of results obtained for the XB-70 airplane are presented.

  9. Accurate formula for dissipative interaction in frequency modulation atomic force microscopy

    SciTech Connect

    Suzuki, Kazuhiro; Matsushige, Kazumi; Yamada, Hirofumi; Kobayashi, Kei; Labuda, Aleksander

    2014-12-08

    Much interest has recently focused on the viscosity of nano-confined liquids. Frequency modulation atomic force microscopy (FM-AFM) is a powerful technique that can detect variations in the conservative and dissipative forces between a nanometer-scale tip and a sample surface. We now present an accurate formula to convert the dissipation power of the cantilever measured during the experiment to damping of the tip-sample system. We demonstrated the conversion of the dissipation power versus tip-sample separation curve measured using a colloidal probe cantilever on a mica surface in water to the damping curve, which showed a good agreement with the theoretical curve. Moreover, we obtained the damping curve from the dissipation power curve measured on the hydration layers on the mica surface using a nanometer-scale tip, demonstrating that the formula allows us to quantitatively measure the viscosity of a nano-confined liquid using FM-AFM.

  10. Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields

    USGS Publications Warehouse

    Lee, M.W.; Meuwly, M.

    2013-01-01

    The evaluation of hydration free energies is a sensitive test to assess force fields used in atomistic simulations. We showed recently that the vibrational relaxation times, 1D- and 2D-infrared spectroscopies for CN(-) in water can be quantitatively described from molecular dynamics (MD) simulations with multipolar force fields and slightly enlarged van der Waals radii for the C- and N-atoms. To validate such an approach, the present work investigates the solvation free energy of cyanide in water using MD simulations with accurate multipolar electrostatics. It is found that larger van der Waals radii are indeed necessary to obtain results close to the experimental values when a multipolar force field is used. For CN(-), the van der Waals ranges refined in our previous work yield hydration free energy between -72.0 and -77.2 kcal mol(-1), which is in excellent agreement with the experimental data. In addition to the cyanide ion, we also study the hydroxide ion to show that the method used here is readily applicable to similar systems. Hydration free energies are found to sensitively depend on the intermolecular interactions, while bonded interactions are less important, as expected. We also investigate in the present work the possibility of applying the multipolar force field in scoring trajectories generated using computationally inexpensive methods, which should be useful in broader parametrization studies with reduced computational resources, as scoring is much faster than the generation of the trajectories.

  11. Accurate computation of surface stresses and forces with immersed boundary methods

    NASA Astrophysics Data System (ADS)

    Goza, Andres; Liska, Sebastian; Morley, Benjamin; Colonius, Tim

    2016-09-01

    Many immersed boundary methods solve for surface stresses that impose the velocity boundary conditions on an immersed body. These surface stresses may contain spurious oscillations that make them ill-suited for representing the physical surface stresses on the body. Moreover, these inaccurate stresses often lead to unphysical oscillations in the history of integrated surface forces such as the coefficient of lift. While the errors in the surface stresses and forces do not necessarily affect the convergence of the velocity field, it is desirable, especially in fluid-structure interaction problems, to obtain smooth and convergent stress distributions on the surface. To this end, we show that the equation for the surface stresses is an integral equation of the first kind whose ill-posedness is the source of spurious oscillations in the stresses. We also demonstrate that for sufficiently smooth delta functions, the oscillations may be filtered out to obtain physically accurate surface stresses. The filtering is applied as a post-processing procedure, so that the convergence of the velocity field is unaffected. We demonstrate the efficacy of the method by computing stresses and forces that converge to the physical stresses and forces for several test problems.

  12. Quartic Amplitudes for Minkowski Higher Spin

    NASA Astrophysics Data System (ADS)

    Bengtsson, Anders K. H.

    The old problem of finding general quartic interaction terms between fields of higher helicities on the light-front is discussed from the point of view of calculating the corresponding amplitudes directly from the cubic vertices using BCFW recursion. Amplitude based no-go results that has appeared in the literature are reviewed and discussed and it is pointed out how they may perhaps be circumvented.

  13. Accurate integral equation theory for the central force model of liquid water and ionic solutions

    NASA Astrophysics Data System (ADS)

    Ichiye, Toshiko; Haymet, A. D. J.

    1988-10-01

    The atom-atom pair correlation functions and thermodynamics of the central force model of water, introduced by Lemberg, Stillinger, and Rahman, have been calculated accurately by an integral equation method which incorporates two new developments. First, a rapid new scheme has been used to solve the Ornstein-Zernike equation. This scheme combines the renormalization methods of Allnatt, and Rossky and Friedman with an extension of the trigonometric basis-set solution of Labik and co-workers. Second, by adding approximate ``bridge'' functions to the hypernetted-chain (HNC) integral equation, we have obtained predictions for liquid water in which the hydrogen bond length and number are in good agreement with ``exact'' computer simulations of the same model force laws. In addition, for dilute ionic solutions, the ion-oxygen and ion-hydrogen coordination numbers display both the physically correct stoichiometry and good agreement with earlier simulations. These results represent a measurable improvement over both a previous HNC solution of the central force model and the ex-RISM integral equation solutions for the TIPS and other rigid molecule models of water.

  14. Assessing estimates of radiative forcing for solar geoengineering starts with accurate aerosol radiative properties

    NASA Astrophysics Data System (ADS)

    Dykema, J. A.; Keith, D.; Keutsch, F. N.

    2016-12-01

    The deliberate modification of Earth's albedo as a complement to mitigation in order to slow climate change brings with it a range of risks. A range of different approaches have been studied, including the injection of aerosol particles into the stratosphere to decrease solar energy input into the climate system. Key side effects from this approach include ozone loss and radiative heating. Both of these side effects may produce dynamical changes with further consequences for stratospheric and tropospheric climate. Studies of past volcanic eruptions suggest that sulfate aerosol injection may be capable of achieving a compensating radiative forcing of -1 W m-2 or more. It is also expected that such injection of sulfate aerosols will result in loss of stratospheric ozone and of significant infrared heating. The problems resulting from sulfate aerosols intended have motivated the investigation of alternative materials, including high refractive index solid materials. High refractive index materials have the potential to scatter more efficiently per unit mass, leading to a reduction in surface area for heterogeneous chemistry, and, depending on details of absorption, less radiative heating. Fundamentally, assessing these trade-offs requires accurate knowledge of the complex refractive index of materials being considered over the full range of wavelengths relevant to atmospheric radiative transfer, that is, from ultraviolet to far-infrared. Our survey of the relevant literature finds that such measurements are not available for all materials of interest at all wavelengths. We utilize a method developed in astrophysics to fill in spectral gaps, and find that some materials may heat the stratosphere substantially more than was found in previous work. Stratospheric heating can warm the tropical tropopause layer, increasing the flux of water vapor into the stratosphere, with further consequences for atmospheric composition and radiative forcing. We analyze this consequence

  15. ACCURATE SIMULATIONS OF BINARY BLACK HOLE MERGERS IN FORCE-FREE ELECTRODYNAMICS

    SciTech Connect

    Alic, Daniela; Moesta, Philipp; Rezzolla, Luciano; Jaramillo, Jose Luis; Zanotti, Olindo

    2012-07-20

    We provide additional information on our recent study of the electromagnetic emission produced during the inspiral and merger of supermassive black holes when these are immersed in a force-free plasma threaded by a uniform magnetic field. As anticipated in a recent letter, our results show that although a dual-jet structure is present, the associated luminosity is {approx}100 times smaller than the total one, which is predominantly quadrupolar. Here we discuss the details of our implementation of the equations in which the force-free condition is not implemented at a discrete level, but rather obtained via a damping scheme which drives the solution to satisfy the correct condition. We show that this is important for a correct and accurate description of the current sheets that can develop in the course of the simulation. We also study in greater detail the three-dimensional charge distribution produced as a consequence of the inspiral and show that during the inspiral it possesses a complex but ordered structure which traces the motion of the two black holes. Finally, we provide quantitative estimates of the scaling of the electromagnetic emission with frequency, with the diffused part having a dependence that is the same as the gravitational-wave one and that scales as L{sup non-coll}{sub EM} Almost-Equal-To {Omega}{sup 10/3-8/3}, while the collimated one scales as L{sup coll}{sub EM} Almost-Equal-To {Omega}{sup 5/3-6/3}, thus with a steeper dependence than previously estimated. We discuss the impact of these results on the potential detectability of dual jets from supermassive black holes and the steps necessary for more accurate estimates.

  16. Accurate force field for molybdenum by machine learning large materials data

    NASA Astrophysics Data System (ADS)

    Chen, Chi; Deng, Zhi; Tran, Richard; Tang, Hanmei; Chu, Iek-Heng; Ong, Shyue Ping

    2017-09-01

    In this work, we present a highly accurate spectral neighbor analysis potential (SNAP) model for molybdenum (Mo) developed through the rigorous application of machine learning techniques on large materials data sets. Despite Mo's importance as a structural metal, existing force fields for Mo based on the embedded atom and modified embedded atom methods do not provide satisfactory accuracy on many properties. We will show that by fitting to the energies, forces, and stress tensors of a large density functional theory (DFT)-computed dataset on a diverse set of Mo structures, a Mo SNAP model can be developed that achieves close to DFT accuracy in the prediction of a broad range of properties, including elastic constants, melting point, phonon spectra, surface energies, grain boundary energies, etc. We will outline a systematic model development process, which includes a rigorous approach to structural selection based on principal component analysis, as well as a differential evolution algorithm for optimizing the hyperparameters in the model fitting so that both the model error and the property prediction error can be simultaneously lowered. We expect that this newly developed Mo SNAP model will find broad applications in large and long-time scale simulations.

  17. Modeling of Non-Gravitational Forces for Precise and Accurate Orbit Determination

    NASA Astrophysics Data System (ADS)

    Hackel, Stefan; Gisinger, Christoph; Steigenberger, Peter; Balss, Ulrich; Montenbruck, Oliver; Eineder, Michael

    2014-05-01

    Remote sensing satellites support a broad range of scientific and commercial applications. The two radar imaging satellites TerraSAR-X and TanDEM-X provide spaceborne Synthetic Aperture Radar (SAR) and interferometric SAR data with a very high accuracy. The precise reconstruction of the satellite's trajectory is based on the Global Positioning System (GPS) measurements from a geodetic-grade dual-frequency Integrated Geodetic and Occultation Receiver (IGOR) onboard the spacecraft. The increasing demand for precise radar products relies on validation methods, which require precise and accurate orbit products. An analysis of the orbit quality by means of internal and external validation methods on long and short timescales shows systematics, which reflect deficits in the employed force models. Following the proper analysis of this deficits, possible solution strategies are highlighted in the presentation. The employed Reduced Dynamic Orbit Determination (RDOD) approach utilizes models for gravitational and non-gravitational forces. A detailed satellite macro model is introduced to describe the geometry and the optical surface properties of the satellite. Two major non-gravitational forces are the direct and the indirect Solar Radiation Pressure (SRP). The satellite TerraSAR-X flies on a dusk-dawn orbit with an altitude of approximately 510 km above ground. Due to this constellation, the Sun almost constantly illuminates the satellite, which causes strong across-track accelerations on the plane rectangular to the solar rays. The indirect effect of the solar radiation is called Earth Radiation Pressure (ERP). This force depends on the sunlight, which is reflected by the illuminated Earth surface (visible spectra) and the emission of the Earth body in the infrared spectra. Both components of ERP require Earth models to describe the optical properties of the Earth surface. Therefore, the influence of different Earth models on the orbit quality is assessed. The scope of

  18. The Rotational Spectrum and Anharmonic Force Field of Chlorine Dioxide, OClO

    NASA Technical Reports Server (NTRS)

    Muller, Holger S. P.; Sorensen, G.; Birk, Manfred; Friedl, Randy R.

    1997-01-01

    The ground state rotational and quartic centrifugal distortion constants, their vibrational changes, and the sextic centrifugal distortion constants were used in a calculation of the quartic force field together with data from infrared studies.

  19. The Rotational Spectrum and Anharmonic Force Field of Chlorine Dioxide, OClO

    NASA Technical Reports Server (NTRS)

    Muller, Holger S. P.; Sorensen, G.; Birk, Manfred; Friedl, Randy R.

    1997-01-01

    The ground state rotational and quartic centrifugal distortion constants, their vibrational changes, and the sextic centrifugal distortion constants were used in a calculation of the quartic force field together with data from infrared studies.

  20. The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations

    NASA Astrophysics Data System (ADS)

    Martin, Jan M. L.; Lee, Timothy J.; Taylor, Peter R.; François, Jean-Pierre

    1995-08-01

    The quartic force field of ethylene, C2H4, has been calculated ab initio using augmented coupled cluster, CCSD(T), methods and correlation consistent basis sets of spdf quality. For the 12C isotopomers C2H4, C2H3D, H2CCD2, cis-C2H2D2, trans-C2H2D2, C2HD3, and C2D4, all fundamentals are reproduced to better than 10 cm-1, except for three cases where the error is 11 cm-1. Our calculated harmonic frequencies suggest a thorough revision of the accepted experimentally derived values. Our computed and empirically corrected re geometry differs substantially from experimentally derived values: Both the predicted rz geometry and the ground-state rotational constants are, however, in excellent agreement with experiment, suggesting revision of the older values. Anharmonicity constants agree well with experiment for stretches, but differ substantially for stretch-bend interaction constants, due to equality constraints in the experimental analysis that do not hold. Improved criteria for detecting Fermi and Coriolis resonances are proposed and found to work well, contrary to the established method based on harmonic frequency differences that fails to detect several important resonances for C2H4 and its isotopomers. Surprisingly good results are obtained with a small spd basis at the CCSD(T) level. The well-documented strong basis set effect on the ν8 out-of-plane motion is present to a much lesser extent when correlation-optimized polarization functions are used. Complete sets of anharmonic, rovibrational coupling, and centrifugal distortion constants for the isotopomers are available as supplementary material to the paper via the World-Wide Web.

  1. Accurate halo-model matter power spectra with dark energy, massive neutrinos and modified gravitational forces

    NASA Astrophysics Data System (ADS)

    Mead, A. J.; Heymans, C.; Lombriser, L.; Peacock, J. A.; Steele, O. I.; Winther, H. A.

    2016-06-01

    We present an accurate non-linear matter power spectrum prediction scheme for a variety of extensions to the standard cosmological paradigm, which uses the tuned halo model previously developed in Mead et al. We consider dark energy models that are both minimally and non-minimally coupled, massive neutrinos and modified gravitational forces with chameleon and Vainshtein screening mechanisms. In all cases, we compare halo-model power spectra to measurements from high-resolution simulations. We show that the tuned halo-model method can predict the non-linear matter power spectrum measured from simulations of parametrized w(a) dark energy models at the few per cent level for k < 10 h Mpc-1, and we present theoretically motivated extensions to cover non-minimally coupled scalar fields, massive neutrinos and Vainshtein screened modified gravity models that result in few per cent accurate power spectra for k < 10 h Mpc-1. For chameleon screened models, we achieve only 10 per cent accuracy for the same range of scales. Finally, we use our halo model to investigate degeneracies between different extensions to the standard cosmological model, finding that the impact of baryonic feedback on the non-linear matter power spectrum can be considered independently of modified gravity or massive neutrino extensions. In contrast, considering the impact of modified gravity and massive neutrinos independently results in biased estimates of power at the level of 5 per cent at scales k > 0.5 h Mpc-1. An updated version of our publicly available HMCODE can be found at https://github.com/alexander-mead/hmcode.

  2. Solving Dym equation using quartic B-spline and quartic trigonometric B-spline collocation methods

    NASA Astrophysics Data System (ADS)

    Anuar, Hanis Safirah Saiful; Mafazi, Nur Hidayah; Hamid, Nur Nadiah Abd; Majid, Ahmad Abd.; Azmi, Amirah

    2017-08-01

    The nonlinear Dym equation is solved numerically using the quartic B-spline (QuBS) and quartic trigonometric B-spline (QuTBS) collocation methods. The QuBS and QuTBS are utilized as interpolating functions in the spatial dimension while the finite difference method (FDM) is applied to discretize the temporal space with the help of theta-weighted method. The nonlinear term in the Dym equation is linearized using Taylor's expansion. Two schemes are performed on both methods which are Crank-Nicolson and fully implicit. Applying the Von-Neumann stability analysis, these schemes are found to be conditionally stable. Several numerical examples of different forms are discussed and compared in term of errors with exact solutions and results from the FDM.

  3. Structural relationship between negative thermal expansion and quartic anharmonicity of cubic ScF3.

    PubMed

    Li, Chen W; Tang, Xiaoli; Muñoz, J A; Keith, J B; Tracy, S J; Abernathy, D L; Fultz, B

    2011-11-04

    Cubic scandium trifluoride (ScF3) has a large negative thermal expansion over a wide range of temperatures. Inelastic neutron scattering experiments were performed to study the temperature dependence of the lattice dynamics of ScF3 from 7 to 750 K. The measured phonon densities of states show a large anharmonic contribution with a thermal stiffening of modes around 25 meV. Phonon calculations with first-principles methods identified the individual modes in the densities of states, and frozen phonon calculations showed that some of the modes with motions of F atoms transverse to their bond direction behave as quantum quartic oscillators. The quartic potential originates from harmonic interatomic forces in the DO9 structure of ScF3, and accounts for phonon stiffening with the temperature and a significant part of the negative thermal expansion.

  4. Structural relationship between negative thermal expansion and quartic anharmonicity of cubic ScF3

    SciTech Connect

    Li, Chen W.; Tang, Xiaoli; Munoz, Jorge A.; Keith, J. Brian; Tracy, Sally J.; Abernathy, Douglas L; Fultz, B.

    2011-01-01

    Cubic scandium trifluoride (ScF{sub 3}) has a large negative thermal expansion over a wide range of temperatures. Inelastic neutron scattering experiments were performed to study the temperature dependence of the lattice dynamics of ScF{sub 3} from 7 to 750 K. The measured phonon densities of states show a large anharmonic contribution with a thermal stiffening of modes around 25 meV. Phonon calculations with first-principles methods identified the individual modes in the densities of states, and frozen phonon calculations showed that some of the modes with motions of F atoms transverse to their bond direction behave as quantum quartic oscillators. The quartic potential originates from harmonic interatomic forces in the DO{sub 9} structure of ScF{sub 3}, and accounts for phonon stiffening with the temperature and a significant part of the negative thermal expansion.

  5. Equilibrium and kinetics of DNA overstretching modeled with a quartic energy landscape.

    PubMed

    Argudo, David; Purohit, Prashant K

    2014-11-04

    It is well known that the dsDNA molecule undergoes a phase transition from B-DNA into an overstretched state at high forces. For some time, the structure of the overstretched state remained unknown and highly debated, but recent advances in experimental techniques have presented evidence of more than one possible phase (or even a mixed phase) depending on ionic conditions, temperature, and basepair sequence. Here, we present a theoretical model to study the overstretching transition with the possibility that the overstretched state is a mixture of two phases: a structure with portions of inner strand separation (melted or M-DNA), and an extended phase that retains the basepair structure (S-DNA). We model the double-stranded DNA as a chain composed of n segments of length l, where the transition is studied by means of a Landau quartic potential with statistical fluctuations. The length l is a measure of cooperativity of the transition and is key to characterizing the overstretched phase. By analyzing the different values of l corresponding to a wide spectrum of experiments, we find that for a range of temperatures and ionic conditions, the overstretched form is likely to be a mix of M-DNA and S-DNA. For a transition close to a pure S-DNA state, where the change in extension is close to 1.7 times the original B-DNA length, we find l ? 25 basepairs regardless of temperature and ionic concentration. Our model is fully analytical, yet it accurately reproduces the force-extension curves, as well as the transient kinetic behavior, seen in DNA overstretching experiments.

  6. The Anharmonic Force Field of Ethylene, C2H4, by Means of Accurate Ab Initio Calculations

    NASA Technical Reports Server (NTRS)

    Martin, Jan M. L.; Lee, Timothy J.; Taylor, Peter R.; Francois, Jean-Pierre; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    The quartic force field of ethylene, C2H4, has been calculated ab initio using augmented coupled cluster, CCSD(T), methods and correlation consistent basis sets of spdf quality. For the C-12 isotopomers C2H4, C2H3D, H2CCD2, cis-C2H2D2, trans-C2H2D2, C2HD3, and C2D4, all fundamentals could be reproduced to better than 10 per centimeter, except for three cases of severe Fermi type 1 resonance. The problem with these three bands is identified as a systematic overestimate of the Kiij Fermi resonance constants by a factor of two or more; if this is corrected for, the predicted fundamentals come into excellent agreement with experiment. No such systematic overestimate is seen for Fermi type 2 resonances. Our computed harmonic frequencies suggest a thorough revision of the accepted experimentally derived values. Our computed and empirically corrected re geometry differs substantially from experimentally derived values: both the predicted rz geometry and the ground-state rotational constants are, however, in excellent agreement with experiment, suggesting revision of the older values. Anharmonicity constants agree well with experiment for stretches, but differ substantially for stretch-bend interaction constants, due to equality constraints in the experimental analysis that do not hold. Improved criteria for detecting Fermi and Coriolis resonances are proposed and found to work well, contrary to the established method based on harmonic frequency differences that fails to detect several important resonances for C2H4 and its isotopomers. Surprisingly good results are obtained with a small spd basis at the CCSD(T) level. The well-documented strong basis set effect on the v8 out-of-plane motion is present to a much lesser extent when correlation-optimized polarization functions are used. Complete sets of anharmonic, rovibrational coupling, and centrifugal distortion constants for the isotopomers are available as supplementary material to the paper.

  7. Fast and accurate prediction for aerodynamic forces and moments acting on satellites flying in Low-Earth Orbit

    NASA Astrophysics Data System (ADS)

    Jin, Xuhon; Huang, Fei; Hu, Pengju; Cheng, Xiaoli

    2016-11-01

    A fundamental prerequisite for satellites operating in a Low Earth Orbit (LEO) is the availability of fast and accurate prediction of non-gravitational aerodynamic forces, which is characterised by the free molecular flow regime. However, conventional computational methods like the analytical integral method and direct simulation Monte Carlo (DSMC) technique are found failing to deal with flow shadowing and multiple reflections or computationally expensive. This work develops a general computer program for the accurate calculation of aerodynamic forces in the free molecular flow regime using the test particle Monte Carlo (TPMC) method, and non-gravitational aerodynamic forces actiong on the Gravity field and steady-state Ocean Circulation Explorer (GOCE) satellite is calculated for different freestream conditions and gas-surface interaction models by the computer program.

  8. SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES FOR l-C{sub 3}H{sup +} AND ISOTOPOLOGUES FROM HIGHLY ACCURATE QUARTIC FORCE FIELDS: THE DETECTION OF l-C{sub 3}H{sup +} IN THE HORSEHEAD NEBULA PDR QUESTIONED

    SciTech Connect

    Huang Xinchuan; Fortenberry, Ryan C.; Lee, Timothy J.

    2013-05-10

    Very recently, molecular rotational transitions observed in the photon-dominated region of the Horsehead nebula have been attributed to l-C{sub 3}H{sup +}. In an effort to corroborate this finding, we employed state-of-the-art and proven high-accuracy quantum chemical techniques to compute spectroscopic constants for this cation and its isotopologues. Even though the B rotational constant from the fit of the observed spectrum and our computations agree to within 20 MHz, a typical level of accuracy, the D rotational constant differs by more than 40%, while the H rotational constant differs by three orders of magnitude. With the likely errors in the rotational transition energies resulting from this difference in D on the order of 1 MHz for the lowest observed transition (J = 4 {yields} 3) and growing as J increases, the assignment of the observed rotational lines from the Horsehead nebula to l-C{sub 3}H{sup +} is questionable.

  9. Spectroscopic Constants and Vibrational Frequencies for l-C3H+ and Isotopologues from Highly-Accurate Quartic Force Fields: The Detection of l-C3H+ in the Horsehead Nebula PDR Questioned

    NASA Technical Reports Server (NTRS)

    Huang, Xinchuan; Fortenberry, Ryan Clifton; Lee, Timothy J.

    2013-01-01

    Very recently, molecular rotational transitions observed in the photon-dominated region of the Horsehead nebula have been attributed to l-C3H+. In an effort to corroborate this finding, we employed state-of-the art and proven high-accuracy quantum chemical techniques to compute spectroscopic constants for this cation and its isotopologues. Even though the B rotational constant from the fit of the observed spectrum and our computations agree to within 20 MHz, a typical level of accuracy, the D rotational constant differs by more than 40%, while the H rotational constant differs by three orders of magnitude. With the likely errors in the rotational transition energies resulting from this difference in D on the order of 1 MHz for the lowest observed transition (J = 4 yields 3) and growing as J increases, the assignment of the observed rotational lines from the Horsehead nebula to l-C3H+ is questionable.

  10. Accurate spring constant calibration for very stiff atomic force microscopy cantilevers

    SciTech Connect

    Grutzik, Scott J.; Zehnder, Alan T.; Gates, Richard S.; Gerbig, Yvonne B.; Smith, Douglas T.; Cook, Robert F.

    2013-11-15

    There are many atomic force microscopy (AFM) applications that rely on quantifying the force between the AFM cantilever tip and the sample. The AFM does not explicitly measure force, however, so in such cases knowledge of the cantilever stiffness is required. In most cases, the forces of interest are very small, thus compliant cantilevers are used. A number of methods have been developed that are well suited to measuring low stiffness values. However, in some cases a cantilever with much greater stiffness is required. Thus, a direct, traceable method for calibrating very stiff (approximately 200 N/m) cantilevers is presented here. The method uses an instrumented and calibrated nanoindenter to determine the stiffness of a reference cantilever. This reference cantilever is then used to measure the stiffness of a number of AFM test cantilevers. This method is shown to have much smaller uncertainty than previously proposed methods. An example application to fracture testing of nanoscale silicon beam specimens is included.

  11. Accurate spring constant calibration for very stiff atomic force microscopy cantilevers

    NASA Astrophysics Data System (ADS)

    Grutzik, Scott J.; Gates, Richard S.; Gerbig, Yvonne B.; Smith, Douglas T.; Cook, Robert F.; Zehnder, Alan T.

    2013-11-01

    There are many atomic force microscopy (AFM) applications that rely on quantifying the force between the AFM cantilever tip and the sample. The AFM does not explicitly measure force, however, so in such cases knowledge of the cantilever stiffness is required. In most cases, the forces of interest are very small, thus compliant cantilevers are used. A number of methods have been developed that are well suited to measuring low stiffness values. However, in some cases a cantilever with much greater stiffness is required. Thus, a direct, traceable method for calibrating very stiff (approximately 200 N/m) cantilevers is presented here. The method uses an instrumented and calibrated nanoindenter to determine the stiffness of a reference cantilever. This reference cantilever is then used to measure the stiffness of a number of AFM test cantilevers. This method is shown to have much smaller uncertainty than previously proposed methods. An example application to fracture testing of nanoscale silicon beam specimens is included.

  12. Accurate spring constant calibration for very stiff atomic force microscopy cantilevers.

    PubMed

    Grutzik, Scott J; Gates, Richard S; Gerbig, Yvonne B; Smith, Douglas T; Cook, Robert F; Zehnder, Alan T

    2013-11-01

    There are many atomic force microscopy (AFM) applications that rely on quantifying the force between the AFM cantilever tip and the sample. The AFM does not explicitly measure force, however, so in such cases knowledge of the cantilever stiffness is required. In most cases, the forces of interest are very small, thus compliant cantilevers are used. A number of methods have been developed that are well suited to measuring low stiffness values. However, in some cases a cantilever with much greater stiffness is required. Thus, a direct, traceable method for calibrating very stiff (approximately 200 N/m) cantilevers is presented here. The method uses an instrumented and calibrated nanoindenter to determine the stiffness of a reference cantilever. This reference cantilever is then used to measure the stiffness of a number of AFM test cantilevers. This method is shown to have much smaller uncertainty than previously proposed methods. An example application to fracture testing of nanoscale silicon beam specimens is included.

  13. An accurate elasto-plastic frictional tangential force displacement model for granular-flow simulations: Displacement-driven formulation

    NASA Astrophysics Data System (ADS)

    Zhang, Xiang; Vu-Quoc, Loc

    2007-07-01

    We present in this paper the displacement-driven version of a tangential force-displacement (TFD) model that accounts for both elastic and plastic deformations together with interfacial friction occurring in collisions of spherical particles. This elasto-plastic frictional TFD model, with its force-driven version presented in [L. Vu-Quoc, L. Lesburg, X. Zhang. An accurate tangential force-displacement model for granular-flow simulations: contacting spheres with plastic deformation, force-driven formulation, Journal of Computational Physics 196(1) (2004) 298-326], is consistent with the elasto-plastic frictional normal force-displacement (NFD) model presented in [L. Vu-Quoc, X. Zhang. An elasto-plastic contact force-displacement model in the normal direction: displacement-driven version, Proceedings of the Royal Society of London, Series A 455 (1991) 4013-4044]. Both the NFD model and the present TFD model are based on the concept of additive decomposition of the radius of contact area into an elastic part and a plastic part. The effect of permanent indentation after impact is represented by a correction to the radius of curvature. The effect of material softening due to plastic flow is represented by a correction to the elastic moduli. The proposed TFD model is accurate, and is validated against nonlinear finite element analyses involving plastic flows in both the loading and unloading conditions. The proposed consistent displacement-driven, elasto-plastic NFD and TFD models are designed for implementation in computer codes using the discrete-element method (DEM) for granular-flow simulations. The model is shown to be accurate and is validated against nonlinear elasto-plastic finite-element analysis.

  14. How accurately do current force fields predict experimental peptide conformations? An adiabatic free energy dynamics study.

    PubMed

    Tzanov, Alexandar T; Cuendet, Michel A; Tuckerman, Mark E

    2014-06-19

    The quality of classical biomolecular simulations is inevitably limited by two problems: the accuracy of the force field used and the comprehensiveness of configuration space sampling. In this work we tackle the sampling problem by carrying out driven adiabatic free energy dynamics to obtain converged free energy surfaces of dipeptides in the gas phase and in solution using selected dihedral angles as collective variables. To calculate populations of conformational macrostates observed in experiment, we introduce a fuzzy clustering algorithm in collective-variable space, which delineates macrostates without prior definition of arbitrary boundaries. With this approach, we calculate the conformational preferences of small peptides with six biomolecular force fields chosen from among the most recent and widely used. We assess the accuracy of each force field against recently published Raman or IR-UV spectroscopy measurements of conformer populations for the dipeptides in solution or in the gas phase.

  15. How accurately can the aerosol forcing be diagnosed using present day observations?

    NASA Astrophysics Data System (ADS)

    Gryspeerdt, Edward; Quaas, Johannes; Ferrachat, Sylvaine; Gettelman, Andrew; Ghan, Steven; Lohmann, Ulrike; Morrison, Hugh; Neubauer, David; Partridge, Daniel; Stier, Philip; Takemura, Toshihiko; Wang, Hailong; Wang, Minghuai; Zhang, Kai

    2017-04-01

    Much of the uncertainty in anthropogenic forcing of climate change comes from uncertainties in the radiative forcing due to aerosol-cloud interactions (RFaci). As aerosols serving as cloud condensation nuclei can have a strong influence on the cloud droplet number concentration (CDNC), previous studies have used the observed sensitivity of CDNC to aerosol properties as an emergent constraint on the strength of the RFaci. However, recent studies have suggested that this sensitivity in the present-day atmosphere is not the same as the sensitivity in the pre-industrial atmosphere, making it unsuitable for use as a constraint on the strength of the RFaci. In this study, we investigate a variety of methods and aerosol proxies in a selection of global aerosol-climate models to examine to what extent present-day aerosol-cloud relationships can be used to diagnose the RFaci. Using a simple linear sensitivity of the CDNC to aerosol perturbations, especially in clean regions, can result in large errors. However, we show that if suitable choices of aerosol proxy and spatial scale are made and if non-linearities in the sensitivity are accounted for, it is possible to diagnose the anthropogenic change in CDNC and so the RFaci using present day aerosol-cloud relationships and knowledge of the anthropogenic aerosol perturbation.

  16. Time-accurate simulations of a shear layer forced at a single frequency

    NASA Technical Reports Server (NTRS)

    Claus, R. W.; Huang, P. G.; Macinnes, J. M.

    1988-01-01

    Calculations are presented for the forced shear layer studied experimentally by Oster and Wygnanski, and Weisbrot. Two different computational approaches are examined: Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES). The DNS approach solves the full three dimensional Navier-Stokes equations for a temporally evolving mixing layer, while the LES approach solves the two dimensional Navier-Stokes equations with a subgrid scale turbulence model. While the comparison between these calculations and experimental data was hampered by a lack of information on the inflow boundary conditions, the calculations are shown to qualitatively agree with several aspects of the experiment. The sensitivity of these calculations to factors such as mesh refinement and Reynolds number is illustrated.

  17. Molecular Simulation of Carbon Dioxide Capture by Montmorillonite Using an Accurate and Flexible Force Field

    SciTech Connect

    Romanov, V N; Cygan, R T; Myshakin, E M

    2012-06-21

    Naturally occurring clay minerals provide a distinctive material for carbon capture and carbon dioxide sequestration. Swelling clay minerals, such as the smectite variety, possess an aluminosilicate structure that is controlled by low-charge layers that readily expand to accommodate water molecules and, potentially, CO2. Recent experimental studies have demonstrated the efficacy of intercalating CO2 in the interlayer of layered clays, but little is known about the molecular mechanisms of the process and the extent of carbon capture as a function of clay charge and structure. A series of molecular dynamics simulations and vibrational analyses have been completed to assess the molecular interactions associated with incorporation of CO2 and H2O in the interlayer of montmorillonite clay and to help validate the models with experimental observation. An accurate and fully flexible set of interatomic potentials for CO2 is developed and combined with Clayff potentials to help evaluate the intercalation mechanism and examine the effect of molecular flexibility onthe diffusion rate of CO2 in water.

  18. Symmetric point quartic gluon vertex and momentum subtraction

    NASA Astrophysics Data System (ADS)

    Gracey, J. A.

    2014-07-01

    We compute the full one loop correction to the quartic vertex of QCD at the fully symmetric point. This allows us to define a new momentum subtraction (MOM) scheme in the class of schemes introduced by Celmaster and Gonsalves. Hence using properties of the renormalization group equation, the two loop renormalization group functions for this scheme are given.

  19. Special-holonomy manifolds and quartic-curvature string corrections

    NASA Astrophysics Data System (ADS)

    Stelle, K. S.

    2004-06-01

    The quartic-curvature corrections derived from string theory have a very specific impact on the geometry of target-space manifolds of special holonomy. In the cases of Calabi-Yau manifolds and D = 7 manifolds of G2 holonomy, we show how the corrections conspire to preserve the unbroken supersymmetry of these backgrounds.

  20. High Fidelity Non-Gravitational Force Models for Precise and Accurate Orbit Determination of TerraSAR-X

    NASA Astrophysics Data System (ADS)

    Hackel, Stefan; Montenbruck, Oliver; Steigenberger, -Peter; Eineder, Michael; Gisinger, Christoph

    Remote sensing satellites support a broad range of scientific and commercial applications. The two radar imaging satellites TerraSAR-X and TanDEM-X provide spaceborne Synthetic Aperture Radar (SAR) and interferometric SAR data with a very high accuracy. The increasing demand for precise radar products relies on sophisticated validation methods, which require precise and accurate orbit products. Basically, the precise reconstruction of the satellite’s trajectory is based on the Global Positioning System (GPS) measurements from a geodetic-grade dual-frequency receiver onboard the spacecraft. The Reduced Dynamic Orbit Determination (RDOD) approach utilizes models for the gravitational and non-gravitational forces. Following a proper analysis of the orbit quality, systematics in the orbit products have been identified, which reflect deficits in the non-gravitational force models. A detailed satellite macro model is introduced to describe the geometry and the optical surface properties of the satellite. Two major non-gravitational forces are the direct and the indirect Solar Radiation Pressure (SRP). Due to the dusk-dawn orbit configuration of TerraSAR-X, the satellite is almost constantly illuminated by the Sun. Therefore, the direct SRP has an effect on the lateral stability of the determined orbit. The indirect effect of the solar radiation principally contributes to the Earth Radiation Pressure (ERP). The resulting force depends on the sunlight, which is reflected by the illuminated Earth surface in the visible, and the emission of the Earth body in the infrared spectra. Both components of ERP require Earth models to describe the optical properties of the Earth surface. Therefore, the influence of different Earth models on the orbit quality is assessed within the presentation. The presentation highlights the influence of non-gravitational force and satellite macro models on the orbit quality of TerraSAR-X.

  1. Measuring laser power as a force: a new paradigm to accurately monitor optical power during laser-based machining operations

    NASA Astrophysics Data System (ADS)

    Williams, Paul; Simonds, Brian; Sowards, Jeffrey; Hadler, Joshua

    2016-03-01

    In laser manufacturing operations, accurate measurement of laser power is important for product quality, operational repeatability, and process validation. Accurate real-time measurement of high-power lasers, however, is difficult. Typical thermal power meters must absorb all the laser power in order to measure it. This constrains power meters to be large, slow and exclusive (that is, the laser cannot be used for its intended purpose during the measurement). To address these limitations, we have developed a different paradigm in laser power measurement where the power is not measured according to its thermal equivalent but rather by measuring the laser beam's momentum (radiation pressure). Very simply, light reflecting from a mirror imparts a small force perpendicular to the mirror which is proportional to the optical power. By mounting a high-reflectivity mirror on a high-sensitivity force transducer (scale), we are able to measure laser power in the range of tens of watts up to ~ 100 kW. The critical parameters for such a device are mirror reflectivity, angle of incidence, and scale sensitivity and accuracy. We will describe our experimental characterization of a radiation-pressure-based optical power meter. We have tested it for modulated and CW laser powers up to 92 kW in the laboratory and up to 20 kW in an experimental laser welding booth. We will describe present accuracy, temporal response, sources of measurement uncertainty, and hurdles which must be overcome to have an accurate power meter capable of routine operation as a turning mirror within a laser delivery head.

  2. An accurate tangential force-displacement model for granular-flow simulations: Contacting spheres with plastic deformation, force-driven formulation

    NASA Astrophysics Data System (ADS)

    Vu-Quoc, L.; Lesburg, L.; Zhang, X.

    2004-05-01

    An elasto-plastic frictional tangential force-displacement (TFD) model for spheres in contact for accurate and efficient granular-flow simulations is presented in this paper; the present TFD is consistent with the elasto-plastic normal force-displacement (NFD) model presented in [ASME Journal of Applied Mechanics 67 (2) (2000) 363; Proceedings of the Royal Society of London, Series A 455 (1991) (1999) 4013]. The proposed elasto-plastic frictional TFD model is accurate, and is validated against non-linear finite-element analyses involving plastic flows under both loading and unloading conditions. The novelty of the present TFD model lies in (i) the additive decomposition of the elasto-plastic contact area radius into an elastic part and a plastic part, (ii) the correction of the particles' radii at the contact point, and (iii) the correction of the particles' elastic moduli. The correction of the contact-area radius represents an effect of plastic deformation in colliding particles; the correction of the radius of curvature represents a permanent indentation after impact; the correction of the elastic moduli represents a softening of the material due to plastic flow. The construction of both the present elasto-plastic frictional TFD model and its consistent companion, the elasto-plastic NFD model, parallels the formalism of the continuum theory of elasto-plasticity. Both NFD and TFD models form a coherent set of force-displacement (FD) models not available hitherto for granular-flow simulations, and are consistent with the Hertz, Cattaneo, Mindlin, Deresiewicz contact mechanics theory. Together, these FD models will allow for efficient simulations of granular flows (or granular gases) involving a large number of particles.

  3. High-order accurate finite-volume formulations for the pressure gradient force in layered ocean models

    NASA Astrophysics Data System (ADS)

    Engwirda, Darren; Kelley, Maxwell; Marshall, John

    2017-08-01

    Discretisation of the horizontal pressure gradient force in layered ocean models is a challenging task, with non-trivial interactions between the thermodynamics of the fluid and the geometry of the layers often leading to numerical difficulties. We present two new finite-volume schemes for the pressure gradient operator designed to address these issues. In each case, the horizontal acceleration is computed as an integration of the contact pressure force that acts along the perimeter of an associated momentum control-volume. A pair of new schemes are developed by exploring different control-volume geometries. Non-linearities in the underlying equation-of-state definitions and thermodynamic profiles are treated using a high-order accurate numerical integration framework, designed to preserve hydrostatic balance in a non-linear manner. Numerical experiments show that the new methods achieve high levels of consistency, maintaining hydrostatic and thermobaric equilibrium in the presence of strongly-sloping layer geometries, non-linear equations-of-state and non-uniform vertical stratification profiles. These results suggest that the new pressure gradient formulations may be appropriate for general circulation models that employ hybrid vertical coordinates and/or terrain-following representations.

  4. A resurgence analysis for cubic and quartic anharmonic potentials

    NASA Astrophysics Data System (ADS)

    Gahramanov, Ilmar; Tezgin, Kemal

    2017-02-01

    In this work, we explicitly show resurgence relations between perturbative and one instanton sectors of the resonance energy levels for cubic and quartic anharmonic potentials in one-dimensional quantum mechanics. Both systems satisfy the Dunne-Ünsal relation and hence we are able to derive one-instanton nonperturbative contributions with the fluctuation terms to the energy merely from the perturbative data. We confirm our results with previous results obtained in the literature.

  5. Two-parametric PT-symmetric quartic family

    NASA Astrophysics Data System (ADS)

    Eremenko, Alexandre; Gabrielov, Andrei

    2012-05-01

    We describe a parametrization of the real spectral locus of the two-parametric family of PT-symmetric quartic oscillators. For this family, we find a parameter region where all eigenvalues are real, extending the results of Dorey et al (2007 J. Phys. A: Math Theor. 40 R205-83) and Shin (2005 J. Phys. A: Math. Gen. 38 6147-66 2002 Commun. Math. Phys. 229 543-64).

  6. Giant vortices in combined harmonic and quartic traps

    SciTech Connect

    Aftalion, Amandine; Danaila, Ionut

    2004-03-01

    We consider a rotating Bose-Einstein condensate confined in combined harmonic and quartic traps, following recent experiments [V. Bretin, S. Stock, Y. Seurin, and J. Dalibard, Phys. Rev. Lett. 92, 050403 (2004)]. We investigate numerically the behavior of the wave function which solves the three-dimensional Gross Pitaevskii equation and analyze in detail the structure of vortices. For a quartic-plus-harmonic potential, as the angular velocity increases, the vortex lattice evolves into a vortex array with hole. The merging of vortices into the hole is highly three dimensional, starting from the top and bottom of the condensate to reach the center. We also investigate the case of a quartic-minus-harmonic potential, not covered by experiments or previous numerical works. For intermediate repulsive potentials, we show that the transition to a vortex array with hole takes place for lower angular velocities, when the lattice is made up of a small number of vortices. For the strong repulsive case, a transition from a giant vortex to a hole with a circle of vortices around is observed.

  7. Combinatorics associated with inflections and bitangents of plane quartics

    NASA Astrophysics Data System (ADS)

    Gizatullin, M. Kh

    2013-08-01

    After a preliminary survey and a description of some small Steiner systems from the standpoint of the theory of invariants of binary forms, we construct a binary Golay code (of length 24) using ideas from J. Grassmann's thesis of 1875. One of our tools is a pair of disjoint Fano planes. Another application of such pairs and properties of plane quartics is a construction of a new block design on 28 objects. This block design is a part of a dissection of the set of 288 Aronhold sevens. The dissection distributes the Aronhold sevens into 8 disjoint block designs of this type.

  8. Quartic Box-Spline Reconstruction on the BCC Lattice.

    PubMed

    Kim, Minho

    2013-02-01

    This paper presents an alternative box-spline filter for the body-centered cubic (BCC) lattice, the seven-direction quartic box-spline M7 that has the same approximation order as the eight-direction quintic box-spline M8 but a lower polynomial degree, smaller support, and is computationally more efficient. When applied to reconstruction with quasi-interpolation prefilters, M7 shows less aliasing, which is verified quantitatively by integral filter metrics and frequency error kernels. To visualize and analyze distributional aliasing characteristics, each spectrum is evaluated on the planes and lines with various orientations.

  9. Quartic propagators, negative norms, and the physical spectrum

    NASA Astrophysics Data System (ADS)

    Donoghue, John F.

    2017-08-01

    Many arguments against quartic propagators, negative norm states and related effects concern the sicknesses which occur when the spectrum of the free particle Hamiltonian is formed. However, if the theory is more complicated, for example involving confinement such that the particle in question does not appear in the physical spectrum, those considerations do not apply directly. Path integral methods suggest that some of these may be acceptable theories. I provide an example that should be able to be simulated on a lattice which then allows a nonperturbative resolution of this question. In its SU(2) version it involves a scalar triplet with a quartic derivative Lagrangian coupled to the SU(2) gauge field. If this is verified to be a healthy theory, it could open new avenues in model building. I also discuss how strong interactions can dynamically modify the dispersion relation leaving a healthy effective field theory, using conformal gravity coupled to a Yang-Mills theory as an example. Such a theory could possibly form a UV completion for quantum gravity.

  10. Quartic chameleons: Safely scale-free in the early Universe

    NASA Astrophysics Data System (ADS)

    Miller, Carisa; Erickcek, Adrienne L.

    2016-11-01

    In chameleon gravity, there exists a light scalar field that couples to the trace of the stress-energy tensor in such a way that its mass depends on the ambient matter density, and the field is screened in local, high-density environments. Recently it was shown that, for the runaway potentials commonly considered in chameleon theories, the field's coupling to matter and the hierarchy of scales between Standard Model particles and the energy scale of such potentials result in catastrophic effects in the early Universe when these particles become nonrelativistic. Perturbations with trans-Planckian energies are excited, and the theory suffers a breakdown in calculability at the relatively low temperatures of big bang nucleosynthesis. We consider a chameleon field in a quartic potential and show that the scale-free nature of this potential allows the chameleon to avoid many of the problems encountered by runaway potentials. Following inflation, the chameleon field oscillates around the minimum of its effective potential, and rapid changes in its effective mass excite perturbations via quantum particle production. The quartic model, however, only generates high-energy perturbations at comparably high temperatures and is able remain a well-behaved effective field theory at nucleosynthesis.

  11. Non-minimal quartic inflation in supersymmetric SO(10)

    NASA Astrophysics Data System (ADS)

    Leontaris, George K.; Okada, Nobuchika; Shafi, Qaisar

    2017-02-01

    We describe how quartic (λϕ4) inflation with non-minimal coupling to gravity is realized in realistic supersymmetric SO (10) models. In a well-motivated example the 16 - 16 ‾ Higgs multiplets, which break SO (10) to SU (5) and yield masses for the right-handed neutrinos, provide the inflaton field ϕ. Thus, leptogenesis is a natural outcome in this class of SO (10) models. Moreover, the adjoint (45-plet) Higgs also acquires a GUT scale value during inflation so that the monopole problem is evaded. The scalar spectral index ns is in good agreement with the observations and r, the tensor to scalar ratio, is predicted for realistic values of GUT parameters to be of order 10-3-10-2.

  12. Nonlocal quartic interactions and universality classes in perovskite manganites.

    PubMed

    Singh, Rohit; Dutta, Kishore; Nandy, Malay K

    2015-07-01

    A modified Ginzburg-Landau model with a screened nonlocal interaction in the quartic term is treated via Wilson's renormalization-group scheme at one-loop order to explore the critical behavior of the paramagnetic-to-ferromagnetic phase transition in perovskite manganites. We find the Fisher exponent η to be O(ε) and the correlation exponent to be ν=1/2+O(ε) through epsilon expansion in the parameter ε=d(c)-d, where d is the space dimension, d(c)=4+2σ is the upper critical dimension, and σ is a parameter coming from the nonlocal interaction in the model Hamiltonian. The ensuing critical exponents in three dimensions for different values of σ compare well with various existing experimental estimates for perovskite manganites with various doping levels. This suggests that the nonlocal model Hamiltonian contains a wide variety of such universality classes.

  13. Piecewise quartic polynomial curves with a local shape parameter

    NASA Astrophysics Data System (ADS)

    Han, Xuli

    2006-10-01

    Piecewise quartic polynomial curves with a local shape parameter are presented in this paper. The given blending function is an extension of the cubic uniform B-splines. The changes of a local shape parameter will only change two curve segments. With the increase of the value of a shape parameter, the curves approach a corresponding control point. The given curves possess satisfying shape-preserving properties. The given curve can also be used to interpolate locally the control points with GC2 continuity. Thus, the given curves unify the representation of the curves for interpolating and approximating the control polygon. As an application, the piecewise polynomial curves can intersect an ellipse at different knot values by choosing the value of the shape parameter. The given curve can approximate an ellipse from the both sides and can then yield a tight envelope for an ellipse. Some computing examples for curve design are given.

  14. Non-minimal quartic inflation in supersymmetric SO(10)

    DOE PAGES

    Leontaris, George K.; Okada, Nobuchika; Shafi, Qaisar

    2016-12-16

    Here, we describe how quartic (λφ4) inflation with non-minimal coupling to gravity is realized in realistic supersymmetric SO(10)models. In a well-motivated example the 16 -more » $$\\overline{16}$$ Higgs multiplets, which break SO(10) to SU(5) and yield masses for the right-handed neutrinos, provide the inflaton field φ. Thus, leptogenesis is a natural outcome in this class of SO(10) models. Moreover, the adjoint (45-plet) Higgs also acquires a GUT scale value during inflation so that the monopole problem is evaded. The scalar spectral index ns in good agreement with the observations and r, the tensor to scalar ratio, is predicted for realistic values of GUT parameters to be of order 10-3-10-2.« less

  15. Double scaling in tensor models with a quartic interaction

    NASA Astrophysics Data System (ADS)

    Dartois, Stéphane; Gurau, Razvan; Rivasseau, Vincent

    2013-09-01

    In this paper we identify and analyze in detail the subleading contributions in the 1 /N expansion of random tensors, in the simple case of a quartically interacting model. The leading order for this 1 /N expansion is made of graphs, called melons, which are dual to particular triangulations of the D-dimensional sphere, closely related to the "stacked" triangulations. For D < 6 the subleading behavior is governed by a larger family of graphs, hereafter called cherry trees, which are also dual to the D-dimensional sphere. They can be resummed explicitly through a double scaling limit. In sharp contrast with random matrix models, this double scaling limit is stable. Apart from its unexpected upper critical dimension 6, it displays a singularity at fixed distance from the origin and is clearly the first step in a richer set of yet to be discovered multi-scaling limits.

  16. Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene

    PubMed Central

    Abramyan, Tigran M.; Snyder, James A.; Yancey, Jeremy A.; Thyparambil, Aby A.; Wei, Yang; Stuart, Steven J.; Latour, Robert A.

    2015-01-01

    Interfacial force field (IFF) parameters for use with the CHARMM force field have been developed for interactions between peptides and high-density polyethylene (HDPE). Parameterization of the IFF was performed to achieve agreement between experimental and calculated adsorption free energies of small TGTG–X–GTGT host–guest peptides (T = threonine, G = glycine, and X = variable amino-acid residue) on HDPE, with ±0.5 kcal/mol agreement. This IFF parameter set consists of tuned nonbonded parameters (i.e., partial charges and Lennard–Jones parameters) for use with an in-house-modified CHARMM molecular dynamic program that enables the use of an independent set of force field parameters to control molecular behavior at a solid–liquid interface. The R correlation coefficient between the simulated and experimental peptide adsorption free energies increased from 0.00 for the standard CHARMM force field parameters to 0.88 for the tuned IFF parameters. Subsequent studies are planned to apply the tuned IFF parameter set for the simulation of protein adsorption behavior on an HDPE surface for comparison with experimental values of adsorbed protein orientation and conformation. PMID:25818122

  17. Reliable Spectroscopic Constants for CCH-, NH2- and Their Isotopomers from an Accurate Potential Energy Function

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Dateo, Christopher E.; Schwenke, David W.; Chaban, Galina M.

    2005-01-01

    Accurate quartic force fields have been determined for the CCH- and NH2- molecular anions using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). Very large one-particle basis sets have been used including diffuse functions and up through g-type functions. Correlation of the nitrogen and carbon core electrons has been included, as well as other "small" effects, such as the diagonal Born-Oppenheimer correction, and basis set extrapolation, and corrections for higher-order correlation effects and scalar relativistic effects. Fundamental vibrational frequencies have been computed using standard second-order perturbation theory as well as variational methods. Comparison with the available experimental data is presented and discussed. The implications of our research for the astronomical observation of molecular anions will be discussed.

  18. Reliable Spectroscopic Constants for CCH-, NH2- and Their Isotopomers from an Accurate Potential Energy Function

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Dateo, Christopher E.; Schwenke, David W.; Chaban, Galina M.

    2005-01-01

    Accurate quartic force fields have been determined for the CCH- and NH2- molecular anions using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). Very large one-particle basis sets have been used including diffuse functions and up through g-type functions. Correlation of the nitrogen and carbon core electrons has been included, as well as other "small" effects, such as the diagonal Born-Oppenheimer correction, and basis set extrapolation, and corrections for higher-order correlation effects and scalar relativistic effects. Fundamental vibrational frequencies have been computed using standard second-order perturbation theory as well as variational methods. Comparison with the available experimental data is presented and discussed. The implications of our research for the astronomical observation of molecular anions will be discussed.

  19. Accurate analytical measurements in the atomic force microscope: a microfabricated spring constant standard potentially traceable to the SI

    NASA Astrophysics Data System (ADS)

    Cumpson, Peter J.; Hedley, John

    2003-12-01

    Calibration of atomic force microscope (AFM) cantilevers is necessary for the measurement of nanonewton and piconewton forces, which are critical to analytical applications of AFM in the analysis of polymer surfaces, biological structures and organic molecules at nanoscale lateral resolution. We have developed a compact and easy-to-use reference artefact for this calibration, using a method that allows traceability to the SI (Système International). Traceability is crucial to ensure that force measurements by AFM are comparable to those made by optical tweezers and other methods. The new non-contact calibration method measures the spring constant of these artefacts, by a combination of electrical measurements and Doppler velocimetry. The device was fabricated by silicon surface micromachining. The device allows AFM cantilevers to be calibrated quite easily by the 'cantilever-on-reference' method, with our reference device having a spring constant uncertainty of around ± 5% at one standard deviation. A simple substitution of the analogue velocimeter used in this work with a digital model should reduce this uncertainty to around ± 2%. Both are significant improvements on current practice, and allow traceability to the SI for the first time at these nanonewton levels.

  20. Affine Equivalence of Quartic Monomial Rotation Symmetric Boolean Functions in Prime Power Dimension

    DTIC Science & Technology

    2015-01-27

    Affine Equivalence of Quartic Monomial Rotation Symmetric Boolean Functions in Prime Power Dimension Pantelimon Stănică Naval Postgraduate School...affine equiva- lence classes under permutations for quartic monomial rotation symmetric functions in prime and prime power dimensions. Keywords...Boolean functions, circulant matrices, affine equivalence, permutations, prime powers. Mathematics Subject Classification [2010]: 94A60, 94C10, 06E30 1

  1. CMB and BAO constraints for an induced gravity dark energy model with a quartic potential

    SciTech Connect

    Umiltà, C.; Ballardini, M.

    2015-08-01

    We study the predictions for structure formation in an induced gravity dark energy model with a quartic potential. By developing a dedicated Einstein-Boltzmann code, we study self-consistently the dynamics of homogeneous cosmology and of linear perturbations without using any parametrization. By evolving linear perturbations with initial conditions in the radiation era, we accurately recover the quasi-static analytic approximation in the matter dominated era. We use PLANCK 2013 data and a compilation of baryonic acoustic oscillation (BAO) data to constrain the coupling γ to the Ricci curvature and the other cosmological parameters. By connecting the gravitational constant in the Einstein equation to the one measured in a Cavendish-like experiment, we find γ < 0.0012 at 95% CL with PLANCK 2013 and BAO data. This is the tightest cosmological constraint on γ and on the corresponding derived post-Newtonian parameters. Because of a degeneracy between γ and the Hubble constant H{sub 0}, we show how larger values for γ are allowed, but not preferred at a significant statistical level, when local measurements of H{sub 0} are combined in the analysis with PLANCK 2013 data.

  2. Dynamic force matching: Construction of dynamic coarse-grained models with realistic short time dynamics and accurate long time dynamics

    NASA Astrophysics Data System (ADS)

    Davtyan, Aram; Voth, Gregory A.; Andersen, Hans C.

    2016-12-01

    We recently developed a dynamic force matching technique for converting a coarse-grained (CG) model of a molecular system, with a CG potential energy function, into a dynamic CG model with realistic dynamics [A. Davtyan et al., J. Chem. Phys. 142, 154104 (2015)]. This is done by supplementing the model with additional degrees of freedom, called "fictitious particles." In that paper, we tested the method on CG models in which each molecule is coarse-grained into one CG point particle, with very satisfactory results. When the method was applied to a CG model of methanol that has two CG point particles per molecule, the results were encouraging but clearly required improvement. In this paper, we introduce a new type (called type-3) of fictitious particle that exerts forces on the center of mass of two CG sites. A CG model constructed using type-3 fictitious particles (as well as type-2 particles previously used) gives a much more satisfactory dynamic model for liquid methanol. In particular, we were able to construct a CG model that has the same self-diffusion coefficient and the same rotational relaxation time as an all-atom model of liquid methanol. Type-3 particles and generalizations of it are likely to be useful in converting more complicated CG models into dynamic CG models.

  3. Dynamics of warm Chaplygin gas inflationary models with quartic potential

    NASA Astrophysics Data System (ADS)

    Jawad, Abdul; Butt, Sadaf; Rani, Shamaila

    2016-05-01

    Warm inflationary universe models in the context of the generalized Chaplygin gas, the modified Chaplygin gas, and the generalized cosmic Chaplygin gas are being studied. The dissipative coefficient of the form Γ ∝ T, and the weak and the strong dissipative regimes are being considered. We use the quartic potential, λ _{*}φ 4/4, which is ruled out by current data in cold inflation but in our models by analysis it is seen to be in agreement with the WMAP9 and the latest Planck data. In these scenarios, the power spectrum, the spectral index, and the tensor-to-scalar ratio are being examined in the slow-roll approximation. We show the dependence of the tensor-scalar ratio r on the spectral index ns and observe that the range of the tensor-scalar ratio is r<0.05 in the generalized Chaplygin gas, r<0.15 in the modified Chaplygin gas, and r<0.12 in the generalized cosmic Chaplygin gas models. Our results are in agreement with recent observational data like WMAP9 and the latest Planck data.

  4. Two-dimensional XXZ-Ising model with quartic interactions.

    PubMed

    Valverde, J S

    2012-05-01

    In this work we study a two-dimensional XXZ-Ising spin-1/2 model with quartic interactions. The model is composed of a two-dimensional lattice of edge-sharing unitary cells, where each cell consists of two triangular prisms, converging in a basal plane with four Ising spin-1/2 (open circles); the apical positions are also occupied by four Heisenberg spin-1/2 (solid circles). Interaction of the base plane containing the multispin Ising interaction has the parameter J_{4}, and the other pairwise interactions have parameter J. For the proposed model we construct the phase diagram at zero temperature and give all possible spin configurations. In addition, we investigate two regions where the model can be solved exactly, the free fermion condition (FFC) and the symmetrical eight-vertex condition (SEVC). For this purpose we perform a straightforward mapping for a zero-field eight-vertex model. The necessary conditions for the equivalence are analyzed for all ranges of the interaction parameters. Unfortunately, the present model does not satisfy the FFC unless the trivial case; however, it was possible to give a region where the model can be solved approximately. We study the SEVC and verify that this condition is always satisfied. We also explore and discuss the critical conditions giving the region where these critical points are relevant.

  5. Extension of the AMBER force field for nitroxide radicals and combined QM/MM/PCM approach to the accurate determination of EPR parameters of DMPOH in solution

    PubMed Central

    Hermosilla, Laura; Prampolini, Giacomo; Calle, Paloma; García de la Vega, José Manuel; Brancato, Giuseppe; Barone, Vincenzo

    2015-01-01

    A computational strategy that combines both time-dependent and time-independent approaches is exploited to accurately model molecular dynamics and solvent effects on the isotropic hyperfine coupling constants of the DMPO-H nitroxide. Our recent general force field for nitroxides derived from AMBER ff99SB is further extended to systems involving hydrogen atoms in β-positions with respect to NO. The resulting force-field has been employed in a series of classical molecular dynamics simulations, comparing the computed EPR parameters from selected molecular configurations to the corresponding experimental data in different solvents. The effect of vibrational averaging on the spectroscopic parameters is also taken into account, by second order vibrational perturbation theory involving semi-diagonal third energy derivatives together first and second property derivatives. PMID:26584116

  6. Accurate classical short-range forces for the study of collision cascades in Fe-Ni-Cr

    NASA Astrophysics Data System (ADS)

    Béland, Laurent Karim; Tamm, Artur; Mu, Sai; Samolyuk, German D.; Osetsky, Yuri N.; Aabloo, Alvo; Klintenberg, Mattias; Caro, Alfredo; Stoller, Roger E.

    2017-10-01

    The predictive power of a classical molecular dynamics simulation is largely determined by the physical validity of its underlying empirical potential. In the case of high-energy collision cascades, it was recently shown that correctly modeling interactions at short distances is necessary to accurately predict primary damage production. An ab initio based framework is introduced for modifying an existing embedded-atom method FeNiCr potential to handle these short-range interactions. Density functional theory is used to calculate the energetics of two atoms approaching each other, embedded in the alloy, and to calculate the equation of state of the alloy as it is compressed. The pairwise terms and the embedding terms of the potential are modified in accordance with the ab initio results. Using this reparametrized potential, collision cascades are performed in Ni50Fe50, Ni80Cr20 and Ni33Fe33Cr33. The simulations reveal that alloying Ni and NiCr to Fe reduces primary damage production, in agreement with some previous calculations. Alloying Ni and NiFe to Cr does not reduce primary damage production, in contradiction with previous calculations.

  7. Investigations into light-front interactions for massless fields (I): non-constructibility of higher spin quartic amplitudes

    NASA Astrophysics Data System (ADS)

    Bengtsson, Anders K. H.

    2016-12-01

    The dynamical commutators of the light-front Poincaré algebra yield first order differential equations in the p + momenta for the interaction vertex operators. The homogeneous solution to the equation for the quartic vertex is studied. Consequences as regards the constructibility assumption of quartic higher spin amplitudes from cubic amplitudes are discussed. The existence of quartic contact interactions unrelated to cubic interactions by Poincaré symmetry indicates that the higher spin S-matrix is not constructible. Thus quartic amplitude based no-go results derived by BCFW recursion for Minkowski higher spin massless fields may be circumvented.

  8. Extended Adaptive Biasing Force Algorithm. An On-the-Fly Implementation for Accurate Free-Energy Calculations.

    PubMed

    Fu, Haohao; Shao, Xueguang; Chipot, Christophe; Cai, Wensheng

    2016-08-09

    Proper use of the adaptive biasing force (ABF) algorithm in free-energy calculations needs certain prerequisites to be met, namely, that the Jacobian for the metric transformation and its first derivative be available and the coarse variables be independent and fully decoupled from any holonomic constraint or geometric restraint, thereby limiting singularly the field of application of the approach. The extended ABF (eABF) algorithm circumvents these intrinsic limitations by applying the time-dependent bias onto a fictitious particle coupled to the coarse variable of interest by means of a stiff spring. However, with the current implementation of eABF in the popular molecular dynamics engine NAMD, a trajectory-based post-treatment is necessary to derive the underlying free-energy change. Usually, such a posthoc analysis leads to a decrease in the reliability of the free-energy estimates due to the inevitable loss of information, as well as to a drop in efficiency, which stems from substantial read-write accesses to file systems. We have developed a user-friendly, on-the-fly code for performing eABF simulations within NAMD. In the present contribution, this code is probed in eight illustrative examples. The performance of the algorithm is compared with traditional ABF, on the one hand, and the original eABF implementation combined with a posthoc analysis, on the other hand. Our results indicate that the on-the-fly eABF algorithm (i) supplies the correct free-energy landscape in those critical cases where the coarse variables at play are coupled to either each other or to geometric restraints or holonomic constraints, (ii) greatly improves the reliability of the free-energy change, compared to the outcome of a posthoc analysis, and (iii) represents a negligible additional computational effort compared to regular ABF. Moreover, in the proposed implementation, guidelines for choosing two parameters of the eABF algorithm, namely the stiffness of the spring and the mass

  9. Analytic Derivatives of Quartic-Scaling Doubly Hybrid XYGJ-OS Functional: Theory, Implementation, and Benchmark Comparison with M06-2X and MP2 Geometries for Nonbonded Compelexes

    PubMed Central

    Ji, Hyunjun; Shao, Yihan; Goddard, William A.; Jung, Yousung

    2013-01-01

    Analytic first derivative expression of opposite-spin (OS) ansatz adapted quartic scaling doubly hybrid XYGJ-OS functional is derived and implemented into Q-Chem. The resulting algorithm scales quartically with system size as in OS-MP2 gradient, by utilizing the combination of Laplace transformation and density fitting technique. The performance of XYGJ-OS geometry optimization is assessed by comparing the bond lengths and the intermolecular properties in reference coupled cluster methods. For the selected nonbonded complexes in the S22 and S66 dataset used in the present benchmark test, it is shown that XYGJ-OS geometries are more accurate than M06-2X and RI-MP2, the two quantum chemical methods widely used to obtain accurate geometries for practical systems, and comparable to CCSD(T) geometries. PMID:23671408

  10. Force.

    ERIC Educational Resources Information Center

    Gamble, Reed

    1989-01-01

    Discusses pupil misconceptions concerning forces. Summarizes some of Assessment of Performance Unit's findings on meaning of (1) force, (2) force and motion in one dimension and two dimensions, and (3) Newton's second law. (YP)

  11. Force.

    ERIC Educational Resources Information Center

    Gamble, Reed

    1989-01-01

    Discusses pupil misconceptions concerning forces. Summarizes some of Assessment of Performance Unit's findings on meaning of (1) force, (2) force and motion in one dimension and two dimensions, and (3) Newton's second law. (YP)

  12. Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields

    NASA Astrophysics Data System (ADS)

    Steffen, Julien; Hartke, Bernd

    2017-10-01

    Building on the recently published quantum-mechanically derived force field (QMDFF) and its empirical valence bond extension, EVB-QMDFF, it is now possible to generate a reliable potential energy surface for any given elementary reaction step in an essentially black box manner. This requires a limited and pre-defined set of reference data near the reaction path and generates an accurate approximation of the reference potential energy surface, on and off the reaction path. This intermediate representation can be used to generate reaction rate data, with far better accuracy and reliability than with traditional approaches based on transition state theory (TST) or variational extensions thereof (VTST), even if those include sophisticated tunneling corrections. However, the additional expense at the reference level remains very modest. We demonstrate all this for three arbitrarily chosen example reactions.

  13. Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields.

    PubMed

    Steffen, Julien; Hartke, Bernd

    2017-10-28

    Building on the recently published quantum-mechanically derived force field (QMDFF) and its empirical valence bond extension, EVB-QMDFF, it is now possible to generate a reliable potential energy surface for any given elementary reaction step in an essentially black box manner. This requires a limited and pre-defined set of reference data near the reaction path and generates an accurate approximation of the reference potential energy surface, on and off the reaction path. This intermediate representation can be used to generate reaction rate data, with far better accuracy and reliability than with traditional approaches based on transition state theory (TST) or variational extensions thereof (VTST), even if those include sophisticated tunneling corrections. However, the additional expense at the reference level remains very modest. We demonstrate all this for three arbitrarily chosen example reactions.

  14. Performance of a worm algorithm in ϕ4 theory at finite quartic coupling

    NASA Astrophysics Data System (ADS)

    Korzec, Tomasz; Vierhaus, Ingmar; Wolff, Ulli

    2011-07-01

    Worm algorithms have been very successful with the simulation of sigma models with fixed length spins which result from scalar field theories in the limit of infinite quartic coupling λ. Here we investigate closer their algorithmic efficiency at finite and even vanishing λ for the one component model in dimensions D = 2 , 3 , 4.

  15. Ab Initio Calculation of Accurate Vibrational Frequencies for Molecules of Interest in Atmospheric Chemistry

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)

    1996-01-01

    Due to advances in quantum mechanical methods over the last few years, it is now possible to determine ab initio potential energy surfaces in which fundamental vibrational frequencies are accurate to within +/- 8 cm(sup -1) on average, and molecular bond distances are accurate to within +/- 0.001-0.003 A, depending on the nature of the bond. That is, the potential energy surfaces have not been scaled or empirically adjusted in any way, showing that theoretical methods have progressed to the point of being useful in analyzing spectra that are not from a tightly controlled laboratory environment, such as rovibrational spectra from the interstellar medium. Some recent examples demonstrating this accuracy win be presented and discussed. These include the HNO, CH4, C2H4, and ClCN molecules. The HNO molecule is interesting due to the very large H-N anharmonicity, while ClCN has a very large Fermi resonance. The ab initio studies for the CH4 and C2H4 molecules present the first accurate full quartic force fields of any kind (i.e., whether theoretical or empirical) for a five-atom and six-atom system, respectively.

  16. Ab Initio Potential Energy Surfaces and the Calculation of Accurate Vibrational Frequencies

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Dateo, Christopher E.; Martin, Jan M. L.; Taylor, Peter R.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Due to advances in quantum mechanical methods over the last few years, it is now possible to determine ab initio potential energy surfaces in which fundamental vibrational frequencies are accurate to within plus or minus 8 cm(exp -1) on average, and molecular bond distances are accurate to within plus or minus 0.001-0.003 Angstroms, depending on the nature of the bond. That is, the potential energy surfaces have not been scaled or empirically adjusted in any way, showing that theoretical methods have progressed to the point of being useful in analyzing spectra that are not from a tightly controlled laboratory environment, such as vibrational spectra from the interstellar medium. Some recent examples demonstrating this accuracy will be presented and discussed. These include the HNO, CH4, C2H4, and ClCN molecules. The HNO molecule is interesting due to the very large H-N anharmonicity, while ClCN has a very large Fermi resonance. The ab initio studies for the CH4 and C2H4 molecules present the first accurate full quartic force fields of any kind (i.e., whether theoretical or empirical) for a five-atom and six-atom system, respectively.

  17. Ab Initio Potential Energy Surfaces and the Calculation of Accurate Vibrational Frequencies

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Dateo, Christopher E.; Martin, Jan M. L.; Taylor, Peter R.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Due to advances in quantum mechanical methods over the last few years, it is now possible to determine ab initio potential energy surfaces in which fundamental vibrational frequencies are accurate to within plus or minus 8 cm(exp -1) on average, and molecular bond distances are accurate to within plus or minus 0.001-0.003 Angstroms, depending on the nature of the bond. That is, the potential energy surfaces have not been scaled or empirically adjusted in any way, showing that theoretical methods have progressed to the point of being useful in analyzing spectra that are not from a tightly controlled laboratory environment, such as vibrational spectra from the interstellar medium. Some recent examples demonstrating this accuracy will be presented and discussed. These include the HNO, CH4, C2H4, and ClCN molecules. The HNO molecule is interesting due to the very large H-N anharmonicity, while ClCN has a very large Fermi resonance. The ab initio studies for the CH4 and C2H4 molecules present the first accurate full quartic force fields of any kind (i.e., whether theoretical or empirical) for a five-atom and six-atom system, respectively.

  18. The assessment of the impact of aviation NOx on ozone and other radiative forcing responses - The importance of representing cruise altitudes accurately

    NASA Astrophysics Data System (ADS)

    Skowron, A.; Lee, D. S.; De León, R. R.

    2013-08-01

    Aviation emissions of NOx result in the formation of tropospheric ozone (warming) and destruction of a small amount of methane (cooling), positive and negative radiative forcing effects. In addition, the reduction of methane results in a small long-term reduction in tropospheric ozone (cooling) and, in addition, a long-term reduction in water vapour in the stratosphere (cooling) from reduced oxidation of methane, both negative radiative forcing impacts. Taking all these radiative effects together, aircraft NOx is still thought to result in a positive (warming) radiative effect under constant emissions assumptions. Previously, comparative modelling studies have focussed on the variability between models, using the same emissions database. In this study, we rather quantify the variability and uncertainty arising from different estimations of present-day aircraft NOx emissions. Six different aircraft NOx emissions inventories were used in the global chemical transport model, MOZART v3. The inventories were normalized to give the same global emission of NOx in order to remove one element of uncertainty. Emissions differed in the normalized cases by 23% at cruise altitudes (283-200 hPa, where the bulk of emission occurs, globally). However, the resultant short-term ozone chemical perturbation varied by 15% between the different inventories. Once all the effects that give rise to positive and negative radiative impacts were accounted for, the variability of net radiative forcing impacts was 94%. Using these radiative effects to formulate a net aviation NOx Global Warming Potential (GWP) for a 100-year time horizon resulted in GWPs ranging from 60 to 4, over an order of magnitude. It is concluded that the detailed placement of emissions at chemically sensitive cruise altitudes strongly affects the assessment of the total radiative impact, introducing a hitherto previously unidentified large fraction of the uncertainty of impacts between different modelling assessments. It

  19. Numerical Simulation of Natural Convection of a Nanofluid in an Inclined Heated Enclosure Using Two-Phase Lattice Boltzmann Method: Accurate Effects of Thermophoresis and Brownian Forces.

    PubMed

    Ahmed, Mahmoud; Eslamian, Morteza

    2015-12-01

    Laminar natural convection in differentially heated (β = 0°, where β is the inclination angle), inclined (β = 30° and 60°), and bottom-heated (β = 90°) square enclosures filled with a nanofluid is investigated, using a two-phase lattice Boltzmann simulation approach. The effects of the inclination angle on Nu number and convection heat transfer coefficient are studied. The effects of thermophoresis and Brownian forces which create a relative drift or slip velocity between the particles and the base fluid are included in the simulation. The effect of thermophoresis is considered using an accurate and quantitative formula proposed by the authors. Some of the existing results on natural convection are erroneous due to using wrong thermophoresis models or simply ignoring the effect. Here we show that thermophoresis has a considerable effect on heat transfer augmentation in laminar natural convection. Our non-homogenous modeling approach shows that heat transfer in nanofluids is a function of the inclination angle and Ra number. It also reveals some details of flow behavior which cannot be captured by single-phase models. The minimum heat transfer rate is associated with β = 90° (bottom-heated) and the maximum heat transfer rate occurs in an inclination angle which varies with the Ra number.

  20. Numerical Simulation of Natural Convection of a Nanofluid in an Inclined Heated Enclosure Using Two-Phase Lattice Boltzmann Method: Accurate Effects of Thermophoresis and Brownian Forces

    NASA Astrophysics Data System (ADS)

    Ahmed, Mahmoud; Eslamian, Morteza

    2015-07-01

    Laminar natural convection in differentially heated ( β = 0°, where β is the inclination angle), inclined ( β = 30° and 60°), and bottom-heated ( β = 90°) square enclosures filled with a nanofluid is investigated, using a two-phase lattice Boltzmann simulation approach. The effects of the inclination angle on Nu number and convection heat transfer coefficient are studied. The effects of thermophoresis and Brownian forces which create a relative drift or slip velocity between the particles and the base fluid are included in the simulation. The effect of thermophoresis is considered using an accurate and quantitative formula proposed by the authors. Some of the existing results on natural convection are erroneous due to using wrong thermophoresis models or simply ignoring the effect. Here we show that thermophoresis has a considerable effect on heat transfer augmentation in laminar natural convection. Our non-homogenous modeling approach shows that heat transfer in nanofluids is a function of the inclination angle and Ra number. It also reveals some details of flow behavior which cannot be captured by single-phase models. The minimum heat transfer rate is associated with β = 90° (bottom-heated) and the maximum heat transfer rate occurs in an inclination angle which varies with the Ra number.

  1. An accurate and efficient method for piezoelectric coated functional devices based on the two-dimensional Green’s function for a normal line force and line charge

    NASA Astrophysics Data System (ADS)

    Hou, Peng-Fei; Zhang, Yang

    2017-09-01

    Because most piezoelectric functional devices, including sensors, actuators and energy harvesters, are in the form of a piezoelectric coated structure, it is valuable to present an accurate and efficient method for obtaining the electro-mechanical coupling fields of this coated structure under mechanical and electrical loads. With this aim, the two-dimensional Green’s function for a normal line force and line charge on the surface of coated structure, which is a combination of an orthotropic piezoelectric coating and orthotropic elastic substrate, is presented in the form of elementary functions based on the general solution method. The corresponding electro-mechanical coupling fields of this coated structure under arbitrary mechanical and electrical loads can then be obtained by the superposition principle and Gauss integration. Numerical results show that the presented method has high computational precision, efficiency and stability. It can be used to design the best coating thickness in functional devices, improve the sensitivity of sensors, and improve the efficiency of actuators and energy harvesters. This method could be an efficient tool for engineers in engineering applications.

  2. Escape of an inertial Lévy flight particle from a truncated quartic potential well

    NASA Astrophysics Data System (ADS)

    Bai, Zhan-Wu; Hu, Meng

    2017-08-01

    Motivated by that the quartic potential can confined Lévy flights, we investigate the escape rate of an inertial Lévy particle from a truncated quartic potential well via Langevin simulation. The escape rate still depends on the noise intensity in a power-law form in low noise intensity, but the exponent and the inverse coefficient vary significantly for different Lévy indexes compared with previous works. Trimodal structure of the probability density function was found in simulations. The probability density function in a quasi-stable state exhibits transition among unimodal, bimodal, and trimodal structures. A metastable state by stable state approach is developed to calculate the escape rate analytically, which may be applied to extensive escape problems. The theoretical approach is confirmed by Langevin simulation for the Cauchy case of Lévy flight in the applied potential.

  3. NLO perturbativity bounds on quartic couplings in renormalizable theories with ϕ4-like scalar sectors

    NASA Astrophysics Data System (ADS)

    Murphy, Christopher W.

    2017-08-01

    The apparent breakdown of unitarity in low order perturbation theory is often is used to place bounds on the parameters of a theory. In this work we give an algorithm for approximately computing the next-to-leading order (NLO) perturbativity bounds on the quartic couplings of a renormalizable theory whose scalar sector is ϕ4-like. By this we mean theories where either there are no cubic scalar interactions, or the cubic couplings are related to the quartic couplings through spontaneous symmetry breaking. The quantity that tests where perturbation theory breaks down itself can be written as a perturbative series, and having the NLO terms allows one to test how well the series converges. We also present a simple example to illustrate the effect of considering these bounds at different orders in perturbation theory. For example, there is a noticeable difference in the viable parameter when the square of the NLO piece is included versus when it is not.

  4. Harmonic oscillator potential with a quartic anharmonicity in the prolate γ-rigid collective geometrical model

    NASA Astrophysics Data System (ADS)

    Budaca, Radu

    2015-12-01

    An analytical expression for the energy spectrum of the ground and β bands was obtained in the axially symmetric γ-rigid regime of the Bohr-Mottelson Hamiltonian with a general quartic anharmonic oscillator potential in the β shape variable. As the Schrodinger equation for such a potential is not exactly solvable, the energy formula is derived on the basis of the JWKB approximation. Due to the scaling property of the quartic oscillator problem, the resulting energy depends on a single parameter up to an overall multiplicative constant. The upper limit of the domain of values for the free parameter is established by comparing the ground state eigenvalues with the corresponding numerically calculated results. Studying the behavior of the potential and of the whole energy spectrum as function of the free parameter, one establishes the present model's place between other γ-rigid models. The agreement with experiment is achieved through model fits for few near-vibrational nuclei.

  5. Isospin quartic term in the kinetic energy of neutron-rich nucleonic matter

    NASA Astrophysics Data System (ADS)

    Cai, Bao-Jun; Li, Bao-An

    2015-07-01

    The energy of a free gas of neutrons and protons is well known to be approximately isospin parabolic with a negligibly small quartic term of only 0.45 MeV at the saturation density of nuclear matter ρ0=0.16 fm-3 . Using an isospin-dependent single-nucleon momentum distribution including a high (low) momentum tail (depletion) with its shape parameters constrained by recent high-energy electron scattering and medium-energy nuclear photodisintegration experiments as well as the state-of-the-art calculations of the deuteron wave function and the equation of state of pure neutron matter near the unitary limit within several modern microscopic many-body theories, we show for the first time that the kinetic energy of interacting nucleons in neutron-rich nucleonic matter has a significant quartic term of 7.18 ±2.52 MeV. Such a large quartic term has broad ramifications in determining the equation of state of neutron-rich nucleonic matter using observables of nuclear reactions and neutron stars.

  6. Scalar self-interactions loosen constraints from fifth force searches

    SciTech Connect

    Gubser, Steven S.; Khoury, Justin

    2004-11-15

    The mass of a scalar field mediating a fifth force is tightly constrained by experiments. We show, however, that adding a quartic self-interaction for such a scalar makes most tests much less constraining: the nonlinear equation of motion masks the coupling of the scalar to matter through the chameleon mechanism. We discuss consequences for fifth force experiments. In particular, we find that, with quartic coupling of order unity, a gravitational strength interaction with matter is allowed by current constraints. We show that our chameleon scalar field results in experimental signatures that could be detected through modest improvements of current laboratory set-ups.

  7. An analytical fit to an accurate ab initio ( 1A 1) potential surface of H 2O

    NASA Astrophysics Data System (ADS)

    Redmon, Michael J.; Schatz, George C.

    1981-01-01

    The accurate ab initio MBPT quartic force field of Bartlett, Shavitt and Purvis has been fit to an analytical function using a method developed by Sorbie and Murrell (SM). An analysis of this surface indicates that it describes most properties of the H 2O molecule very accurately, including an exact fit to the MBPT force field, and very close to the correct energy difference between linear and equilibrium H 2O. The surface also reproduces the correct diatomic potentials in all dissociative regions, but some aspects of it in the "near asymptotic" O( 1D) + H 2 region are not quantitatively described. For example, the potential seems to be too attractive at long range for O + H 2 encounters, although it does have the correct minimum energy path geometry and correctly exhibits no barrier to O atom insertion. Comparisons of this surface with one previously developed by SM indicates generally good agreement between the two, especially after some of the SM parameters were corrected, using a numerical differentiation algorithm to evaluate them. A surface developed by Schinke and Lester (SL) is more realistic than outs in the O( 1D) + H 2 regions, but less quantitative in its description of the H 2O molecule. Overall, the present fit appears to be both realistic and quantitative for energy displacements up to 3-4; eV from H 2O equilibrium, and should therefore be useful for spectroscopic and collision dynamics studies involving H 2O.

  8. The symmetric quartic map for trajectories of magnetic field lines in elongated divertor tokamak plasmas

    SciTech Connect

    Jones, Morgin; Wadi, Hasina; Ali, Halima; Punjabi, Alkesh

    2009-04-15

    The coordinates of the area-preserving map equations for integration of magnetic field line trajectories in divertor tokamaks can be any coordinates for which a transformation to ({psi}{sub t},{theta},{phi}) coordinates exists [A. Punjabi, H. Ali, T. Evans, and A. Boozer, Phys. Lett. A 364, 140 (2007)]. {psi}{sub t} is toroidal magnetic flux, {theta} is poloidal angle, and {phi} is toroidal angle. This freedom is exploited to construct the symmetric quartic map such that the only parameter that determines magnetic geometry is the elongation of the separatrix surface. The poloidal flux inside the separatrix, the safety factor as a function of normalized minor radius, and the magnetic perturbation from the symplectic discretization are all held constant, and only the elongation is {kappa} varied. The width of stochastic layer, the area, and the fractal dimension of the magnetic footprint and the average radial diffusion coefficient of magnetic field lines from the stochastic layer; and how these quantities scale with {kappa} is calculated. The symmetric quartic map gives the correct scalings which are consistent with the scalings of coordinates with {kappa}. The effects of m=1, n={+-}1 internal perturbation with the amplitude that is expected to occur in tokamaks are calculated by adding a term [H. Ali, A. Punjabi, A. H. Boozer, and T. Evans, Phys. Plasmas 11, 1908 (2004)] to the symmetric quartic map. In this case, the width of stochastic layer scales as 0.35 power of {kappa}. The area of the footprint is roughly constant. The average radial diffusion coefficient of field lines near the X-point scales linearly with {kappa}. The low mn perturbation changes the quasisymmetric structure of the footprint, and reorganizes it into a single, large scale, asymmetric structure. The symmetric quartic map is combined with the dipole map [A. Punjabi, H. Ali, and A. H. Boozer, Phys. Plasmas 10, 3992 (2003)] to calculate the effects of magnetic perturbation from a current

  9. Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations.

    PubMed

    Tadano, T; Gohda, Y; Tsuneyuki, S

    2014-06-04

    A systematic method to calculate anharmonic force constants of crystals is presented. The method employs the direct-method approach, where anharmonic force constants are extracted from the trajectory of first-principles molecular dynamics simulations at high temperature. The method is applied to Si where accurate cubic and quartic force constants are obtained. We observe that higher-order correction is crucial to obtain accurate force constants from the trajectory with large atomic displacements. The calculated harmonic and anharmonic force constants are, then, combined with the Boltzmann transport equation (BTE) and non-equilibrium molecular dynamics (NEMD) methods in calculating the thermal conductivity. The BTE approach successfully predicts the lattice thermal conductivity of bulk Si, whereas NEMD shows considerable underestimates. To evaluate the linear extrapolation method employed in NEMD to estimate bulk values, we analyze the size dependence in NEMD based on BTE calculations. We observe strong nonlinearity in the size dependence of NEMD in Si, which can be ascribed to acoustic phonons having long mean-free-paths and carrying considerable heat. Subsequently, we also apply the whole method to a thermoelectric material Mg2Si and demonstrate the reliability of the NEMD method for systems with low thermal conductivities.

  10. Alterations of musculoskeletal models for a more accurate estimation of lower limb joint contact forces during normal gait: A systematic review.

    PubMed

    Moissenet, F; Modenese, L; Dumas, R

    2017-09-01

    Musculoskeletal modelling is a methodology used to investigate joint contact forces during a movement. High accuracy in the estimation of the hip or knee joint contact forces can be obtained with subject-specific models. However, construction of subject-specific models remains time consuming and expensive. The purpose of this systematic review of the literature was to identify what alterations can be made on generic (i.e. literature-based, without any subject-specific measurement other than body size and weight) musculoskeletal models to obtain a better estimation of the joint contact forces. The impact of these alterations on the accuracy of the estimated joint contact forces were appraised. The systematic search yielded to 141 articles and 24 papers were included in the review. Different strategies of alterations were found: skeletal and joint model (e.g. number of degrees of freedom, knee alignment), muscle model (e.g. Hill-type muscle parameters, level of muscular redundancy), and optimisation problem (e.g. objective function, design variables, constraints). All these alterations had an impact on joint contact force accuracy, so demonstrating the potential for improving the model predictions without necessarily involving costly and time consuming medical images. However, due to discrepancies in the reported evidence about this impact and despite a high quality of the reviewed studies, it was not possible to highlight any trend defining which alteration had the largest impact. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Models with quartic potential of dynamical SUSY breaking in meta-stable vacua

    NASA Astrophysics Data System (ADS)

    Hirano, Shinji

    2007-05-01

    We search for models of dynamical SUSY breaking in meta-stable vacua which might have dual string descriptions with a few brane probes. Two models with quartic superpotential are proposed: One of them might be closely related to the dual gauge theory to the flavored Maldacena-Nuñez geometry by Casero, Nuñez, and Paredes with a few additional brane probes corresponding to massive flavors. The other model might be dual to the Klebanov-Strassler geometry with one fractional D3-brane and a few D7-branes as probes.

  12. Anomalous quartic and triple gauge couplings in {gamma}-induced processes at the LHC

    SciTech Connect

    Royon, Christophe; Chapon, Emilien

    2011-07-15

    We study the W/Z pair production via two-photon exchange at the LHC and give the sensitivities on trilinear and quartic gauge anomalous couplings between photons and W/Z bosons for an integrated luminosity of 30 and 200 fb{sup -1}. For simplicity and to obtain lower backgrounds, only the leptonic decays of the electroweak bosons are considered. The intact protons in the final states are detected in the ATLAS Forward Proton detectors. The high energy and luminosity of the LHC and the forward detectors allow to probe beyond standard model physics and to test the Higgsless and extra dimension models in an unprecedent way.

  13. Shifted one-parameter supersymmetric family of quartic asymmetric double-well potentials

    SciTech Connect

    Rosu, Haret C.; Mancas, Stefan C.; Chen, Pisin

    2014-10-15

    Extending our previous work (Rosu, 2014), we define supersymmetric partner potentials through a particular Riccati solution of the form F(x)=(x−c){sup 2}−1, where c is a real shift parameter, and work out the quartic double-well family of one-parameter isospectral potentials obtained by using the corresponding general Riccati solution. For these parametric double well potentials, we study how the localization properties of the two wells depend on the parameter of the potentials for various values of the shifting parameter. We also consider the supersymmetric parametric family of the first double-well potential in the Razavy chain of double well potentials corresponding to F(x)=1/2 sinh2x−2((1+√(2))sinh2x)/((1+√(2))cosh2x+1) , both unshifted and shifted, to test and compare the localization properties. - Highlights: • Quartic one-parameter DWs with an additional shift parameter are introduced. • Anomalous localization feature of their zero modes is confirmed at different shifts. • Razavy one-parameter DWs are also introduced and shown not to have this feature.

  14. NLO perturbativity bounds on quartic couplings in renormalizable theories with Φ4 -like scalar sectors

    DOE PAGES

    Murphy, Christopher W.

    2017-08-17

    The apparent breakdown of unitarity in low order perturbation theory is often is used to place bounds on the parameters of a theory. In this work we give an algorithm for approximately computing the next-to-leading order (NLO) perturbativity bounds on the quartic couplings of a renormalizable theory whose scalar sector is Φ 4 -like. And by this we mean theories where either there are no cubic scalar interactions, or the cubic couplings are related to the quartic couplings through spontaneous symmetry breaking. Furthermore, the quantity that tests where perturbation theory breaks down itself can be written as a perturbative series,more » and having the NLO terms allows one to test how well the series converges. We also present a simple example to illustrate the effect of considering these bounds at different orders in perturbation theory. For example, there is a noticeable difference in the viable parameter when the square of the NLO piece is included versus when it is not.« less

  15. Accurate determination of pyridine-poly(amidoamine) dendrimer absolute binding constants with the OPLS-AA force field and direct integration of radial distribution functions.

    PubMed

    Peng, Yong; Kaminski, George A

    2005-08-11

    OPLS-AA force field and direct integration of intermolecular radial distribution functions (RDF) were employed to calculate absolute binding constants of pyridine molecules to amino group (NH2) and amide group hydrogen atoms in and first generation poly(amidoamine) dendrimers in chloroform. The average errors in the absolute and relative association constants, as predicted with the calculations, are 14.1% and 10.8%, respectively, which translate into ca. 0.08 and 0.06 kcal/mol errors in the absolute and relative binding free energies. We believe that this level of accuracy proves the applicability of the OPLS-AA, force field, in combination with the direct RDF integration, to reproducing and predicting absolute intermolecular association constants of low magnitudes (ca. 0.2-2.0 range).

  16. Accurate Determination of Pyridine -- Poly (Amidoamine) Dendrimer Absolute Binding Constants with the OPLS-AA Force Field and Direct Integration of Radial Distribution Functions

    NASA Astrophysics Data System (ADS)

    Peng, Yong; Kaminski, George

    2006-03-01

    OPLS-AA force field and direct integration of intermolecular radial distribution functions (RDF) were employed to calculate absolute binding constants of pyridine molecules to NH2 and amide group hydrogen atoms in 0th and 1st generation poly (amidoamine) dendrimers in chloroform. The average errors in the absolute and relative association constants, as predicted with the calculations, are 14.1% and 10.8%, respectively, which translate into ca. 0.08 kcal/mol and 0.06 kcal/mol errors in the absolute and relative binding free energies. We believe that this level of accuracy proves the applicability of the OPLS-AA, force field, in combination with the direct RDF integration, to reproducing and predicting absolute intermolecular association constants of low magnitudes (ca. 0.2 -- 2.0 range).

  17. Chi(1) rotamer populations and angles of mobile surface side chains are accurately predicted by a torsion angle database potential of mean force.

    PubMed

    Clore, G Marius; Kuszewski, John

    2002-03-27

    The equilibrium angles and distributions of chi(1) rotamers for mobile surface side chains of the small, 63-residue, B1 domain of protein L have been calculated from the static crystal structure by rigid body/torsion angle simulated annealing using a torsion angle database potential of mean force and compared to those deduced by Monte Carlo analysis of side chain residual dipolar couplings measured in solution. Good agreement between theory and experiment is observed, indicating that for side chains undergoing rotamer averaging that is fast on the chemical shift time scale, the equilibrium angles and distribution of chi(1) rotamers are largely determined by the backbone phi/psi torsion angles.

  18. Historical Notes. A Madness in the Methods. Cubic and Quartic Equations: Are the General Solving Techniques Still Important?

    ERIC Educational Resources Information Center

    Francis, Richard L.

    1991-01-01

    Described is an outline for a school mathematics project dealing with the theory of equations, specifically solutions to polynomials of the third and of the fourth degree. Cardano's method for solution of cubic equations and Ferrari's method for solution of quartic equations are included with examples. (JJK)

  19. An Application of Multi-band Forced Photometry to One Square Degree of SERVS: Accurate Photometric Redshifts and Implications for Future Science

    NASA Astrophysics Data System (ADS)

    Nyland, Kristina; Lacy, Mark; Sajina, Anna; Pforr, Janine; Farrah, Duncan; Wilson, Gillian; Surace, Jason; Häußler, Boris; Vaccari, Mattia; Jarvis, Matt

    2017-05-01

    We apply The Tractor image modeling code to improve upon existing multi-band photometry for the Spitzer Extragalactic Representative Volume Survey (SERVS). SERVS consists of post-cryogenic Spitzer observations at 3.6 and 4.5 μm over five well-studied deep fields spanning 18 deg2. In concert with data from ground-based near-infrared (NIR) and optical surveys, SERVS aims to provide a census of the properties of massive galaxies out to z ≈ 5. To accomplish this, we are using The Tractor to perform “forced photometry.” This technique employs prior measurements of source positions and surface brightness profiles from a high-resolution fiducial band from the VISTA Deep Extragalactic Observations survey to model and fit the fluxes at lower-resolution bands. We discuss our implementation of The Tractor over a square-degree test region within the XMM Large Scale Structure field with deep imaging in 12 NIR/optical bands. Our new multi-band source catalogs offer a number of advantages over traditional position-matched catalogs, including (1) consistent source cross-identification between bands, (2) de-blending of sources that are clearly resolved in the fiducial band but blended in the lower resolution SERVS data, (3) a higher source detection fraction in each band, (4) a larger number of candidate galaxies in the redshift range 5 < z < 6, and (5) a statistically significant improvement in the photometric redshift accuracy as evidenced by the significant decrease in the fraction of outliers compared to spectroscopic redshifts. Thus, forced photometry using The Tractor offers a means of improving the accuracy of multi-band extragalactic surveys designed for galaxy evolution studies. We will extend our application of this technique to the full SERVS footprint in the future.

  20. Transition to the giant vortex state in a harmonic-plus-quartic trap

    SciTech Connect

    Fu, H.; Zaremba, E.

    2006-01-15

    We consider a rapidly rotating Bose-condensed gas in a harmonic-plus-quartic trap. At sufficiently high rotation rates, the condensate acquires an annular geometry with the superposition of a vortex lattice. With increasing rotation rate, the lattice evolves into a single ring of vortices. Of interest is the transition from this state to the giant vortex state in which the circulation is carried by only a central vortex. By analyzing the Gross-Pitaevskii energy functional variationally, we have been able to map out the phase boundary between these two states as a function of the rotation rate and the various trapped gas parameters. For strong interactions, the transition is first order. Our variational results are in good qualitative agreement with those obtained by means of a direct numerical solution of the Gross-Pitaevskii equation.

  1. Optimized Fock space in the large N limit of quartic interactions in matrix models

    NASA Astrophysics Data System (ADS)

    Hynek, Mariusz

    2016-05-01

    We consider the problem of quantization of the bosonic membrane via the large N limit of its matrix regularizations HN in Fock space. We prove that there exists a choice of the Fock space frequency such that HN can be written as a sum of a non-interacting Hamiltonian H0,N and the original normal ordered quartic potential. Using this decomposition we obtain upper and lower bounds for the ground state energy in the planar limit, we study a perturbative expansion about the spectrum of H0,N, and show that the spectral gap remains finite at N = ∞ at least up to the second order. We also apply the method to the U (N)-invariant anharmonic oscillator, and demonstrate that our bounds agree with the exact result of Brezin et al.

  2. Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis

    NASA Astrophysics Data System (ADS)

    Schäfer, Tobias; Ramberger, Benjamin; Kresse, Georg

    2017-03-01

    We present a low-complexity algorithm to calculate the correlation energy of periodic systems in second-order Møller-Plesset (MP2) perturbation theory. In contrast to previous approximation-free MP2 codes, our implementation possesses a quartic scaling, O ( N 4 ) , with respect to the system size N and offers an almost ideal parallelization efficiency. The general issue that the correlation energy converges slowly with the number of basis functions is eased by an internal basis set extrapolation. The key concept to reduce the scaling is to eliminate all summations over virtual orbitals which can be elegantly achieved in the Laplace transformed MP2 formulation using plane wave basis sets and fast Fourier transforms. Analogously, this approach could allow us to calculate second order screened exchange as well as particle-hole ladder diagrams with a similar low complexity. Hence, the presented method can be considered as a step towards systematically improved correlation energies.

  3. Strong correlation effects in a two-dimensional Bose gas with quartic dispersion

    NASA Astrophysics Data System (ADS)

    Radić, Juraj; Natu, Stefan S.; Galitski, Victor

    2015-06-01

    Motivated by the fundamental question of the fate of interacting bosons in flat bands, we consider a two-dimensional Bose gas at zero temperature with an underlying quartic single-particle dispersion in one spatial direction. This type of band structure can be realized using the NIST scheme of spin-orbit coupling [Y.-J. Lin, K. Jiménez-Garcia, and I. B. Spielman, Nature (London) 471, 83 (2011), 10.1038/nature09887], in the regime where the lower-band dispersion has the form ɛk˜kx4/4 +ky2+... , or using the shaken lattice scheme of Parker et al. [C. V. Parker, L.-C. Ha, and C. Chin, Nat. Phys. 9, 769 (2013), 10.1038/nphys2789]. We numerically compare the ground-state energies of the mean-field Bose-Einstein condensate (BEC) and various trial wave functions, where bosons avoid each other at short distances. We discover that, at low densities, several types of strongly correlated states have an energy per particle (ɛ ), which scales with density (n ) as ɛ ˜n4 /3 , in contrast to ɛ ˜n for the weakly interacting Bose gas. These competing states include a Wigner crystal, quasicondensates described in terms of properly symmetrized fermionic states, and variational wave functions of Jastrow type. We find that one of the latter has the lowest energy among the states we consider. This Jastrow-type state has a strongly reduced, but finite, condensate fraction, and true off-diagonal long-range order, which suggests that the ground state of interacting bosons with quartic dispersion is a strongly correlated condensate reminiscent of superfluid helium-4. Our results show that even for weakly interacting bosons in higher dimensions, one can explore the crossover from a weakly coupled BEC to a strongly correlated condensate by simply tuning the single-particle dispersion or density.

  4. On Asymptotic Regimes of Orthogonal Polynomials with Complex Varying Quartic Exponential Weight

    NASA Astrophysics Data System (ADS)

    Bertola, Marco; Tovbis, Alexander

    2016-12-01

    We study the asymptotics of recurrence coefficients for monic orthogonal polynomials π_n(z) with the quartic exponential weight exp [-N (1/2 z^2 + 1/4 t z^4)], where tin C and Nin{N}, Nto ∞. Our goal is to describe these asymptotic behaviors globally for tin C in different regions. We also describe the ''breaking'' curves separating these regions, and discuss their special (critical) points. All these pieces of information combined provide the global asymptotic ''phase portrait'' of the recurrence coefficients of π_n(z), which was studied numerically in [Constr. Approx. 41 (2015), 529-587, arXiv:1108.0321]. The main goal of the present paper is to provide a rigorous framework for the global asymptotic portrait through the nonlinear steepest descent analysis (with the g-function mechanism) of the corresponding Riemann-Hilbert problem (RHP) and the continuation in the parameter space principle. The latter allows to extend the nonlinear steepest descent analysis from some parts of the complex t-plane to all noncritical values of t. We also provide explicit solutions for recurrence coefficients in terms of the Riemann theta functions. The leading order behaviour of the recurrence coefficients in the full scaling neighbourhoods the critical points (double and triple scaling limits) was obtained in [Constr. Approx. 41 (2015), 529-587, arXiv:1108.0321] and [Asymptotics of complex orthogonal polynomials on the cross with varying quartic weight: critical point behaviour and the second Painlevé transcendents, in preparation].

  5. Hybrid Steered Molecular Dynamics Approach to Computing Absolute Binding Free Energy of Ligand-Protein Complexes: A Brute Force Approach That Is Fast and Accurate.

    PubMed

    Chen, Liao Y

    2015-04-14

    Computing the free energy of binding a ligand to a protein is a difficult task of essential importance for which purpose various theoretical/computational approaches have been pursued. In this paper, we develop a hybrid steered molecular dynamics (hSMD) method capable of resolving one ligand–protein complex within a few wall-clock days with high enough accuracy to compare with the experimental data. This hSMD approach is based on the relationship between the binding affinity and the potential of mean force (PMF) in the established literature. It involves simultaneously steering n (n = 1, 2, 3, ...) centers of mass of n selected segments of the ligand using n springs of infinite stiffness. Steering the ligand from a single initial state chosen from the bound state ensemble to the corresponding dissociated state, disallowing any fluctuations of the pulling centers along the way, one can determine a 3n-dimensional PMF curve connecting the two states by sampling a small number of forward and reverse pulling paths. This PMF constitutes a large but not the sole contribution to the binding free energy. Two other contributors are (1) the partial partition function containing the equilibrium fluctuations of the ligand at the binding site and the deviation of the initial state from the PMF minimum and (2) the partial partition function containing rotation and fluctuations of the ligand around one of the pulling centers that is fixed at a position far from the protein. We implement this hSMD approach for two ligand–protein complexes whose structures were determined and whose binding affinities were measured experimentally: caprylic acid binding to bovine β-lactoglobulin and glutathione binding to Schistosoma japonicum glutathione S-transferase tyrosine 7 to phenylalanine mutant. Our computed binding affinities agree with the experimental data within a factor of 1.5. The total time of computation for these two all-atom model systems (consisting of 96K and 114K atoms

  6. Application of a polynomial spline in higher-order accurate viscous-flow computations

    NASA Technical Reports Server (NTRS)

    Turner, M. G.; Keith, J. S.; Ghia, K. N.; Ghia, U.

    1982-01-01

    A quartic spline, S(4,2), is proposed which overcomes some of the difficulties associated with the use of splines S(5,3) and S(3,1) and provides fourth-order accurate results with relatively few grid points. The accuracy of spline S(4,2) is comparable to or better than that of the fourth-order box scheme and the compact differencing scheme. The use of spline S(4,2) is suggested as a possible way of obtaining fourth-order accurate solutions to Navier-Stokes equations.

  7. Do the gravitational corrections to the beta functions of the quartic and Yukawa couplings have an intrinsic physical meaning?

    NASA Astrophysics Data System (ADS)

    Gonzalez-Martin, S.; Martin, C. P.

    2017-10-01

    We study the beta functions of the quartic and Yukawa couplings of General Relativity and Unimodular Gravity coupled to the λϕ4 and Yukawa theories with masses. We show that the General Relativity corrections to those beta functions as obtained from the 1PI functional by using the standard MS multiplicative renormalization scheme of Dimensional Regularization are gauge dependent and, further, that they can be removed by a non-multiplicative, though local, field redefinition. An analogous analysis is carried out when General Relativity is replaced with Unimodular Gravity. Thus we show that any claim made about the change in the asymptotic behavior of the quartic and Yukawa couplings made by General Relativity and Unimodular Gravity lack intrinsic physical meaning.

  8. Measurement of W±W± vector-boson scattering and limits on anomalous quartic gauge couplings with the ATLAS detector

    DOE PAGES

    Aaboud, M.; Aad, G.; Abbott, B.; ...

    2017-07-28

    Tmore » his paper presents the extended results of measurements of W±W± j j production and limits on anomalous quartic gauge couplings using 20.3 fb-1 of proton–proton collision data at $$\\sqrt{s}$$ = 8 eV recorded by the ALAS detector at the Large Hadron Collider. Events with two leptons (e or μ) with the same electric charge and at least two jets are analyzed. Production cross sections are determined in two fiducial regions, with different sensitivities to the electroweak and strong production mechanisms. Lastly, an additional fiducial region, particularly sensitive to anomalous quartic gauge coupling parameters α4 and α5 , is introduced, which allows more stringent limits on these parameters compared to the previous ALAS measurement.« less

  9. Measurement of W±W± vector-boson scattering and limits on anomalous quartic gauge couplings with the ATLAS detector

    NASA Astrophysics Data System (ADS)

    Aaboud, M.; Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Abeloos, B.; Aben, R.; Abouzeid, O. S.; Abraham, N. L.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Agricola, J.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Ali, B.; Aliev, M.; Alimonti, G.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allen, B. W.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Alstaty, M.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amako, K.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antel, C.; Antonelli, M.; Antonov, A.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Armitage, L. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Baca, M. J.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Baines, J. T.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balestri, T.; Balli, F.; Balunas, W. K.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. 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M.; Semprini-Cesari, N.; Serfon, C.; Serin, L.; Serkin, L.; Sessa, M.; Seuster, R.; Severini, H.; Sfiligoj, T.; Sforza, F.; Sfyrla, A.; Shabalina, E.; Shaikh, N. W.; Shan, L. Y.; Shang, R.; Shank, J. T.; Shapiro, M.; Shatalov, P. B.; Shaw, K.; Shaw, S. M.; Shcherbakova, A.; Shehu, C. Y.; Sherwood, P.; Shi, L.; Shimizu, S.; Shimmin, C. O.; Shimojima, M.; Shiyakova, M.; Shmeleva, A.; Shoaleh Saadi, D.; Shochet, M. J.; Shojaii, S.; Shrestha, S.; Shulga, E.; Shupe, M. A.; Sicho, P.; Sickles, A. M.; Sidebo, P. E.; Sidiropoulou, O.; Sidorov, D.; Sidoti, A.; Siegert, F.; Sijacki, Dj.; Silva, J.; Silverstein, S. B.; Simak, V.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, D.; Simon, M.; Sinervo, P.; Sinev, N. B.; Sioli, M.; Siragusa, G.; Sivoklokov, S. Yu.; Sjölin, J.; Skinner, M. B.; Skottowe, H. P.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Slovak, R.; Smakhtin, V.; Smart, B. H.; Smestad, L.; Smiesko, J.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, M. N. K.; Smith, R. W.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Sokhrannyi, G.; Solans Sanchez, C. A.; Solar, M.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Son, H.; Song, H. Y.; Sood, A.; Sopczak, A.; Sopko, V.; Sorin, V.; Sosa, D.; Sotiropoulou, C. L.; Soualah, R.; Soukharev, A. M.; South, D.; Sowden, B. C.; Spagnolo, S.; Spalla, M.; Spangenberg, M.; Spanò, F.; Sperlich, D.; Spettel, F.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; St. Denis, R. D.; Stabile, A.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanek, R. W.; Stanescu, C.; Stanescu-Bellu, M.; Stanitzki, M. M.; Stapnes, S.; Starchenko, E. A.; Stark, G. H.; Stark, J.; Stark, S. H.; Staroba, P.; Starovoitov, P.; Stärz, S.; Staszewski, R.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stewart, G. A.; Stillings, J. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Suchek, S.; Sugaya, Y.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Susinno, G.; Sutton, M. R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Sykora, I.; Sykora, T.; Ta, D.; Taccini, C.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tan, K. G.; Tanaka, J.; Tanaka, M.; Tanaka, R.; Tanaka, S.; Tannenwald, B. B.; Tapia Araya, S.; Tapprogge, S.; Tarem, S.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, A. C.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teischinger, F. A.; Teixeira-Dias, P.; Temming, K. K.; Temple, D.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, E. N.; Thompson, P. D.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Thomson, M.; Tibbetts, M. J.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tipton, P.; Tisserant, S.; Todome, K.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, B.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Trofymov, A.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsui, K. M.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tu, Y.; Tudorache, A.; Tudorache, V.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turecek, D.; Turgeman, D.; Turra, R.; Turvey, A. J.; Tuts, P. M.; Tyndel, M.; Ucchielli, G.; Ueda, I.; Ughetto, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usanova, A.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valdes Santurio, E.; Valencic, N.; Valentinetti, S.; Valero, A.; Valery, L.; Valkar, S.; Valls Ferrer, J. A.; van den Wollenberg, W.; van der Deijl, P. C.; van der Graaf, H.; van Eldik, N.; van Gemmeren, P.; van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vankov, P.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vasquez, J. G.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veeraraghavan, V.; Veloce, L. M.; Veloso, F.; Veneziano, S.; Ventura, A.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigani, L.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vittori, C.; Vivarelli, I.; Vlachos, S.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; von der Schmitt, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Vykydal, Z.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wallangen, V.; Wang, C.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, T.; Wang, W.; Wang, X.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, M. D.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Whallon, N. L.; Wharton, A. M.; White, A.; White, M. J.; White, R.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilk, F.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winston, O. J.; Winter, B. T.; Wittgen, M.; Wittkowski, J.; Wolf, T. M. H.; Wolter, M. W.; Wolters, H.; Worm, S. D.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yang, Z.; Yao, W.-M.; Yap, Y. C.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yen, A. L.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yuen, S. P. Y.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zakharchuk, N.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zeng, J. C.; Zeng, Q.; Zengel, K.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, G.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, R.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, M.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; Zur Nedden, M.; Zwalinski, L.; Atlas Collaboration

    2017-07-01

    This paper presents the extended results of measurements of W±W±j j production and limits on anomalous quartic gauge couplings using 20.3 fb-1 of proton-proton collision data at √{s }=8 TeV recorded by the ATLAS detector at the Large Hadron Collider. Events with two leptons (e or μ ) with the same electric charge and at least two jets are analyzed. Production cross sections are determined in two fiducial regions, with different sensitivities to the electroweak and strong production mechanisms. An additional fiducial region, particularly sensitive to anomalous quartic gauge coupling parameters α4 and α5, is introduced, which allows more stringent limits on these parameters compared to the previous ATLAS measurement.

  10. On the Quartic Higher-Derivative Gravitational Terms in the Heterotic Superstring Theory

    NASA Astrophysics Data System (ADS)

    Pollock, M. D.

    The quartic higher-derivative gravitational terms hat { R}4 in the heterotic-superstring effective Lagrangian hat L, defined from the Riemann ten-tensor hat { R}ABCD, are expanded, after reduction to the conformally-flat physical D-space gij, in terms of the Ricci tensor Rij and scalar R. The resulting quadratic term { R}2 ≡ B(R2-Rij Rij) is tachyon-free and agrees exactly with the prediction from global supersymmetry in the nonlinear realization of Volkov and Akulov of the flat-space, quadratic fermionic Lagrangian { T}2 ≡ T2-Tij Tij for a massless Dirac or Weyl spinor, only when D = 4, assuming the Einstein equation Rij -(1)/(2) R gij ≈ κ 2Tij for the energy-momentum tensor. This proves that the heterotic superstring has to be reduced from ten to four dimensions if supersymmetry is to be correctly incorporated into the theory, and it rules out the bosonic string and type-II superstring, for which { R}2 has the different a priori forms ±(R2-4RijRij) derived from hat { R}2, which also contain tachyons (that seem to remain after the inclusion of a further contribution to { R}2 from hat { R}4). The curvature of space-time introduces a mass into the Dirac equation, |m| ˜ √ {|R|}, while quadratic, higher-derivative terms { R}2 make an additional contribution to the Einstein equations, these two effects causing a difference between { R}3 and { R}4 on the one hand, and the predictions from { T}3 and { T}4 on the other. The quartic terms { R}4 still possess some residual symmetry, however, enabling us to estimate the radius-squared of the internal six-dimensional space bar g{μ ν } in units of the Regge slope-parameter α‧ as Br ≈ 1.75, indicating that compactification occurs essentially at the Planck era, due to quantum mechanical processes, when the action evaluated within the causal horizon is Sh 1. This symmetry is also discussed with regard to the zero-action hypothesis. The dimensionality D = 4 of space-time is rederived from the Wheeler

  11. Generalized bottom-tau unification, neutrino oscillations and dark matter: Predictions from a lepton quarticity flavor approach

    NASA Astrophysics Data System (ADS)

    Centelles Chuliá, Salvador; Srivastava, Rahul; Valle, José W. F.

    2017-10-01

    We propose an A4 extension of the Standard Model with a Lepton Quarticity symmetry correlating dark matter stability with the Dirac nature of neutrinos. The flavor symmetry predicts (i) a generalized bottom-tau mass relation involving all families, (ii) small neutrino masses are induced a la seesaw, (iii) CP must be significantly violated in neutrino oscillations, (iv) the atmospheric angle θ23 lies in the second octant, and (v) only the normal neutrino mass ordering is realized.

  12. Three-loop NSVZ relation for terms quartic in the Yukawa couplings with the higher covariant derivative regularization

    NASA Astrophysics Data System (ADS)

    Shakhmanov, V. Yu.; Stepanyantz, K. V.

    2017-07-01

    We demonstrate that in non-Abelian N = 1 supersymmetric gauge theories the NSVZ relation is valid for terms quartic in the Yukawa couplings independently of the subtraction scheme if the renormalization group functions are defined in terms of the bare couplings and the theory is regularized by higher covariant derivatives. The terms quartic in the Yukawa couplings appear in the three-loop β-function and in the two-loop anomalous dimension of the matter superfields. We have obtained that the three-loop contribution to the β-function quartic in the Yukawa couplings is given by an integral of double total derivatives. Consequently, one of the loop integrals can be taken and the three-loop contribution to the β-function is reduced to the two-loop contribution to the anomalous dimension. The remaining loop integrals have been calculated for the simplest form of the higher derivative regularizing term. Then we construct the renormalization group functions defined in terms of the renormalized couplings. In the considered approximation they do not satisfy the NSVZ relation for a general renormalization prescription. However, we verify that the recently proposed boundary conditions defining the NSVZ scheme in the non-Abelian case really lead to the NSVZ relation between the terms of the considered structure.

  13. Quartic scaling analytical gradients of scaled opposite-spin CC2

    NASA Astrophysics Data System (ADS)

    Winter, Nina O. C.; Hättig, Christof

    2012-06-01

    An implementation of analytical gradients, transition moments and excited state properties for scaled opposite-spin (SOS) CC2 and a SOS variant of the algebraic diagrammatic construction through second order ADC(2) is presented. The time-determining fifth order scaling steps in the algorithms are replaced by schemes with only fourth order scaling computational costs using a "resolution of the identity" approximation for the electron repulsion integrals and a numerical Laplace transformation of the orbital energy denominators. This leads to a significant reduction of the computational costs for geometry optimizations of large systems. This work is an extension to the recently presented quartic scaling algorithm for SOS-CC2 energies for ground and excited states. The Laplace error for adiabatic electronic excitation energies and excited state structures is found to be very small. SOS-ADC(2) provides for adiabatic electronic excitation energies, excited state structure parameters, harmonic vibrational frequencies as well as dipole moments and transition strengths an accuracy similar to SOS-CC2. Timings for ground and excited state calculations are reported and applications to a chlorophyll molecule and a ditopic 2,2':6',2″-bis(terpyridine) with 160 atoms demonstrate how the new implementation extends the applicability of these methods for large systems.

  14. Gravitational-wave tail effects to quartic non-linear order

    NASA Astrophysics Data System (ADS)

    Marchand, Tanguy; Blanchet, Luc; Faye, Guillaume

    2016-12-01

    Gravitational-wave tails are due to the backscattering of linear waves onto the space-time curvature generated by the total mass of the matter source. The dominant tails correspond to quadratic non-linear interactions and arise at the one-and-a-half post-Newtonian (1.5 PN) order in the gravitational waveform. The ‘tails-of-tails’, which are cubic non-linear effects appearing at the 3 PN order in the waveform, are also known. We derive here higher non-linear tail effects, namely those associated with quartic non-linear interactions or ‘tails-of-tails-of-tails’, which are shown to arise at the 4.5 PN order. As an application, we obtain at that order the complete coefficient in the total gravitational-wave energy flux of compact binary systems moving on circular orbits. Our result perfectly agrees with black-hole perturbation calculations in the limit of extreme mass ratio of the two compact objects.

  15. Same Sign W+/-W+/- Production and Limits on Anomalous Quartic Gauge Couplings

    NASA Astrophysics Data System (ADS)

    Liu, Lulu

    2014-03-01

    The production of a pair of W bosons with the same electric charge is a process which has not been observed at the LHC. One of its dominant production mechanisms is through the vector boson scattering (VBS), whose unitarization relies on the electroweak symmetry breaking mechanism and makes VBS of great interest to study. This talk, together with the talk by Alex Sood, will present a measurement of the inclusive same sign W+/-W+/- cross section, as well as a further study of the production through VBS with the requirement that the two leading pT jets are separated by at least 2.4 in rapidity (Δy). Limits are set on the anomalous quartic gauge couplings (aQGC). The analysis is performed using 20 fb-1 of data collected by the ATLAS detector at √{ s} = 8 GeV. This talk will focus on the extraction of the cross section and the limits on aQGC.

  16. Quartic B-spline collocation method applied to Korteweg de Vries equation

    NASA Astrophysics Data System (ADS)

    Zin, Shazalina Mat; Majid, Ahmad Abd; Ismail, Ahmad Izani Md

    2014-07-01

    The Korteweg de Vries (KdV) equation is known as a mathematical model of shallow water waves. The general form of this equation is ut+ɛuux+μuxxx = 0 where u(x,t) describes the elongation of the wave at displacement x and time t. In this work, one-soliton solution for KdV equation has been obtained numerically using quartic B-spline collocation method for displacement x and using finite difference approach for time t. Two problems have been identified to be solved. Approximate solutions and errors for these two test problems were obtained for different values of t. In order to look into accuracy of the method, L2-norm and L∞-norm have been calculated. Mass, energy and momentum of KdV equation have also been calculated. The results obtained show the present method can approximate the solution very well, but as time increases, L2-norm and L∞-norm are also increase.

  17. Calculation of the safety factor and homoclinic tangles of the separatrix for the Symmetric Quartic Map

    NASA Astrophysics Data System (ADS)

    Baldwin, Danielle; Andrews, Bria; Ali, Halima; Punjabi, Alkesh

    2016-10-01

    The equilibrium generating function for the Symmetric Quartic Map (SQM) in natural canonical coordinates is constructed. The coefficients in the generating function are chosen to control the safety factor profile and to set the height and width of the equilibrium separatrix to be same as in the Simple Map. The equilibrium separatrix of the SQM is advanced forward and backward in canonical time using the SQM. When the forward and backward advanced separatrix manifolds meet in a fixed poloidal plane, they intersect and form homoclinic tangles to preserve the symplectic invariant. The map parameter of the SQM is used to include the effects of magnetic asymmetries. The safety factor profile and the homoclinic tangles of the separatrix of the SQM for different values of the map parameter will be presented. The separatrix of the simple map is open and unbounded; while the separatrix of the SQM is closed and compact. The purpose is to study what role the topology of the separatrix plays in the homoclinic tangle in single-null divertor tokamaks. This work is supported by Grants DE-FG02-01ER54624, DE-FG02-04ER54793, and DE-FG02-07ER54937.

  18. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: Sequential sampling and optimization on the potential of mean force surface

    SciTech Connect

    Hu Hao; Lu Zhenyu; Parks, Jerry M.; Burger, Steven K.; Yang Weitao

    2008-01-21

    To accurately determine the reaction path and its energetics for enzymatic and solution-phase reactions, we present a sequential sampling and optimization approach that greatly enhances the efficiency of the ab initio quantum mechanics/molecular mechanics minimum free-energy path (QM/MM-MFEP) method. In the QM/MM-MFEP method, the thermodynamics of a complex reaction system is described by the potential of mean force (PMF) surface of the quantum mechanical (QM) subsystem with a small number of degrees of freedom, somewhat like describing a reaction process in the gas phase. The main computational cost of the QM/MM-MFEP method comes from the statistical sampling of conformations of the molecular mechanical (MM) subsystem required for the calculation of the QM PMF and its gradient. In our new sequential sampling and optimization approach, we aim to reduce the amount of MM sampling while still retaining the accuracy of the results by first carrying out MM phase-space sampling and then optimizing the QM subsystem in the fixed-size ensemble of MM conformations. The resulting QM optimized structures are then used to obtain more accurate sampling of the MM subsystem. This process of sequential MM sampling and QM optimization is iterated until convergence. The use of a fixed-size, finite MM conformational ensemble enables the precise evaluation of the QM potential of mean force and its gradient within the ensemble, thus circumventing the challenges associated with statistical averaging and significantly speeding up the convergence of the optimization process. To further improve the accuracy of the QM/MM-MFEP method, the reaction path potential method developed by Lu and Yang [Z. Lu and W. Yang, J. Chem. Phys. 121, 89 (2004)] is employed to describe the QM/MM electrostatic interactions in an approximate yet accurate way with a computational cost that is comparable to classical MM simulations. The new method was successfully applied to two example reaction processes, the

  19. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: Sequential sampling and optimization on the potential of mean force surface

    NASA Astrophysics Data System (ADS)

    Hu, Hao; Lu, Zhenyu; Parks, Jerry M.; Burger, Steven K.; Yang, Weitao

    2008-01-01

    To accurately determine the reaction path and its energetics for enzymatic and solution-phase reactions, we present a sequential sampling and optimization approach that greatly enhances the efficiency of the ab initio quantum mechanics/molecular mechanics minimum free-energy path (QM/MM-MFEP) method. In the QM/MM-MFEP method, the thermodynamics of a complex reaction system is described by the potential of mean force (PMF) surface of the quantum mechanical (QM) subsystem with a small number of degrees of freedom, somewhat like describing a reaction process in the gas phase. The main computational cost of the QM/MM-MFEP method comes from the statistical sampling of conformations of the molecular mechanical (MM) subsystem required for the calculation of the QM PMF and its gradient. In our new sequential sampling and optimization approach, we aim to reduce the amount of MM sampling while still retaining the accuracy of the results by first carrying out MM phase-space sampling and then optimizing the QM subsystem in the fixed-size ensemble of MM conformations. The resulting QM optimized structures are then used to obtain more accurate sampling of the MM subsystem. This process of sequential MM sampling and QM optimization is iterated until convergence. The use of a fixed-size, finite MM conformational ensemble enables the precise evaluation of the QM potential of mean force and its gradient within the ensemble, thus circumventing the challenges associated with statistical averaging and significantly speeding up the convergence of the optimization process. To further improve the accuracy of the QM/MM-MFEP method, the reaction path potential method developed by Lu and Yang [Z. Lu and W. Yang, J. Chem. Phys. 121, 89 (2004)] is employed to describe the QM/MM electrostatic interactions in an approximate yet accurate way with a computational cost that is comparable to classical MM simulations. The new method was successfully applied to two example reaction processes, the

  20. Accurate equilibrium structures for piperidine and cyclohexane.

    PubMed

    Demaison, Jean; Craig, Norman C; Groner, Peter; Écija, Patricia; Cocinero, Emilio J; Lesarri, Alberto; Rudolph, Heinz Dieter

    2015-03-05

    Extended and improved microwave (MW) measurements are reported for the isotopologues of piperidine. New ground state (GS) rotational constants are fitted to MW transitions with quartic centrifugal distortion constants taken from ab initio calculations. Predicate values for the geometric parameters of piperidine and cyclohexane are found from a high level of ab initio theory including adjustments for basis set dependence and for correlation of the core electrons. Equilibrium rotational constants are obtained from GS rotational constants corrected for vibration-rotation interactions and electronic contributions. Equilibrium structures for piperidine and cyclohexane are fitted by the mixed estimation method. In this method, structural parameters are fitted concurrently to predicate parameters (with appropriate uncertainties) and moments of inertia (with uncertainties). The new structures are regarded as being accurate to 0.001 Å and 0.2°. Comparisons are made between bond parameters in equatorial piperidine and cyclohexane. Another interesting result of this study is that a structure determination is an effective way to check the accuracy of the ground state experimental rotational constants.

  1. The quartic piecewise-linear criterion for the multiaxial yield behavior of human trabecular bone.

    PubMed

    Sanyal, Arnav; Scheffelin, Joanna; Keaveny, Tony M

    2015-01-01

    Prior multiaxial strength studies on trabecular bone have either not addressed large variations in bone volume fraction and microarchitecture, or have not addressed the full range of multiaxial stress states. Addressing these limitations, we utilized micro-computed tomography (lCT) based nonlinear finite element analysis to investigate the complete 3D multiaxial failure behavior of ten specimens (5mm cube) of human trabecular bone, taken from three anatomic sites and spanning a wide range of bone volume fraction (0.09–0.36),mechanical anisotropy (range of E3/E1¼3.0–12.0), and microarchitecture. We found that most of the observed variation in multiaxial strength behavior could be accounted for by normalizing the multiaxial strength by specimen-specific values of uniaxial strength (tension,compression in the longitudinal and transverse directions). Scatter between specimens was reduced further when the normalized multiaxial strength was described in strain space.The resulting multiaxial failure envelope in this normalized-strain space had a rectangular boxlike shape for normal–normal loading and either a rhomboidal box like shape or a triangular shape for normal-shear loading, depending on the loading direction. The finite element data were well described by a single quartic yield criterion in the 6D normalized strain space combined with a piecewise linear yield criterion in two planes for normalshear loading (mean error SD: 4.660.8% for the finite element data versus the criterion).This multiaxial yield criterion in normalized-strain space can be used to describe the complete 3D multiaxial failure behavior of human trabecular bone across a wide range of bone volume fraction, mechanical anisotropy, and microarchitecture.

  2. Self-quartic interaction for a scalar field in an extended DFR noncommutative space-time

    NASA Astrophysics Data System (ADS)

    Abreu, Everton M. C.; Neves, M. J.

    2014-07-01

    The framework of Dopliche-Fredenhagen-Roberts (DFR) for a noncommutative (NC) space-time is considered as an alternative approach to study the NC space-time of the early Universe. Concerning this formalism, the NC constant parameter, θ, is promoted to coordinate of the space-time and consequently we can describe a field theory in a space-time with extra-dimensions. We will see that there is a canonical momentum associated with this new coordinate in which the effects of a new physics can emerge in the propagation of the fields along the extra-dimensions. The Fourier space of this framework is automatically extended by the addition of the new momenta components. The main concept that we would like to emphasize from the outset is that the formalism demonstrated here will not be constructed by introducing a NC parameter in the system, as usual. It will be generated naturally from an already NC space. We will review that when the components of the new momentum are zero, the (extended) DFR approach is reduced to the usual (canonical) NC case, in which θ is an antisymmetric constant matrix. In this work we will study a scalar field action with self-quartic interaction ϕ4⋆ defined in the DFR NC space-time. We will obtain the Feynman rules in the Fourier space for the scalar propagator and vertex of the model. With these rules we are able to build the radiative corrections to one loop order of the model propagator. The consequences of the NC scale, as well as the propagation of the field in extra-dimensions, will be analyzed in the ultraviolet divergences scenario. We will investigate about the actual possibility that this kμν conjugate momentum has the property of healing the combination of IR/UV divergences that emerges in this recently new NC spacetime quantum field theory.

  3. A quartic B-spline based explicit time integration scheme for structural dynamics with controllable numerical dissipation

    NASA Astrophysics Data System (ADS)

    Wen, W. B.; Duan, S. Y.; Yan, J.; Ma, Y. B.; Wei, K.; Fang, D. N.

    2017-03-01

    An explicit time integration scheme based on quartic B-splines is presented for solving linear structural dynamics problems. The scheme is of a one-parameter family of schemes where free algorithmic parameter controls stability, accuracy and numerical dispersion. The proposed scheme possesses at least second-order accuracy and at most third-order accuracy. A 2D wave problem is analyzed to demonstrate the effectiveness of the proposed scheme in reducing high-frequency modes and retaining low-frequency modes. Except for general structural dynamics, the proposed scheme can be used effectively for wave propagation problems in which numerical dissipation is needed to reduce spurious oscillations.

  4. The spectroscopic constants and anharmonic force field of AgSH: An ab initio study.

    PubMed

    Zhao, Yanliang; Wang, Meishan; Yang, Chuanlu; Ma, Xiaoguang; Zhu, Ziliang

    2016-07-05

    The equilibrium structure, spectroscopy constants, and anharmonic force field of silver hydrosulfide (AgSH) have been calculated at B3P86, B3PW91 and MP2 methods employing two basis sets, TZP and QZP, respectively. The calculated geometries, ground state rotational constants, harmonic vibrational wave numbers, and quartic and sextic centrifugal distortion constants are compared with the available experimental and theoretical data. The equilibrium rotational constants, fundamental frequencies, anharmonic constants, and vibration-rotation interaction constants, Coriolis coupling constants, cubic and quartic force constants are predicted. The calculated results show that the MP2/TZP results are in good agreement with experiment observation and are also an advisable choice to study the anharmonic force field of AgSH.

  5. Enthalpy of formation and anharmonic force field of diacetylene.

    PubMed

    Simmonett, Andrew C; Schaefer, Henry F; Allen, Wesley D

    2009-01-28

    The enthalpy of formation of diacetylene (C4H2) is pinpointed using state-of-the-art theoretical methods, accounting for high-order electron correlation, relativistic effects, non-Born-Oppenheimer corrections, and vibrational anharmonicity. Molecular energies are determined from coupled cluster theory with single and double excitations (CCSD), perturbative triples [CCSD(T)], full triples (CCSDT), and perturbative quadruples [CCSDT(Q)], in concert with correlation-consistent basis sets (cc-pVXZ, X=D, T, Q, 5, 6) that facilitate extrapolations to the complete basis set limit. The first full quartic force field of diacetylene is determined at the highly accurate all-electron CCSD(T) level with a cc-pCVQZ basis, which includes tight functions for core correlation. Application of second-order vibrational perturbation theory to our anharmonic force field yields fundamental frequencies with a mean absolute difference of only 3.9 cm(-1) relative to the experimental band origins, without the use of any empirical scale factors. By a focal point approach, we converge on an enthalpy change for the isogyric reaction 2 H-C[triple bond]C-H-->H-C[triple bond]C-C[triple bond]C-H+H2 of (+0.03, +0.81) kcal mol(-1) at (0, 298.15) K. With the precisely established fHdegrees of acetylene, we thus obtain DeltafHdegrees(C4H2)=(109.4,109.7)+/-0.3 kcal mol(-1) at (0, 298.15) K. Previous estimates of the diacetylene enthalpy of formation range from 102 to 120 kcal mol(-1).

  6. Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2

    NASA Astrophysics Data System (ADS)

    Hohenstein, Edward G.; Kokkila, Sara I. L.; Parrish, Robert M.; Martínez, Todd J.

    2013-03-01

    The second-order approximate coupled cluster singles and doubles method (CC2) is a valuable tool in electronic structure theory. Although the density fitting approximation has been successful in extending CC2 to larger molecules, it cannot address the steep O(N^5) scaling with the number of basis functions, N. Here, we introduce the tensor hypercontraction (THC) approximation to CC2 (THC-CC2), which reduces the scaling to O(N^4) and the storage requirements to O(N^2). We present an algorithm to efficiently evaluate the THC-CC2 correlation energy and demonstrate its quartic scaling. This implementation of THC-CC2 uses a grid-based least-squares THC (LS-THC) approximation to the density-fitted electron repulsion integrals. The accuracy of the CC2 correlation energy under these approximations is shown to be suitable for most practical applications.

  7. Inflation from superstring and M-theory compactification with higher order corrections. - II. - Case of quartic Weyl terms

    SciTech Connect

    Akune, Kenta; Maeda, Kei-ichi; Ohta, Nobuyoshi

    2006-05-15

    We present a detailed study of inflationary solutions in M theory with higher order quantum corrections. We first exhaust all exact and asymptotic solutions of exponential and power-law expansions in this theory with quartic curvature corrections, and then perform a linear perturbation analysis around fixed points for the exact solutions in order to see which solutions are more generic and give interesting cosmological models. We find an interesting solution in which the external space expands exponentially and the internal space is static both in the original and Einstein frames. Furthermore, we perform a numerical calculation around this solution and find numerical solutions which give enough e-foldings. We also briefly summarize similar solutions in type II superstrings.

  8. Complete set of invariants of a 4th order tensor: the 12 tasks of HARDI from ternary quartics.

    PubMed

    Papadopoulo, Théo; Ghosh, Aurobrata; Deriche, Rachid

    2014-01-01

    Invariants play a crucial role in Diffusion MRI. In DTI (2nd order tensors), invariant scalars (FA, MD) have been successfully used in clinical applications. But DTI has limitations and HARDI models (e.g. 4th order tensors) have been proposed instead. These, however, lack invariant features and computing them systematically is challenging. We present a simple and systematic method to compute a functionally complete set of invariants of a non-negative 3D 4th order tensor with respect to SO3. Intuitively, this transforms the tensor's non-unique ternary quartic (TQ) decomposition (from Hilbert's theorem) to a unique canonical representation independent of orientation - the invariants. The method consists of two steps. In the first, we reduce the 18 degrees-of-freedom (DOF) of a TQ representation by 3-DOFs via an orthogonal transformation. This transformation is designed to enhance a rotation-invariant property of choice of the 3D 4th order tensor. In the second, we further reduce 3-DOFs via a 3D rotation transformation of coordinates to arrive at a canonical set of invariants to SO3 of the tensor. The resulting invariants are, by construction, (i) functionally complete, (ii) functionally irreducible (if desired), (iii) computationally efficient and (iv) reversible (mappable to the TQ coefficients or shape); which is the novelty of our contribution in comparison to prior work. Results from synthetic and real data experiments validate the method and indicate its importance.

  9. Three-dimensional vortex structure of a fast rotating Bose-Einstein condensate with harmonic-plus-quartic confinement

    SciTech Connect

    Danaila, Ionut

    2005-07-15

    We address the challenging proposition of using real experimental parameters in a three-dimensional (3D) numerical simulation of fast rotating Bose-Einstein condensates. We simulate recent experiments [V. Bretin, S. Stock, Y. Seurin, and J. Dalibard, Phys. Rev. Lett. 92, 050403 (2004); S. Stock, V. Bretin, S. Stock, F. Chevy, and J. Dalibard, Europhys. Lett. 65, 594 (2004)] using an anharmonic (quadratic-plus-quartic) confining potential to reach rotation frequencies ({omega}) above the trap frequency ({omega}{sub perpendicular}). Our numerical results are obtained by propagating the 3D Gross-Pitaevskii equation in imaginary time. For {omega}{<=}{omega}{sub perpendicular}, we obtain an equilibrium vortex lattice similar (as the size and number of vortices) to experimental observations. For {omega}>{omega}{sub perpendicular} we observe the evolution of the vortex lattice into an array of vortices with a central hole. Since this evolution was not visible in experiments, we investigate the 3D structure of vortex configurations and 3D effects on vortex contrast. Numerical data are also compared to recent theory [D. E. Sheehy and L. Radzihovsky, Phys. Rev. A 70, 063620 (2004)] describing vortex lattice inhomogeneities and a remarkably good agreement is found.

  10. Path-integral approach to Debye-Waller factors in EXAFS, EELS and XPD for cubic and quartic anharmonic potentials.

    PubMed

    Miyanaga, T; Suzuki, T; Fujikawa, T

    2000-03-01

    In this paper thermal effects in extended X-ray absorption fine structure (EXAFS) and X-ray photoelectron diffraction (XPD) due to atomic vibration in cubic and quartic potentials are studied by use of Feynman's path-integral approach. This approach can be applied to strongly anharmonic systems where the cumulant analyses break down. It is closely related to the well known classical approach which is only valid at high temperature. The phase of the thermal factor plays an important role both in EXAFS and XPD analyses for the asymmetric potential with strong anharmonicity. At low temperature the cumulant expansion up to the second order for the thermal damping function agrees well with the self-consistent result, but up to higher orders should be taken into account for the phase function. At high temperature the result from self-consistent calculations shows the characteristic behaviour: the thermal damping function is negative in the high-k region for both strongly and weakly anharmonic systems. The cumulant approximation cannot reproduce this behaviour. For the strongly anharmonic systems the quantum result shows qualitatively different behaviour from the classical approximation at low temperature: the former does not show the negative values even in the high-k region, while the latter shows the phase inversion in the amplitude.

  11. Predicting hydration Gibbs energies of alkyl-aromatics using molecular simulation: a comparison of current force fields and the development of a new parameter set for accurate solvation data.

    PubMed

    Garrido, Nuno M; Jorge, Miguel; Queimada, António J; Gomes, José R B; Economou, Ioannis G; Macedo, Eugénia A

    2011-10-14

    The Gibbs energy of hydration is an important quantity to understand the molecular behavior in aqueous systems at constant temperature and pressure. In this work we review the performance of some popular force fields, namely TraPPE, OPLS-AA and Gromos, in reproducing the experimental Gibbs energies of hydration of several alkyl-aromatic compounds--benzene, mono-, di- and tri-substituted alkylbenzenes--using molecular simulation techniques. In the second part of the paper, we report a new model that is able to improve such hydration energy predictions, based on Lennard Jones parameters from the recent TraPPE-EH force field and atomic partial charges obtained from natural population analysis of density functional theory calculations. We apply a scaling factor determined by fitting the experimental hydration energy of only two solutes, and then present a simple rule to generate atomic partial charges for different substituted alkyl-aromatics. This rule has the added advantages of eliminating the unnecessary assumption of fixed charge on every substituted carbon atom and providing a simple guideline for extrapolating the charge assignment to any multi-substituted alkyl-aromatic molecule. The point charges derived here yield excellent predictions of experimental Gibbs energies of hydration, with an overall absolute average deviation of less than 0.6 kJ mol(-1). This new parameter set can also give good predictive performance for other thermodynamic properties and liquid structural information.

  12. Accurate monotone cubic interpolation

    NASA Technical Reports Server (NTRS)

    Huynh, Hung T.

    1991-01-01

    Monotone piecewise cubic interpolants are simple and effective. They are generally third-order accurate, except near strict local extrema where accuracy degenerates to second-order due to the monotonicity constraint. Algorithms for piecewise cubic interpolants, which preserve monotonicity as well as uniform third and fourth-order accuracy are presented. The gain of accuracy is obtained by relaxing the monotonicity constraint in a geometric framework in which the median function plays a crucial role.

  13. Accurate Finite Difference Algorithms

    NASA Technical Reports Server (NTRS)

    Goodrich, John W.

    1996-01-01

    Two families of finite difference algorithms for computational aeroacoustics are presented and compared. All of the algorithms are single step explicit methods, they have the same order of accuracy in both space and time, with examples up to eleventh order, and they have multidimensional extensions. One of the algorithm families has spectral like high resolution. Propagation with high order and high resolution algorithms can produce accurate results after O(10(exp 6)) periods of propagation with eight grid points per wavelength.

  14. The Rotational Spectrum and Anharmonic Force Field of Chlorine Dioxide, OClO

    NASA Astrophysics Data System (ADS)

    Müller, Holger S. P.; Sørensen, G. Ole; Birk, Manfred; Friedl, Randall R.

    1997-11-01

    The rotational spectra of O35ClO and O37ClO in their (000), (100), (010), (001), and (020) states have been reinvestigated in selected regions between 130 and 526 GHz. About 800 newly measured lines spanning the quantum numbers 2 ≤N≤ 65 and 0 ≤Ka≤ 17 have been analyzed together with data from two previous microwave and millimeter wave studies. In particular, the spectroscopic constants in the ground vibrational states have been improved enabeling precise predictions of line positions into the submillimeter region. The newly derived ground state rotational and quartic centrifugal distortion constants, their vibrational changes, and the sextic centrifugal distortion constants were used together with data from infrared studies in a calculation of the quartic force field.

  15. Scrutinizing the Higgs quartic coupling at a future 100 TeV proton-proton collider with taus and b-jets

    NASA Astrophysics Data System (ADS)

    Fuks, Benjamin; Kim, Jeong Han; Lee, Seung J.

    2017-08-01

    The Higgs potential consists of an unexplored territory in which the electroweak symmetry breaking is triggered, and it is moreover directly related to the nature of the electroweak phase transition. Measuring the Higgs boson cubic and quartic couplings, or getting equivalently information on the exact shape of the Higgs potential, is therefore an essential task. However, direct measurements beyond the cubic self-interaction of the Higgs boson consist of a huge challenge, even for a future proton-proton collider expected to operate at a center-of-mass energy of 100 TeV. We present a novel approach to extract model-independent constraints on the triple and quartic Higgs self-coupling by investigating triple Higgs-boson hadroproduction at a center-of-mass energy of 100 TeV, focusing on the ττb b bar b b bar channel that was previously overlooked due to a supposedly too large background. It is thrown into sharp relief that the assist from transverse variables such as mT2 and a boosted configuration ensures a high signal sensitivity. We derive the luminosities that would be required to constrain given deviations from the Standard Model in the Higgs self-interactions, showing for instance that a 2σ sensitivity could be achieved for an integrated luminosity of 30 ab-1 when Standard Model properties are assumed. With the prospects of combining these findings with other triple-Higgs search channels, the Standard Model Higgs quartic coupling could in principle be reached with a significance beyond the 3σ level.

  16. Evidence of W γ γ Production in p p Collisions at s = 8 TeV and Limits on Anomalous Quartic Gauge Couplings with the ATLAS Detector

    DOE PAGES

    Aad, G.; Abbott, B.; Abdallah, J.; ...

    2015-07-16

    This Letter reports evidence of triple gauge boson production pp → W (lν)γγ + X, which is accessible for the first time with the 8 TeV LHC data set. The fiducial cross section for this process is measured in a data sample corresponding to an integrated luminosity of 20.3 fb-1, collected by the ATLAS detector in 2012. Events are selected using the W boson decay to eν or μν as well as requiring two isolated photons. The measured cross section is used to set limits on anomalous quartic gauge couplings in the high diphoton mass region.

  17. Evidence of Wγγ Production in pp Collisions at s=8TeV and Limits on Anomalous Quartic Gauge Couplings with the ATLAS Detector

    DOE PAGES

    Aad, G.; Abbott, B.; Abdallah, J.; ...

    2015-07-16

    Here we report evidence of triple gauge boson production pp→W(ℓν)γγ+X, which is accessible for the first time with the 8 TeV LHC data set. The fiducial cross section for this process is measured in a data sample corresponding to an integrated luminosity of 20.3 fb₋1, collected by the ATLAS detector in 2012. Events are selected using the W boson decay to eν or μν as well as requiring two isolated photons. The measured cross section is used to set limits on anomalous quartic gauge couplings in the high diphoton mass region.

  18. Accurate quantum chemical calculations

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

    1989-01-01

    An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

  19. Force-Measuring Clamp

    NASA Technical Reports Server (NTRS)

    Nunnelee, Mark (Inventor)

    2004-01-01

    A precision clamp that accurately measures force over a wide range of conditions is described. Using a full bridge or other strain gage configuration. the elastic deformation of the clamp is measured or detected by the strain gages. Thc strain gages transmit a signal that corresponds to the degree of stress upon the clamp. Thc strain gage signal is converted to a numeric display. Calibration is achieved by ero and span potentiometers which enable accurate measurements by the force-measuring clamp.

  20. Force-Measuring Clamp

    NASA Technical Reports Server (NTRS)

    Nunnelee, Mark (Inventor)

    2004-01-01

    A precision clamp that accurately measures force over a wide range of conditions is described. Using a full bridge or other strain gage configuration. the elastic deformation of the clamp is measured or detected by the strain gages. Thc strain gages transmit a signal that corresponds to the degree of stress upon the clamp. Thc strain gage signal is converted to a numeric display. Calibration is achieved by ero and span potentiometers which enable accurate measurements by the force-measuring clamp.

  1. The Wheeler-Dewitt Equation for the Heterotic Superstring Theory Including Terms Quartic in the Riemann Tensor

    NASA Astrophysics Data System (ADS)

    Pollock, M. D.

    The Wheeler-DeWitt equation for the wave function of the Universe Ψ can be derived for the heterotic superstring, after reduction of the effective action, including terms hat { R}4 quartic in the Riemann tensor, from ten dimensions to { D} = M+1 dimensions, where { D} < 10. If the compactified space is Ricci flat, then no terms R3 appear, since the coefficient of hat { R}3 in the ten-dimensional action vanishes. The reduced Lagrangian, ignoring all non-gravitational fields, is then L=(16πG)-1R+a2R2+a4α‧2R4, where G is the Newton gravitational constant, α‧ is the Regge slope parameter, and a2 and a4 are dimensionless coefficients. Including only the first two terms, in the Friedmann space-time ds2=dt2-e2α(t)dx2, leads to the Schrödinger equation i∂Ψ/∂t=[-AMe-Mα∂2/∂ξ2+ VM,K(α, ξ)]Ψ, where AM is a positive constant, ξ≡dα/dt and K is the curvature of the M-space dx2. After the Wick rotation t = ∓ ĩ {t}, ξ = ± ĩ {ξ } , this equation becomes ± ∂ Ψ /∂ ˜ {t} = [-AM e{- Mα } ∂ 2/∂ ˜ {ξ }2 + ˜ {V}M,K (α ,˜ {ξ })]Ψ , where ˜ {V}M,K(α ,˜ {ξ }) = -VM,K (α ,± iξ ). The requirement that both V and ˜ {V} are positive semi-definite leads to the conditions M=3, K=0, which state that space is three-dimensional and flat. Here, a more complete Schrödinger equation is derived, via a perturbative treatment of the terms a4α‧2R4, which lifts the degeneracy of the potential V3,0 under Wick rotations, the Lorentzian signature being energetically favoured over the Euclidean signature. This corroborates results concerning supersymmetry and the quantum mechanical consistency of the string theory on the world sheet, for which the Lorentzian signature is also necessary, as it is argued to be for the Feynman path-integral formulation of Ψ.

  2. BIOACCESSIBILITY TESTS ACCURATELY ESTIMATE ...

    EPA Pesticide Factsheets

    Hazards of soil-borne Pb to wild birds may be more accurately quantified if the bioavailability of that Pb is known. To better understand the bioavailability of Pb to birds, we measured blood Pb concentrations in Japanese quail (Coturnix japonica) fed diets containing Pb-contaminated soils. Relative bioavailabilities were expressed by comparison with blood Pb concentrations in quail fed a Pb acetate reference diet. Diets containing soil from five Pb-contaminated Superfund sites had relative bioavailabilities from 33%-63%, with a mean of about 50%. Treatment of two of the soils with P significantly reduced the bioavailability of Pb. The bioaccessibility of the Pb in the test soils was then measured in six in vitro tests and regressed on bioavailability. They were: the “Relative Bioavailability Leaching Procedure” (RBALP) at pH 1.5, the same test conducted at pH 2.5, the “Ohio State University In vitro Gastrointestinal” method (OSU IVG), the “Urban Soil Bioaccessible Lead Test”, the modified “Physiologically Based Extraction Test” and the “Waterfowl Physiologically Based Extraction Test.” All regressions had positive slopes. Based on criteria of slope and coefficient of determination, the RBALP pH 2.5 and OSU IVG tests performed very well. Speciation by X-ray absorption spectroscopy demonstrated that, on average, most of the Pb in the sampled soils was sorbed to minerals (30%), bound to organic matter 24%, or present as Pb sulfate 18%. Ad

  3. BIOACCESSIBILITY TESTS ACCURATELY ESTIMATE ...

    EPA Pesticide Factsheets

    Hazards of soil-borne Pb to wild birds may be more accurately quantified if the bioavailability of that Pb is known. To better understand the bioavailability of Pb to birds, we measured blood Pb concentrations in Japanese quail (Coturnix japonica) fed diets containing Pb-contaminated soils. Relative bioavailabilities were expressed by comparison with blood Pb concentrations in quail fed a Pb acetate reference diet. Diets containing soil from five Pb-contaminated Superfund sites had relative bioavailabilities from 33%-63%, with a mean of about 50%. Treatment of two of the soils with P significantly reduced the bioavailability of Pb. The bioaccessibility of the Pb in the test soils was then measured in six in vitro tests and regressed on bioavailability. They were: the “Relative Bioavailability Leaching Procedure” (RBALP) at pH 1.5, the same test conducted at pH 2.5, the “Ohio State University In vitro Gastrointestinal” method (OSU IVG), the “Urban Soil Bioaccessible Lead Test”, the modified “Physiologically Based Extraction Test” and the “Waterfowl Physiologically Based Extraction Test.” All regressions had positive slopes. Based on criteria of slope and coefficient of determination, the RBALP pH 2.5 and OSU IVG tests performed very well. Speciation by X-ray absorption spectroscopy demonstrated that, on average, most of the Pb in the sampled soils was sorbed to minerals (30%), bound to organic matter 24%, or present as Pb sulfate 18%. Ad

  4. Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can anharmonic force fields be avoided?

    PubMed

    Kesharwani, Manoj K; Brauer, Brina; Martin, Jan M L

    2015-03-05

    We have obtained uniform frequency scaling factors λ(harm) (for harmonic frequencies), λ(fund) (for fundamentals), and λ(ZPVE) (for zero-point vibrational energies (ZPVEs)) for the Weigend-Ahlrichs and other selected basis sets for MP2, SCS-MP2, and a variety of DFT functionals including double hybrids. For selected levels of theory, we have also obtained scaling factors for true anharmonic fundamentals and ZPVEs obtained from quartic force fields. For harmonic frequencies, the double hybrids B2PLYP, B2GP-PLYP, and DSD-PBEP86 clearly yield the best performance at RMSD = 10-12 cm(-1) for def2-TZVP and larger basis sets, compared to 5 cm(-1) at the CCSD(T) basis set limit. For ZPVEs, again, the double hybrids are the best performers, reaching root-mean-square deviations (RMSDs) as low as 0.05 kcal/mol, but even mainstream functionals like B3LYP can get down to 0.10 kcal/mol. Explicitly anharmonic ZPVEs only are marginally more accurate. For fundamentals, however, simple uniform scaling is clearly inadequate.

  5. Exact vibrational energies of non-rotating H 2O and D 2O using an accurate ab initio potential

    NASA Astrophysics Data System (ADS)

    Bowman, Joel M.; Wierzbicki, Andrzej; Zúñiga, Jose

    1988-09-01

    Variationally exact vibrational energies are reported for non-rotating H 2O and D 2O using the recent CCSDT-1 ab initio potential of Bartlett, Cole, Purvis, Ermler, Hsieh and Shavitt as fit to an SPF quartic force field by Ermler. Twenty vibrational states are calculated for H 2O and D 2O and compared with experimental data. The agreement with experiment is fairly good; however, when the second-order bending force constant is reduced slightly, the agreement with experiment improves significantly. For eighteen states of H 2O the largest error is 15 cm -1 and the average absolute error is 6 cm -1. For eight states of D 2O the largest error is 7 cm -1 and the average absolute error is 4 cm -1.

  6. Phonon quarticity induced by changes in phonon-tracked hybridization during lattice expansion and its stabilization of rutile TiO2

    DOE PAGES

    Lan, Tian; Li, Chen W.; Hellman, O.; ...

    2015-08-11

    Although the rutile structure of TiO2 is stable at high temperatures, the conventional quasiharmonic approximation predicts that several acoustic phonons decrease anomalously to zero frequency with thermal expansion, incorrectly predicting a structural collapse at temperatures well below 1000 K. In this paper, inelastic neutron scattering was used to measure the temperature dependence of the phonon density of states (DOS) of rutile TiO2 from 300 to 1373 K. Surprisingly, these anomalous acoustic phonons were found to increase in frequency with temperature. First-principles calculations showed that with lattice expansion, the potentials for the anomalous acoustic phonons transform from quadratic to quartic, stabilizingmore » the rutile phase at high temperatures. In these modes, the vibrational displacements of adjacent Ti and O atoms cause variations in hybridization of 3d electrons of Ti and 2p electrons of O atoms. Finally, with thermal expansion, the energy variation in this “phonon-tracked hybridization” flattens the bottom of the interatomic potential well between Ti and O atoms, and induces a quarticity in the phonon potential.« less

  7. Phonon quarticity induced by changes in phonon-tracked hybridization during lattice expansion and its stabilization of rutile TiO2

    NASA Astrophysics Data System (ADS)

    Lan, Tian; Li, C. W.; Hellman, O.; Kim, D. S.; Muñoz, J. A.; Smith, H.; Abernathy, D. L.; Fultz, B.

    2015-08-01

    Although the rutile structure of TiO2 is stable at high temperatures, the conventional quasiharmonic approximation predicts that several acoustic phonons decrease anomalously to zero frequency with thermal expansion, incorrectly predicting a structural collapse at temperatures well below 1000 K. Inelastic neutron scattering was used to measure the temperature dependence of the phonon density of states (DOS) of rutile TiO2 from 300 to 1373 K. Surprisingly, these anomalous acoustic phonons were found to increase in frequency with temperature. First-principles calculations showed that with lattice expansion, the potentials for the anomalous acoustic phonons transform from quadratic to quartic, stabilizing the rutile phase at high temperatures. In these modes, the vibrational displacements of adjacent Ti and O atoms cause variations in hybridization of 3 d electrons of Ti and 2 p electrons of O atoms. With thermal expansion, the energy variation in this "phonon-tracked hybridization" flattens the bottom of the interatomic potential well between Ti and O atoms, and induces a quarticity in the phonon potential.

  8. Calculating qP-wave traveltimes in 2-D TTI media by high-order fast sweeping methods with a numerical quartic equation solver

    NASA Astrophysics Data System (ADS)

    Han, Song; Zhang, Wei; Zhang, Jie

    2017-09-01

    A fast sweeping method (FSM) determines the first arrival traveltimes of seismic waves by sweeping the velocity model in different directions meanwhile applying a local solver. It is an efficient way to numerically solve Hamilton-Jacobi equations for traveltime calculations. In this study, we develop an improved FSM to calculate the first arrival traveltimes of quasi-P (qP) waves in 2-D tilted transversely isotropic (TTI) media. A local solver utilizes the coupled slowness surface of qP and quasi-SV (qSV) waves to form a quartic equation, and solve it numerically to obtain possible traveltimes of qP-wave. The proposed quartic solver utilizes Fermat's principle to limit the range of the possible solution, then uses the bisection procedure to efficiently determine the real roots. With causality enforced during sweepings, our FSM converges fast in a few iterations, and the exact number depending on the complexity of the velocity model. To improve the accuracy, we employ high-order finite difference schemes and derive the second-order formulae. There is no weak anisotropy assumption, and no approximation is made to the complex slowness surface of qP-wave. In comparison to the traveltimes calculated by a horizontal slowness shooting method, the validity and accuracy of our FSM is demonstrated.

  9. Quartic Dispersion, Strong Singularity, Magnetic Instability, and Unique Thermoelectric Properties in Two-Dimensional Hexagonal Lattices of Group-VA Elements.

    PubMed

    Sevinçli, Hâldun

    2017-04-12

    The critical points and the corresponding singularities in the density of states of crystals were first classified by Van Hove with respect to their dimensionality and energy-momentum dispersions. Here, different from saddle-point Van Hove singularities, the occurrence of a continuum of critical points, which give rise to strong singularities in two-dimensional elemental hexagonal lattices, is shown using a minimal tight-binding formalism. The model predicts quartic energy-momentum dispersions despite quadratic or linear ones, which is also the origin of the strong singularity. Starting with this model and using first-principles density functional theory calculations, a family of novel two-dimensional materials that actually display such singularities are identified and their extraordinary features are investigated. The strong singularity gives rise to ferromagnetic instability with an inverse-square-root temperature dependence and the quartic dispersion is responsible for a steplike transmission spectrum, which is a characteristic feature of one-dimensional systems. Because of the abrupt change in transmission at the band edge, these materials have temperature-independent thermopower and enhanced thermoelectric efficiencies. Nitrogene has exceptionally high thermoelectric efficiencies at temperatures down to 50 K, which could make low-temperature thermoelectric applications possible.

  10. Accurate spectral color measurements

    NASA Astrophysics Data System (ADS)

    Hiltunen, Jouni; Jaeaeskelaeinen, Timo; Parkkinen, Jussi P. S.

    1999-08-01

    Surface color measurement is of importance in a very wide range of industrial applications including paint, paper, printing, photography, textiles, plastics and so on. For a demanding color measurements spectral approach is often needed. One can measure a color spectrum with a spectrophotometer using calibrated standard samples as a reference. Because it is impossible to define absolute color values of a sample, we always work with approximations. The human eye can perceive color difference as small as 0.5 CIELAB units and thus distinguish millions of colors. This 0.5 unit difference should be a goal for the precise color measurements. This limit is not a problem if we only want to measure the color difference of two samples, but if we want to know in a same time exact color coordinate values accuracy problems arise. The values of two instruments can be astonishingly different. The accuracy of the instrument used in color measurement may depend on various errors such as photometric non-linearity, wavelength error, integrating sphere dark level error, integrating sphere error in both specular included and specular excluded modes. Thus the correction formulas should be used to get more accurate results. Another question is how many channels i.e. wavelengths we are using to measure a spectrum. It is obvious that the sampling interval should be short to get more precise results. Furthermore, the result we get is always compromise of measuring time, conditions and cost. Sometimes we have to use portable syste or the shape and the size of samples makes it impossible to use sensitive equipment. In this study a small set of calibrated color tiles measured with the Perkin Elmer Lamda 18 and the Minolta CM-2002 spectrophotometers are compared. In the paper we explain the typical error sources of spectral color measurements, and show which are the accuracy demands a good colorimeter should have.

  11. The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene

    NASA Astrophysics Data System (ADS)

    Mackie, Cameron J.; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L.; Buma, Wybren Jan; Lee, Timothy J.; Tielens, Alexander G. G. M.

    2016-08-01

    The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.

  12. Linear transformation of anharmonic molecular force constants between normal and Cartesian coordinates.

    PubMed

    Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Lee, Timothy J; Tielens, Alexander G G M

    2015-06-28

    A full derivation of the analytic transformation of the quadratic, cubic, and quartic force constants from normal coordinates to Cartesian coordinates is given. Previous attempts at this transformation have resulted in non-linear transformations; however, for the first time, a simple linear transformation is presented here. Two different approaches have been formulated and implemented, one of which does not require prior knowledge of the translation-rotation eigenvectors from diagonalization of the Hessian matrix. The validity of this method is tested using two molecules H2O and c-C3H2D(+).

  13. Linear transformation of anharmonic molecular force constants between normal and Cartesian coordinates

    NASA Astrophysics Data System (ADS)

    Mackie, Cameron J.; Candian, Alessandra; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.

    2015-06-01

    A full derivation of the analytic transformation of the quadratic, cubic, and quartic force constants from normal coordinates to Cartesian coordinates is given. Previous attempts at this transformation have resulted in non-linear transformations; however, for the first time, a simple linear transformation is presented here. Two different approaches have been formulated and implemented, one of which does not require prior knowledge of the translation-rotation eigenvectors from diagonalization of the Hessian matrix. The validity of this method is tested using two molecules H2O and c-C3H2D+.

  14. Measuring nonlinear oscillations using a very accurate and low-cost linear optical position transducer

    NASA Astrophysics Data System (ADS)

    Donoso, Guillermo; Ladera, Celso L.

    2016-09-01

    An accurate linear optical displacement transducer of about 0.2 mm resolution over a range of ∼40 mm is presented. This device consists of a stack of thin cellulose acetate strips, each strip longitudinally slid ∼0.5 mm over the precedent one so that one end of the stack becomes a stepped wedge of constant step. A narrowed light beam from a white LED orthogonally incident crosses the wedge at a known point, the transmitted intensity being detected with a phototransistor whose emitter is connected to a diode. We present the interesting analytical proof that the voltage across the diode is linearly dependent upon the ordinate of the point where the light beam falls on the wedge, as well as the experimental validation of such a theoretical proof. Applications to nonlinear oscillations are then presented—including the interesting case of a body moving under dry friction, and the more advanced case of an oscillator in a quartic energy potential—whose time-varying positions were accurately measured with our transducer. Our sensing device can resolve the dynamics of an object attached to it with great accuracy and precision at a cost considerably less than that of a linear neutral density wedge. The technique used to assemble the wedge of acetate strips is described.

  15. Accurate Evaluation of Quantum Integrals

    NASA Technical Reports Server (NTRS)

    Galant, D. C.; Goorvitch, D.; Witteborn, Fred C. (Technical Monitor)

    1995-01-01

    Combining an appropriate finite difference method with Richardson's extrapolation results in a simple, highly accurate numerical method for solving a Schrodinger's equation. Important results are that error estimates are provided, and that one can extrapolate expectation values rather than the wavefunctions to obtain highly accurate expectation values. We discuss the eigenvalues, the error growth in repeated Richardson's extrapolation, and show that the expectation values calculated on a crude mesh can be extrapolated to obtain expectation values of high accuracy.

  16. Anharmonic force fields of HOF and F/sub 2/O

    SciTech Connect

    Thiel, W.; Scuseria, G.; Schaefer H.F. III; Allen, W.D.

    1988-10-15

    Ab initio predictions at the SCF, CISD, and CCSD levels are reported for the title compounds using DZP and TZP basis sets. The calculated geometries, rotational constants, dipole moments, fundamental frequencies, isotopic frequency shifts, vibration--rotation interaction constants, centrifugal distortion constants, Coriolis coupling constants, and infrared band intensities are compared with experimental data (if available). The best agreement is usually found for the CCSD results. The experimentally derived cubic force field of F/sub 2/O is reproduced well by our results so that the predicted cubic and quartic force fields of HOF and the predicted quartic force field of F/sub 2/O are also expected to be realistic. On the basis of our theoretical anharmonic constants, a new interpretation is suggested for the anomalous isotopic frequency shift of ..nu../sub 3/ in HOF and DOF. Finally, an experimentally derived r/sub e/ structure with R(O--F) = 1.4356 A, r(O--H) = 0.9664 A, and ..cap alpha..(H--O--F) = 97.72/sup 0/ is proposed for HOF on the basis of the TZP CCSD vibration--rotation interaction constants.

  17. Profitable capitation requires accurate costing.

    PubMed

    West, D A; Hicks, L L; Balas, E A; West, T D

    1996-01-01

    In the name of costing accuracy, nurses are asked to track inventory use on per treatment basis when more significant costs, such as general overhead and nursing salaries, are usually allocated to patients or treatments on an average cost basis. Accurate treatment costing and financial viability require analysis of all resources actually consumed in treatment delivery, including nursing services and inventory. More precise costing information enables more profitable decisions as is demonstrated by comparing the ratio-of-cost-to-treatment method (aggregate costing) with alternative activity-based costing methods (ABC). Nurses must participate in this costing process to assure that capitation bids are based upon accurate costs rather than simple averages.

  18. Vortices in a Rotating Spin-Orbit-Coupled Bose—Einstein Condensate under Extreme Elongation in a Harmonic Plus Quartic Trap

    NASA Astrophysics Data System (ADS)

    Chen, Guang-Ping; Chen, Si-Lin; Xie, Zheng-Wei; Zhang, Xiao-Fei; Zhang, Shou-Gang

    2016-07-01

    We consider the ground-state properties of a rotating spin-orbit-coupled Bose—Einstein condensate under extreme elongation in a harmonic plus quartic potential. The effects of spin-orbit coupling and rotation on the ground-state vortex structures are investigated. In the absence of spin-orbit coupling, new nucleated vortices gradually form vortex lines and annular vortex structures with the increase of the rotation frequency. In the presence of spin-orbit coupling, part of the vortices arrange in a line and form a stable vortex chain, and the remanent vortices coexist in pairs aside such vortex chain. More specially, the remanent vortices of each component repel each other and form vortex pair for isotropic spin-orbit coupling, while attract each other and locate in the same positions for anisotropic spin-orbit coupling. Supported by the National Natural Science Fund for National Major Scientific Research Equipment and Equipment Special Fund under Grant No. 61025023, the NMFSEID under Grant No. 61127901, the Key Project Fund of the CAS “Light of West China” Program under Grant No. 2012ZD02, the Youth Innovation Promotion Association of CAS under Grant No. 2015334, and the Sichuan Province Education Department key Natural Science Fund under Grant Nos. 13ZA0149 and 16ZA0355

  19. Ensemble MD simulations restrained via crystallographic data: Accurate structure leads to accurate dynamics

    PubMed Central

    Xue, Yi; Skrynnikov, Nikolai R

    2014-01-01

    Currently, the best existing molecular dynamics (MD) force fields cannot accurately reproduce the global free-energy minimum which realizes the experimental protein structure. As a result, long MD trajectories tend to drift away from the starting coordinates (e.g., crystallographic structures). To address this problem, we have devised a new simulation strategy aimed at protein crystals. An MD simulation of protein crystal is essentially an ensemble simulation involving multiple protein molecules in a crystal unit cell (or a block of unit cells). To ensure that average protein coordinates remain correct during the simulation, we introduced crystallography-based restraints into the MD protocol. Because these restraints are aimed at the ensemble-average structure, they have only minimal impact on conformational dynamics of the individual protein molecules. So long as the average structure remains reasonable, the proteins move in a native-like fashion as dictated by the original force field. To validate this approach, we have used the data from solid-state NMR spectroscopy, which is the orthogonal experimental technique uniquely sensitive to protein local dynamics. The new method has been tested on the well-established model protein, ubiquitin. The ensemble-restrained MD simulations produced lower crystallographic R factors than conventional simulations; they also led to more accurate predictions for crystallographic temperature factors, solid-state chemical shifts, and backbone order parameters. The predictions for 15N R1 relaxation rates are at least as accurate as those obtained from conventional simulations. Taken together, these results suggest that the presented trajectories may be among the most realistic protein MD simulations ever reported. In this context, the ensemble restraints based on high-resolution crystallographic data can be viewed as protein-specific empirical corrections to the standard force fields. PMID:24452989

  20. High accurate interpolation of NURBS tool path for CNC machine tools

    NASA Astrophysics Data System (ADS)

    Liu, Qiang; Liu, Huan; Yuan, Songmei

    2016-09-01

    Feedrate fluctuation caused by approximation errors of interpolation methods has great effects on machining quality in NURBS interpolation, but few methods can efficiently eliminate or reduce it to a satisfying level without sacrificing the computing efficiency at present. In order to solve this problem, a high accurate interpolation method for NURBS tool path is proposed. The proposed method can efficiently reduce the feedrate fluctuation by forming a quartic equation with respect to the curve parameter increment, which can be efficiently solved by analytic methods in real-time. Theoretically, the proposed method can totally eliminate the feedrate fluctuation for any 2nd degree NURBS curves and can interpolate 3rd degree NURBS curves with minimal feedrate fluctuation. Moreover, a smooth feedrate planning algorithm is also proposed to generate smooth tool motion with considering multiple constraints and scheduling errors by an efficient planning strategy. Experiments are conducted to verify the feasibility and applicability of the proposed method. This research presents a novel NURBS interpolation method with not only high accuracy but also satisfying computing efficiency.

  1. Accurate spectroscopic characterization of the HOC(O)O radical: A route toward its experimental identification

    NASA Astrophysics Data System (ADS)

    Puzzarini, Cristina; Biczysko, Malgorzata; Peterson, Kirk A.; Francisco, Joseph S.; Linguerri, Roberto

    2017-07-01

    A set of accurate spectroscopic parameters for the detection of the atmospherically important HOC(O)O radical has been obtained by means of state-of-the-art ab initio computations. These include advanced coupled cluster treatments, involving both standard and explicitly correlated approaches, to correctly account for basis set incompleteness and core-valence effects. Geometric parameters for the X˜ 2A' and A˜ 2A' ' states and, for the ground state only, vibrationally corrected rotational constants including quartic and sextic centrifugal distortion terms are reported. The infrared spectrum of the X˜ 2A' state has been simulated in the 4000-400 cm-1 wavenumber interval with an approach based on second order vibrational perturbation theory that allows accounting for anharmonic effects in both energies and intensities. Finally, the vibronic spectrum for the A ˜ ← X ˜ transition has been calculated at three different temperatures in the 9000-3000 cm-1 energy range with a time-independent technique based on the Franck-Condon approximation.

  2. Discrete sensors distribution for accurate plantar pressure analyses.

    PubMed

    Claverie, Laetitia; Ille, Anne; Moretto, Pierre

    2016-12-01

    The aim of this study was to determine the distribution of discrete sensors under the footprint for accurate plantar pressure analyses. For this purpose, two different sensor layouts have been tested and compared, to determine which was the most accurate to monitor plantar pressure with wireless devices in research and/or clinical practice. Ten healthy volunteers participated in the study (age range: 23-58 years). The barycenter of pressures (BoP) determined from the plantar pressure system (W-inshoe®) was compared to the center of pressures (CoP) determined from a force platform (AMTI) in the medial-lateral (ML) and anterior-posterior (AP) directions. Then, the vertical ground reaction force (vGRF) obtained from both W-inshoe® and force platform was compared for both layouts for each subject. The BoP and vGRF determined from the plantar pressure system data showed good correlation (SCC) with those determined from the force platform data, notably for the second sensor organization (ML SCC= 0.95; AP SCC=0.99; vGRF SCC=0.91). The study demonstrates that an adjusted placement of removable sensors is key to accurate plantar pressure analyses. These results are promising for a plantar pressure recording outside clinical or laboratory settings, for long time monitoring, real time feedback or for whatever activity requiring a low-cost system.

  3. EXPERIMENTAL BENCHMARKING OF THE MAGNETIZED FRICTION FORCE.

    SciTech Connect

    FEDOTOV, A.V.; GALNANDER, B.; LITVINENKO, V.N.; LOFNES, T.; SIDORIN, A.O.; SMIRNOV, A.V.; ZIEMANN, V.

    2005-09-18

    High-energy electron cooling, presently considered as essential tool for several applications in high-energy and nuclear physics, requires accurate description of the friction force. A series of measurements were performed at CELSIUS with the goal to provide accurate data needed for the benchmarking of theories and simulations. Some results of accurate comparison of experimental data with the friction force formulas are presented.

  4. Experimental Benchmarking of the Magnetized Friction Force

    SciTech Connect

    Fedotov, A. V.; Litvinenko, V. N.; Galnander, B.; Lofnes, T.; Ziemann, V.; Sidorin, A. O.; Smirnov, A. V.

    2006-03-20

    High-energy electron cooling, presently considered as essential tool for several applications in high-energy and nuclear physics, requires accurate description of the friction force. A series of measurements were performed at CELSIUS with the goal to provide accurate data needed for the benchmarking of theories and simulations. Some results of accurate comparison of experimental data with the friction force formulas are presented.

  5. Labor Force

    ERIC Educational Resources Information Center

    Occupational Outlook Quarterly, 2012

    2012-01-01

    The labor force is the number of people ages 16 or older who are either working or looking for work. It does not include active-duty military personnel or the institutionalized population, such as prison inmates. Determining the size of the labor force is a way of determining how big the economy can get. The size of the labor force depends on two…

  6. On numerically accurate finite element

    NASA Technical Reports Server (NTRS)

    Nagtegaal, J. C.; Parks, D. M.; Rice, J. R.

    1974-01-01

    A general criterion for testing a mesh with topologically similar repeat units is given, and the analysis shows that only a few conventional element types and arrangements are, or can be made suitable for computations in the fully plastic range. Further, a new variational principle, which can easily and simply be incorporated into an existing finite element program, is presented. This allows accurate computations to be made even for element designs that would not normally be suitable. Numerical results are given for three plane strain problems, namely pure bending of a beam, a thick-walled tube under pressure, and a deep double edge cracked tensile specimen. The effects of various element designs and of the new variational procedure are illustrated. Elastic-plastic computation at finite strain are discussed.

  7. Accurate stress resultants equations for laminated composite deep thick shells

    SciTech Connect

    Qatu, M.S.

    1995-11-01

    This paper derives accurate equations for the normal and shear force as well as bending and twisting moment resultants for laminated composite deep, thick shells. The stress resultant equations for laminated composite thick shells are shown to be different from those of plates. This is due to the fact the stresses over the thickness of the shell have to be integrated on a trapezoidal-like shell element to obtain the stress resultants. Numerical results are obtained and showed that accurate stress resultants are needed for laminated composite deep thick shells, especially if the curvature is not spherical.

  8. Evidence of Wγγ Production in pp Collisions at sqrt[s]=8  TeV and Limits on Anomalous Quartic Gauge Couplings with the ATLAS Detector.

    PubMed

    Aad, G; Abbott, B; Abdallah, J; Abdel Khalek, S; Abdinov, O; Aben, R; Abi, B; Abolins, M; AbouZeid, O S; Abramowicz, H; Abreu, H; Abreu, R; Abulaiti, Y; Acharya, B S; Adamczyk, L; Adams, D L; Adelman, J; Adomeit, S; Adye, T; Agatonovic-Jovin, T; Aguilar-Saavedra, J A; Agustoni, M; Ahlen, S P; Ahmadov, F; Aielli, G; Akerstedt, H; Åkesson, T P A; Akimoto, G; Akimov, A V; Alberghi, G L; Albert, J; Albrand, S; Alconada Verzini, M J; Aleksa, M; Aleksandrov, I N; Alexa, C; Alexander, G; Alexandre, G; Alexopoulos, T; Alhroob, M; Alimonti, G; Alio, L; Alison, J; Allbrooke, B M M; Allison, L J; Allport, P P; Aloisio, A; Alonso, A; Alonso, F; Alpigiani, C; Altheimer, A; Alvarez Gonzalez, B; Alviggi, M G; Amako, K; Amaral Coutinho, Y; Amelung, C; Amidei, D; Amor Dos Santos, S P; Amorim, A; Amoroso, S; Amram, N; Amundsen, G; Anastopoulos, C; Ancu, L S; Andari, N; Andeen, T; Anders, C F; Anders, G; Anderson, K J; Andreazza, A; Andrei, V; Anduaga, X S; Angelidakis, S; Angelozzi, I; Anger, P; Angerami, A; Anghinolfi, F; Anisenkov, A V; Anjos, N; Annovi, A; Antonelli, M; Antonov, A; Antos, J; Anulli, F; Aoki, M; Aperio Bella, L; Arabidze, G; Arai, Y; Araque, J P; Arce, A T H; Arduh, F A; Arguin, J-F; Argyropoulos, S; Arik, M; Armbruster, A J; Arnaez, O; Arnal, V; Arnold, H; Arratia, M; Arslan, O; Artamonov, A; Artoni, G; Asai, S; Asbah, N; Ashkenazi, A; Åsman, B; Asquith, L; Assamagan, K; Astalos, R; Atkinson, M; Atlay, N B; Auerbach, B; Augsten, K; Aurousseau, M; Avolio, G; Axen, B; Ayoub, M K; Azuelos, G; Baak, M A; Baas, A E; Bacci, C; Bachacou, H; Bachas, K; Backes, M; Backhaus, M; Bagiacchi, P; Bagnaia, P; Bai, Y; Bain, T; Baines, J T; Baker, O K; Balek, P; Balestri, T; Balli, F; Banas, E; Banerjee, Sw; Bannoura, A A E; Bansil, H S; Barak, L; Baranov, S P; Barberio, E L; Barberis, D; Barbero, M; Barillari, T; Barisonzi, M; Barklow, T; Barlow, N; Barnes, S L; Barnett, B M; Barnett, R M; Barnovska, Z; Baroncelli, A; Barone, G; Barr, A J; Barreiro, F; Barreiro Guimarães da Costa, J; Bartoldus, R; Barton, A E; Bartos, P; Bassalat, A; Basye, A; Bates, R L; Batista, S J; Batley, J R; Battaglia, M; Bauce, M; Bauer, F; Bawa, H S; Beacham, J B; Beattie, M D; Beau, T; Beauchemin, P H; Beccherle, R; Bechtle, P; Beck, H P; Becker, K; Becker, S; Beckingham, M; Becot, C; Beddall, A J; Beddall, A; Bednyakov, V A; Bee, C P; Beemster, L J; Beermann, T A; Begel, M; Behr, K; Belanger-Champagne, C; Bell, P J; Bell, W H; Bella, G; Bellagamba, L; Bellerive, A; Bellomo, M; Belotskiy, K; Beltramello, O; Benary, O; Benchekroun, D; Bender, M; Bendtz, K; Benekos, N; Benhammou, Y; Benhar Noccioli, E; Benitez Garcia, J A; Benjamin, D P; Bensinger, J R; Bentvelsen, S; Beresford, L; Beretta, M; Berge, D; Bergeaas Kuutmann, E; Berger, N; Berghaus, F; Beringer, J; Bernard, C; Bernard, N R; Bernius, C; Bernlochner, F U; Berry, T; Berta, P; Bertella, C; Bertoli, G; Bertolucci, F; Bertsche, C; Bertsche, D; Besana, M I; Besjes, G J; Bessidskaia Bylund, O; Bessner, M; Besson, N; Betancourt, C; Bethke, S; Bevan, A J; Bhimji, W; Bianchi, R M; Bianchini, L; Bianco, M; Biebel, O; Bieniek, S P; Biglietti, M; Bilbao De Mendizabal, J; Bilokon, H; Bindi, M; Binet, S; Bingul, A; Bini, C; Black, C W; Black, J E; Black, K M; Blackburn, D; Blair, R E; Blanchard, J-B; Blanco, J E; Blazek, T; Bloch, I; Blocker, C; Blum, W; Blumenschein, U; Bobbink, G J; Bobrovnikov, V S; Bocchetta, S S; Bocci, A; Bock, C; Boehler, M; Bogaerts, J A; Bogdanchikov, A G; Bohm, C; Boisvert, V; Bold, T; Boldea, V; Boldyrev, A S; Bomben, M; Bona, M; Boonekamp, M; Borisov, A; Borissov, G; Borroni, S; Bortfeldt, J; Bortolotto, V; Bos, K; Boscherini, D; Bosman, M; Boudreau, J; Bouffard, J; Bouhova-Thacker, E V; Boumediene, D; Bourdarios, C; Bousson, N; Boutouil, S; Boveia, A; Boyd, J; Boyko, I R; Bozic, I; Bracinik, J; Brandt, A; Brandt, G; Brandt, O; Bratzler, U; Brau, B; Brau, J E; Braun, H M; Brazzale, S F; Brendlinger, K; Brennan, A J; Brenner, L; Brenner, R; Bressler, S; Bristow, K; Bristow, T M; Britton, D; Britzger, D; Brochu, F M; 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    2015-07-17

    This Letter reports evidence of triple gauge boson production pp→W(ℓν)γγ+X, which is accessible for the first time with the 8 TeV LHC data set. The fiducial cross section for this process is measured in a data sample corresponding to an integrated luminosity of 20.3  fb^{-1}, collected by the ATLAS detector in 2012. Events are selected using the W boson decay to eν or μν as well as requiring two isolated photons. The measured cross section is used to set limits on anomalous quartic gauge couplings in the high diphoton mass region.

  9. ACCURATE SPECTROSCOPIC CHARACTERIZATION OF OXIRANE: A VALUABLE ROUTE TO ITS IDENTIFICATION IN TITAN’S ATMOSPHERE AND THE ASSIGNMENT OF UNIDENTIFIED INFRARED BANDS

    PubMed Central

    Puzzarini, Cristina; Biczysko, Malgorzata; Bloino, Julien; Barone, Vincenzo

    2015-01-01

    In an effort to provide an accurate spectroscopic characterization of oxirane, state-of-the-art computational methods and approaches have been employed to determine highly accurate fundamental vibrational frequencies and rotational parameters. Available experimental data were used to assess the reliability of our computations, and an accuracy on average of 10 cm−1 for fundamental transitions as well as overtones and combination bands has been pointed out. Moving to rotational spectroscopy, relative discrepancies of 0.1%, 2%–3%, and 3%–4% were observed for rotational, quartic, and sextic centrifugal-distortion constants, respectively. We are therefore confident that the highly accurate spectroscopic data provided herein can be useful for identification of oxirane in Titan’s atmosphere and the assignment of unidentified infrared bands. Since oxirane was already observed in the interstellar medium and some astronomical objects are characterized by very high D/H ratios, we also considered the accurate determination of the spectroscopic parameters for the mono-deuterated species, oxirane-d1. For the latter, an empirical scaling procedure allowed us to improve our computed data and to provide predictions for rotational transitions with a relative accuracy of about 0.02% (i.e., an uncertainty of about 40 MHz for a transition lying at 200 GHz). PMID:26543240

  10. Accurate ab Initio Spin Densities.

    PubMed

    Boguslawski, Katharina; Marti, Konrad H; Legeza, Ors; Reiher, Markus

    2012-06-12

    We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix renormalization group (DMRG) algorithm to calculate the spin density matrix elements as a basic quantity for the spatially resolved spin density distribution. The spin density matrix elements are directly determined from the second-quantized elementary operators optimized by the DMRG algorithm. As an analytic convergence criterion for the spin density distribution, we employ our recently developed sampling-reconstruction scheme [J. Chem. Phys.2011, 134, 224101] to build an accurate complete-active-space configuration-interaction (CASCI) wave function from the optimized matrix product states. The spin density matrix elements can then also be determined as an expectation value employing the reconstructed wave function expansion. Furthermore, the explicit reconstruction of a CASCI-type wave function provides insight into chemically interesting features of the molecule under study such as the distribution of α and β electrons in terms of Slater determinants, CI coefficients, and natural orbitals. The methodology is applied to an iron nitrosyl complex which we have identified as a challenging system for standard approaches [J. Chem. Theory Comput.2011, 7, 2740].

  11. Accurate ab Initio Spin Densities

    PubMed Central

    2012-01-01

    We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix renormalization group (DMRG) algorithm to calculate the spin density matrix elements as a basic quantity for the spatially resolved spin density distribution. The spin density matrix elements are directly determined from the second-quantized elementary operators optimized by the DMRG algorithm. As an analytic convergence criterion for the spin density distribution, we employ our recently developed sampling-reconstruction scheme [J. Chem. Phys.2011, 134, 224101] to build an accurate complete-active-space configuration-interaction (CASCI) wave function from the optimized matrix product states. The spin density matrix elements can then also be determined as an expectation value employing the reconstructed wave function expansion. Furthermore, the explicit reconstruction of a CASCI-type wave function provides insight into chemically interesting features of the molecule under study such as the distribution of α and β electrons in terms of Slater determinants, CI coefficients, and natural orbitals. The methodology is applied to an iron nitrosyl complex which we have identified as a challenging system for standard approaches [J. Chem. Theory Comput.2011, 7, 2740]. PMID:22707921

  12. Force cycles and force chains.

    PubMed

    Tordesillas, Antoinette; Walker, David M; Lin, Qun

    2010-01-01

    We examine the coevolution of N cycles and force chains as part of a broader study which is designed to quantitatively characterize the role of the laterally supporting contact network to the evolution of force chains. Here, we elucidate the rheological function of these coexisting structures, especially in the lead up to failure. In analogy to force chains, we introduce the concept of force cycles: N cycles whose contacts each bear above average force. We examine their evolution around force chains in a discrete element simulation of a dense granular material under quasistatic biaxial loading. Three-force cycles are shown to be stabilizing structures that inhibit relative particle rotations and provide strong lateral support to force chains. These exhibit distinct behavior from other cycles. Their population decreases rapidly during the initial stages of the strain-hardening regime-a trend that is suddenly interrupted and reversed upon commencement of force chain buckling prior to peak shear stress. Results suggest that the three-force cycles are called upon for reinforcements to ward off failure via shear banding. Ultimately though, the resistance to buckling proves futile; buckling wins under the combined effects of dilatation and increasing compressive load. The sudden increase in three-force cycles may thus be viewed as an indicator of imminent failure via shear bands.

  13. Multigrid time-accurate integration of Navier-Stokes equations

    NASA Technical Reports Server (NTRS)

    Arnone, Andrea; Liou, Meng-Sing; Povinelli, Louis A.

    1993-01-01

    Efficient acceleration techniques typical of explicit steady-state solvers are extended to time-accurate calculations. Stability restrictions are greatly reduced by means of a fully implicit time discretization. A four-stage Runge-Kutta scheme with local time stepping, residual smoothing, and multigridding is used instead of traditional time-expensive factorizations. Some applications to natural and forced unsteady viscous flows show the capability of the procedure.

  14. Multigrid time-accurate integration of Navier-Stokes equations

    NASA Technical Reports Server (NTRS)

    Arnone, Andrea; Liou, Meng-Sing; Povinelli, Louis A.

    1993-01-01

    Efficient acceleration techniques typical of explicit steady-state solvers are extended to time-accurate calculations. Stability restrictions are greatly reduced by means of a fully implicit time discretization. A four-stage Runge-Kutta scheme with local time stepping, residual smoothing, and multigridding is used instead of traditional time-expensive factorizations. Some applications to natural and forced unsteady viscous flows show the capability of the procedure.

  15. Effective and Accurate Colormap Selection

    NASA Astrophysics Data System (ADS)

    Thyng, K. M.; Greene, C. A.; Hetland, R. D.; Zimmerle, H.; DiMarco, S. F.

    2016-12-01

    Science is often communicated through plots, and design choices can elucidate or obscure the presented data. The colormap used can honestly and clearly display data in a visually-appealing way, or can falsely exaggerate data gradients and confuse viewers. Fortunately, there is a large resource of literature in color science on how color is perceived which we can use to inform our own choices. Following this literature, colormaps can be designed to be perceptually uniform; that is, so an equally-sized jump in the colormap at any location is perceived by the viewer as the same size. This ensures that gradients in the data are accurately percieved. The same colormap is often used to represent many different fields in the same paper or presentation. However, this can cause difficulty in quick interpretation of multiple plots. For example, in one plot the viewer may have trained their eye to recognize that red represents high salinity, and therefore higher density, while in the subsequent temperature plot they need to adjust their interpretation so that red represents high temperature and therefore lower density. In the same way that a single Greek letter is typically chosen to represent a field for a paper, we propose to choose a single colormap to represent a field in a paper, and use multiple colormaps for multiple fields. We have created a set of colormaps that are perceptually uniform, and follow several other design guidelines. There are 18 colormaps to give options to choose from for intuitive representation. For example, a colormap of greens may be used to represent chlorophyll concentration, or browns for turbidity. With careful consideration of human perception and design principles, colormaps may be chosen which faithfully represent the data while also engaging viewers.

  16. Phonon quarticity induced by changes in phonon-tracked hybridization during lattice expansion and its stabilization of rutile TiO2

    SciTech Connect

    Lan, Tian; Li, Chen W.; Hellman, O.; Kim, D. S.; Muñoz, Jorge A.; Smith, Hillary; Abernathy, Douglas L.; Fultz, B.

    2015-08-11

    Although the rutile structure of TiO2 is stable at high temperatures, the conventional quasiharmonic approximation predicts that several acoustic phonons decrease anomalously to zero frequency with thermal expansion, incorrectly predicting a structural collapse at temperatures well below 1000 K. In this paper, inelastic neutron scattering was used to measure the temperature dependence of the phonon density of states (DOS) of rutile TiO2 from 300 to 1373 K. Surprisingly, these anomalous acoustic phonons were found to increase in frequency with temperature. First-principles calculations showed that with lattice expansion, the potentials for the anomalous acoustic phonons transform from quadratic to quartic, stabilizing the rutile phase at high temperatures. In these modes, the vibrational displacements of adjacent Ti and O atoms cause variations in hybridization of 3d electrons of Ti and 2p electrons of O atoms. Finally, with thermal expansion, the energy variation in this “phonon-tracked hybridization” flattens the bottom of the interatomic potential well between Ti and O atoms, and induces a quarticity in the phonon potential.

  17. Search for anomalous quartic WWγγ couplings in dielectron and missing energy final states in pp̄ collisions at √s=1.96 TeV

    SciTech Connect

    Abazov, V. M.; Abbott, B.; Acharya, B. S.; Adams, M.; Adams, T.; Agnew, J. P.; Alexeev, G. D.; Alkhazov, G.; Alton, A.; Askew, A.; Atkins, S.; Augsten, K.; Avila, C.; Badaud, F.; Bagby, L.; Baldin, B.; Bandurin, D. V.; Banerjee, S.; Barberis, E.; Baringer, P.; Bartlett, J. F.; Bassler, U.; Bazterra, V.; Bean, A.; Begalli, M.; Bellantoni, L.; Beri, S. B.; Bernardi, G.; Bernhard, R.; Bertram, I.; Besançon, M.; Beuselinck, R.; Bhat, P. C.; Bhatia, S.; Bhatnagar, V.; Blazey, G.; Blessing, S.; Bloom, K.; Boehnlein, A.; Boline, D.; Boos, E. E.; Borissov, G.; Brandt, A.; Brandt, O.; Brock, R.; Bross, A.; Brown, D.; Bu, X. B.; Buehler, M.; Buescher, V.; Bunichev, V.; Burdin, S.; Buszello, C. P.; Camacho-Pérez, E.; Casey, B. C. K.; Castilla-Valdez, H.; Caughron, S.; Chakrabarti, S.; Chan, K. M.; Chandra, A.; Chapon, E.; Chen, G.; Cho, S. W.; Choi, S.; Choudhary, B.; Cihangir, S.; Claes, D.; Clutter, J.; Cooke, M.; Cooper, W. E.; Corcoran, M.; Couderc, F.; Cousinou, M.-C.; Cutts, D.; Das, A.; Davies, G.; de Jong, S. J.; De La Cruz-Burelo, E.; Déliot, F.; Demina, R.; Denisov, D.; Denisov, S. P.; Desai, S.; Deterre, C.; DeVaughan, K.; Diehl, H. T.; Diesburg, M.; Ding, P. F.; Dominguez, A.; Dubey, A.; Dudko, L. V.; Duperrin, A.; Dutt, S.; Eads, M.; Edmunds, D.; Ellison, J.; Elvira, V. D.; Enari, Y.; Evans, H.; Evdokimov, V. N.; Feng, L.; Ferbel, T.; Fiedler, F.; Filthaut, F.; Fisher, W.; Fisk, H. E.; Fortner, M.; Fox, H.; Fuess, S.; Garcia-Bellido, A.; García-González, J. A.; Gavrilov, V.; Geng, W.; Gerber, C. E.; Gershtein, Y.; Ginther, G.; Golovanov, G.; Grannis, P. D.; Greder, S.; Greenlee, H.; Grenier, G.; Gris, Ph.; Grivaz, J.-F.; Grohsjean, A.; Grünendahl, S.; Grünewald, M. W.; Guillemin, T.; Gutierrez, G.; Gutierrez, P.; Haley, J.; Han, L.; Harder, K.; Harel, A.; Hauptman, J. M.; Hays, J.; Head, T.; Hebbeker, T.; Hedin, D.; Hegab, H.; Heinson, A. P.; Heintz, U.; Hensel, C.; Heredia-De La Cruz, I.; Herner, K.; Hesketh, G.; Hildreth, M. D.; Hirosky, R.; Hoang, T.; Hobbs, J. D.; Hoeneisen, B.; Hogan, J.; Hohlfeld, M.; Howley, I.; Hubacek, Z.; Hynek, V.; Iashvili, I.; Ilchenko, Y.; Illingworth, R.; Ito, A. S.; Jabeen, S.; Jaffré, M.; Jayasinghe, A.; Holzbauer, J.; Jeong, M. S.; Jesik, R.; Jiang, P.; Johns, K.; Johnson, E.; Johnson, M.; Jonckheere, A.; Jonsson, P.; Joshi, J.; Jung, A. W.; Juste, A.; Kajfasz, E.; Karmanov, D.; Katsanos, I.; Kehoe, R.; Kermiche, S.; Khalatyan, N.; Khanov, A.; Kharchilava, A.; Kharzheev, Y. N.; Kiselevich, I.; Kohli, J. M.; Kozelov, A. V.; Kraus, J.; Kumar, A.; Kupco, A.; Kurča, T.; Kuzmin, V. A.; Lammers, S.; Lebrun, P.; Lee, H. S.; Lee, S. W.; Lee, W. M.; Lei, X.; Lellouch, J.; Li, D.; Li, H.; Li, L.; Li, Q. Z.; Lim, J. K.; Lincoln, D.; Linnemann, J.; Lipaev, V. V.; Lipton, R.; Liu, H.; Liu, Y.; Lobodenko, A.; Lokajicek, M.; Lopes de Sa, R.; Luna-Garcia, R.; Lyon, A. L.; Maciel, A. K. A.; Madar, R.; Magaña-Villalba, R.; Malik, S.; Malyshev, V. L.; Mansour, J.; Martínez-Ortega, J.; McCarthy, R.; McGivern, C. L.; Meijer, M. M.; Melnitchouk, A.; Menezes, D.; Mercadante, P. G.; Merkin, M.; Meyer, A.; Meyer, J.; Miconi, F.; Mondal, N. K.; Mulhearn, M.; Nagy, E.; Narain, M.; Nayyar, R.; Neal, H. A.; Negret, J. P.; Neustroev, P.; Nguyen, H. T.; Nunnemann, T.; Orduna, J.; Osman, N.; Osta, J.; Pal, A.; Parashar, N.; Parihar, V.; Park, S. K.; Partridge, R.; Parua, N.; Patwa, A.; Penning, B.; Perfilov, M.; Peters, Y.; Petridis, K.; Petrillo, G.; Pétroff, P.; Pleier, M.-A.; Podstavkov, V. M.; Popov, A. V.; Prewitt, M.; Price, D.; Prokopenko, N.; Qian, J.; Quadt, A.; Quinn, B.; Ratoff, P. N.; Razumov, I.; Ripp-Baudot, I.; Rizatdinova, F.; Rominsky, M.; Ross, A.; Royon, C.; Rubinov, P.; Ruchti, R.; Sajot, G.; Sánchez-Hernández, A.; Sanders, M. P.; Santos, A. S.; Savage, G.; Sawyer, L.; Scanlon, T.; Schamberger, R. D.; Scheglov, Y.; Schellman, H.; Schwanenberger, C.; Schwienhorst, R.; Sekaric, J.; Severini, H.; Shabalina, E.; Shary, V.; Shaw, S.; Shchukin, A. A.; Simak, V.; Skubic, P.; Slattery, P.; Smirnov, D.; Snow, G. R.; Snow, J.; Snyder, S.; Söldner-Rembold, S.; Sonnenschein, L.; Soustruznik, K.; Stark, J.; Stoyanova, D. A.; Strauss, M.; Suter, L.; Svoisky, P.; Titov, M.; Tokmenin, V. V.; Tsai, Y.-T.; Tsybychev, D.; Tuchming, B.; Tully, C.; Uvarov, L.; Uvarov, S.; Uzunyan, S.; Van Kooten, R.; van Leeuwen, W. M.; Varelas, N.; Varnes, E. W.; Vasilyev, I. A.; Verkheev, A. Y.; Vertogradov, L. S.; Verzocchi, M.; Vesterinen, M.; Vilanova, D.; Vokac, P.; Wahl, H. D.; Wang, M. H. L. S.; Warchol, J.; Watts, G.; Wayne, M.; Weichert, J.; Welty-Rieger, L.; Williams, M. R. J.; Wilson, G. W.; Wobisch, M.; Wood, D. R.; Wyatt, T. R.; Xie, Y.; Yamada, R.; Yang, S.; Yasuda, T.; Yatsunenko, Y. A.; Ye, W.; Ye, Z.; Yin, H.; Yip, K.; Youn, S. W.; Yu, J. M.; Zennamo, J.; Zhao, T. G.; Zhou, B.; Zhu, J.

    2013-07-29

    We present a search for anomalous components of the quartic gauge boson coupling WWγγ in events with an electron, a positron and missing transverse energy. The analyzed data correspond to 9.7 fb⁻¹ of integrated luminosity collected by the D0 detector in pp̄ collisions at s√=1.96 TeV. The presence of anomalous quartic gauge couplings would manifest itself as an excess of boosted WW events. No such excess is found in the data, and we set the most stringent limits to date on the anomalous coupling parameters aW0 and aWC. When a form factor with Λcutoff=0.5 TeV is used, the observed upper limits at 95% C.L. are |aW0/Λ²|<0.0025 GeV⁻² and |aWC/Λ²|<0.0092 GeV⁻².

  18. Search for anomalous quartic WWγγ couplings in dielectron and missing energy final states in pp̄ collisions at √s=1.96 TeV

    DOE PAGES

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

    2013-07-29

    We present a search for anomalous components of the quartic gauge boson coupling WWγγ in events with an electron, a positron and missing transverse energy. The analyzed data correspond to 9.7 fb⁻¹ of integrated luminosity collected by the D0 detector in pp̄ collisions at s√=1.96 TeV. The presence of anomalous quartic gauge couplings would manifest itself as an excess of boosted WW events. No such excess is found in the data, and we set the most stringent limits to date on the anomalous coupling parameters aW0 and aWC. When a form factor with Λcutoff=0.5 TeV is used, the observed uppermore » limits at 95% C.L. are |aW0/Λ²|<0.0025 GeV⁻² and |aWC/Λ²|<0.0092 GeV⁻².« less

  19. Linear inflation from quartic potential

    NASA Astrophysics Data System (ADS)

    Kannike, Kristjan; Racioppi, Antonio; Raidal, Martti

    2016-01-01

    We show that if the inflaton has a non-minimal coupling to gravity and the Planck scale is dynamically generated, the results of Coleman-Weinberg inflation are confined in between two attractor solutions: quadratic inflation, which is ruled out by the recent measurements, and linear inflation which, instead, is in the experimental allowed region. The minimal scenario has only one free parameter — the inflaton's non-minimal coupling to gravity — that determines all physical parameters such as the tensor-to-scalar ratio and the reheating temperature of the Universe. Should the more precise future measurements of inflationary parameters point towards linear inflation, further interest in scale-invariant scenarios would be motivated.

  20. Labor Force

    ERIC Educational Resources Information Center

    Occupational Outlook Quarterly, 2010

    2010-01-01

    The labor force is the number of people aged 16 or older who are either working or looking for work. It does not include active-duty military personnel or institutionalized people, such as prison inmates. Quantifying this total supply of labor is a way of determining how big the economy can get. Labor force participation rates vary significantly…

  1. Cooling Force Measurements at CELSIUS

    SciTech Connect

    Ga ring lnander, B.; Lofnes, T.; Ziemann, V.; Fedotov, A. V.; Litvinenko, V. N.; Sidorin, A. O.; Smirnov, A. V.

    2006-03-20

    The design of future high energy coolers relies heavily on extending the results of cooling force measurements into new regimes by using simulation codes. In order to carefully benchmark these codes we have accurately measured the longitudinal friction force in CELSIUS by recording the phase shift between the beam and the RF voltage while varying the RF frequency. Moreover, parameter dependencies on the electron current, solenoid magnetic field and magnetic field alignment were carried out.

  2. COOLING FORCE MEASUREMENTS IN CELSIUS.

    SciTech Connect

    GALNANDER, B.; FEDOTOV, A.V.; LITVINENKO, V.N.; ET AL.

    2005-09-18

    The design of future high energy coolers relies heavily on extending the results of cooling force measurements into new regimes by using simulation codes. In order to carefully benchmark these codes we have accurately measured the longitudinal friction force in CELSIUS by recording the phase shift between the beam and the RF voltage while varying the RF frequency. Moreover, parameter dependencies on the electron current, solenoid magnetic field and magnetic field alignment were carried out.

  3. Facing the partner influences exchanges in force

    PubMed Central

    Takagi, Atsushi; Bagnato, Carlo; Burdet, Etienne

    2016-01-01

    Many studies in psychology have documented how the behaviour of verbally communicating pairs is affected by social factors such as the partner’s gaze. However, few studies have examined whether physically interacting pairs are influenced by social factors. Here, we asked two partners to exchange forces with one another, where the goal was to accurately replicate the force back onto the other. We first measured an individual’s accuracy in reproducing a force from a robot. We then tested pairs who knowingly exchanged forces whilst separated by a curtain. These separated pairs exchanged forces as two independent individuals would, hence the force reproduction accuracy of partners is not affected by knowingly reproducing a force onto a nonvisible partner. On the other hand, pairs who exchanged forces whilst facing one another consistently under-reproduced the partner’s force in comparison to separated partners. Thus, the force reproduction accuracy of subjects is strongly biased by facing a partner. PMID:27739492

  4. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect to... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Accurate measurement. 4...

  5. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect to... 38 Pensions, Bonuses, and Veterans' Relief 1 2014-07-01 2014-07-01 false Accurate measurement. 4...

  6. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect to... 38 Pensions, Bonuses, and Veterans' Relief 1 2011-07-01 2011-07-01 false Accurate measurement. 4...

  7. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect to... 38 Pensions, Bonuses, and Veterans' Relief 1 2013-07-01 2013-07-01 false Accurate measurement. 4...

  8. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect to... 38 Pensions, Bonuses, and Veterans' Relief 1 2012-07-01 2012-07-01 false Accurate measurement. 4...

  9. Accurately measuring dynamic coefficient of friction in ultraform finishing

    NASA Astrophysics Data System (ADS)

    Briggs, Dennis; Echaves, Samantha; Pidgeon, Brendan; Travis, Nathan; Ellis, Jonathan D.

    2013-09-01

    UltraForm Finishing (UFF) is a deterministic sub-aperture computer numerically controlled grinding and polishing platform designed by OptiPro Systems. UFF is used to grind and polish a variety of optics from simple spherical to fully freeform, and numerous materials from glasses to optical ceramics. The UFF system consists of an abrasive belt around a compliant wheel that rotates and contacts the part to remove material. This work aims to accurately measure the dynamic coefficient of friction (μ), how it changes as a function of belt wear, and how this ultimately affects material removal rates. The coefficient of friction has been examined in terms of contact mechanics and Preston's equation to determine accurate material removal rates. By accurately predicting changes in μ, polishing iterations can be more accurately predicted, reducing the total number of iterations required to meet specifications. We have established an experimental apparatus that can accurately measure μ by measuring triaxial forces during translating loading conditions or while manufacturing the removal spots used to calculate material removal rates. Using this system, we will demonstrate μ measurements for UFF belts during different states of their lifecycle and assess the material removal function from spot diagrams as a function of wear. Ultimately, we will use this system for qualifying belt-wheel-material combinations to develop a spot-morphing model to better predict instantaneous material removal functions.

  10. Force sensor

    DOEpatents

    Grahn, Allen R.

    1993-01-01

    A force sensor and related method for determining force components. The force sensor includes a deformable medium having a contact surface against which a force can be applied, a signal generator for generating signals that travel through the deformable medium to the contact surface, a signal receptor for receiving the signal reflected from the contact surface, a generation controller, a reception controller, and a force determination apparatus. The signal generator has one or more signal generation regions for generating the signals. The generation controller selects and activates the signal generation regions. The signal receptor has one or more signal reception regions for receiving signals and for generating detections signals in response thereto. The reception controller selects signal reception regions and detects the detection signals. The force determination apparatus measures signal transit time by timing activation and detection and, optionally, determines force components for selected cross-field intersections. The timer which times by activation and detection can be any means for measuring signal transit time. A cross-field intersection is defined by the overlap of a signal generation region and a signal reception region.

  11. Force sensor

    DOEpatents

    Grahn, A.R.

    1993-05-11

    A force sensor and related method for determining force components is described. The force sensor includes a deformable medium having a contact surface against which a force can be applied, a signal generator for generating signals that travel through the deformable medium to the contact surface, a signal receptor for receiving the signal reflected from the contact surface, a generation controller, a reception controller, and a force determination apparatus. The signal generator has one or more signal generation regions for generating the signals. The generation controller selects and activates the signal generation regions. The signal receptor has one or more signal reception regions for receiving signals and for generating detections signals in response thereto. The reception controller selects signal reception regions and detects the detection signals. The force determination apparatus measures signal transit time by timing activation and detection and, optionally, determines force components for selected cross-field intersections. The timer which times by activation and detection can be any means for measuring signal transit time. A cross-field intersection is defined by the overlap of a signal generation region and a signal reception region.

  12. The anharmonic force field and equilibrium molecular structure of ketene

    NASA Astrophysics Data System (ADS)

    East, Allan L. L.; Allen, Wesley D.; Klippenstein, Stephen J.

    1995-06-01

    A comprehensive anharmonic vibrational analysis of isotopic ketenes has been performed on the basis of a complete ab initio quartic force field constructed by means of second-order Møller-Plesset perturbation theory (MP2) and the coupled-cluster singles and doubles (CCSD) approach, augmented for structural optimizations by a contribution for connected triple excitations [CCSD(T)]. The atomic-orbital basis sets of the study entailed C,O(10s6p/5s4p) and H(6s/4s) spaces multiply polarized in the valence region to give QZ(2d,2p) and QZ(2d1f,2p1d) sets. An iterative anharmonic vibrational refinement of a limited set of quadratic scaling parameters on 27 fundamentals of H2CCO, HDCCO, D2CCO, and H2C13CO generates a final quartic force field which reproduces the empirical νi data with an average absolute error of only 1.1 cm-1. This force field yields a complete and self-consistent set of Coriolis (ζij), vibrational anharmonic (χij), vibration-rotation interaction (αi), and quartic and sextic centrifugal distortion constants, providing a critical assessment of the assorted spectroscopic constants determined over many years and also facilitating future computations of vibrational state densities for detailed tests of unimolecular dissociation theories. The harmonic frequencies ascertained for H2CCO (in cm-1), with associated anharmonicities in parentheses, are ω1(a1)=3202.2(-129.2), ω2(a1)=2197.2(-44.4), ω3(a1)=1415.2(-25.9), ω4(a1)=1146.0(-29.7), ω5(b1)=581.9(+7.1), ω6(b1)=502.6(+26.3), ω7(b2)=3308.2(-141.3), ω8(b2)=996.0(-17.9), and ω9(b2)=433.6(+5.0). The large positive anharmonicity for the ν6(b1) C=C=O bending mode, which is principally a Coriolis effect, warrants continued investigation. Explicit first-order treatments of the strong Fermi interactions within the (ν4,2ν5,ν5+ν6,2ν6) manifold reveal resonance shifts for ν4(H2CCO, HDCCO, D2CCO) of (-12.1, -10.0, +12.2) cm-1, in order. The experimental assignments for this Fermi tetrad are confirmed to

  13. Solving post-Newtonian accurate Kepler equation

    NASA Astrophysics Data System (ADS)

    Boetzel, Yannick; Susobhanan, Abhimanyu; Gopakumar, Achamveedu; Klein, Antoine; Jetzer, Philippe

    2017-08-01

    We provide an elegant way of solving analytically the third post-Newtonian (3PN) accurate Kepler equation, associated with the 3PN-accurate generalized quasi-Keplerian parametrization for compact binaries in eccentric orbits. An additional analytic solution is presented to check the correctness of our compact solution and we perform comparisons between our PN-accurate analytic solution and a very accurate numerical solution of the PN-accurate Kepler equation. We adapt our approach to compute crucial 3PN-accurate inputs that will be required to compute analytically both the time and frequency domain ready-to-use amplitude-corrected PN-accurate search templates for compact binaries in inspiralling eccentric orbits.

  14. Chin force in violin playing.

    PubMed

    Obata, Satoshi; Kinoshita, Hiroshi

    2012-06-01

    Force generated between the left mandible of violinists and the chinrest of the violin was examined using a force-sensing chinrest developed in this study. A strain-gauge force sensor was built, and it was fixed between the violin's top plate and a chin cup. Fifteen professional/amateur violinists held the violin statically, played musical scales with different sound properties and sounding techniques, as well as an excerpt from a Max Bruch concerto. Peak and mean forces were evaluated for each task. In a separate experiment, lateral movement of the lower teeth due to different levels of voluntary chin force exertion was measured. Static holding forces observed were 15 and 22 N with and without the help of the left hand, respectively. Peak force increased from 16 N at soft dynamics to 20 N at strong dynamics during scales. The force further increased to 29 N with the use of vibrato technique and 35 N during shifts. Tempo and hand position did not affect the force. Playing a Bruch concerto induced a mean peak force of 52 N, ranging from 31 to 82 N among the violinists. The developed force-sensing chinrest could accurately record the generated chin force. Typical chin force to stabilize the violin during ordinary musical performance was less than 30 N, but it could momentarily exceed 50 N when technically demanding musical pieces were performed. The lateral shift of the mandible was fairly small (<0.4 mm) even with high chin-force exertion, possibly due to clenching of the molars.

  15. Forced Snaking

    NASA Astrophysics Data System (ADS)

    Ponedel, Benjamin; Knobloch, Edgar

    2016-11-01

    We study spatial localization in the real subcritical Ginzburg-Landau equation ut =m0 u +m1 cos2/π l x u +uxx +d | u | 2 u -| u | 4 u with spatially periodic forcing. When d > 0 and m1 = 0 this equation exhibits bistability between the trivial state u = 0 and a homogeneous nontrivial state u =u0 with stationary localized structures which accumulate at the Maxwell point m0 = - 3d2 / 16 . When spatial forcing is included its wavelength is imprinted on u0 creating conditions favorable to front pinning and hence spatial localization. We use numerical continuation to show that under appropriate conditions such forcing generates a sequence of localized states organized within a snakes-and-ladders structure centered on the Maxwell point, and refer to this phenomenon as forced snaking. We determine the stability properties of these states and show that longer lengthscale forcing leads to stationary trains consisting of a finite number of strongly localized, weakly interacting pulses exhibiting foliated snaking.

  16. Spin-1/2 Ising-Heisenberg model with the pair XYZ Heisenberg interaction and quartic Ising interactions as the exactly soluble zero-field eight-vertex model.

    PubMed

    Strecka, Jozef; Canová, Lucia; Minami, Kazuhiko

    2009-05-01

    The spin-1/2 Ising-Heisenberg model with the pair XYZ Heisenberg interaction and quartic Ising interactions is exactly solved by establishing a precise mapping relationship with the corresponding zero-field (symmetric) eight-vertex model. It is shown that the Ising-Heisenberg model with the ferromagnetic Heisenberg interaction exhibits a striking critical behavior, which manifests itself through re-entrant phase transitions as well as continuously varying critical exponents. The changes in critical exponents are in accordance with the weak universality hypothesis in spite of a peculiar singular behavior that emerges at a quantum critical point of the infinite order, which occurs at the isotropic limit of the Heisenberg interaction. On the other hand, the Ising-Heisenberg model with the antiferromagnetic Heisenberg interaction surprisingly exhibits less significant changes in both critical temperatures and critical exponents upon varying the strength of the exchange anisotropy in the Heisenberg interaction.

  17. Accurate nuclear radii and binding energies from a chiral interaction

    DOE PAGES

    Ekstrom, Jan A.; Jansen, G. R.; Wendt, Kyle A.; ...

    2015-05-01

    With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to 40Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective Jπ=3- states in 16O and 40Ca are described accurately, while spectra for selected p- and sd-shellmore » nuclei are in reasonable agreement with experiment.« less

  18. Accurate nuclear radii and binding energies from a chiral interaction

    SciTech Connect

    Ekstrom, Jan A.; Jansen, G. R.; Wendt, Kyle A.; Hagen, Gaute; Papenbrock, Thomas F.; Carlsson, Boris; Forssen, Christian; Hjorth-Jensen, M.; Navratil, Petr; Nazarewicz, Witold

    2015-05-01

    With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to 40Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective Jπ=3- states in 16O and 40Ca are described accurately, while spectra for selected p- and sd-shell nuclei are in reasonable agreement with experiment.

  19. Intermolecular forces.

    PubMed

    Buckingham, A D

    1975-11-06

    The nature of molecular interactions is examined. Intermolecular forces are divided into long-range and short-range components; the former operate at distances where the effects of electron exchange are negligible and decrease as an inverse power of the separation. The long-range interactions may be subdividied into electrostatic, induction and dispersion contributions, where the electrostatic component is the interaction of the permanent charge distributions and the others originate in the fluctuations in the distributions. Typical magnitudes of the various contributions are given. The forces between macroscopic bodies are briefly considered, as are the effects of a medium. Some of the manifestations of molecular interactions are discussed.

  20. A Search for WW$\\gamma$ and WZ$\\gamma$ Triboson Production and Anomalous Quartic Gauge Couplings at $\\sqrt{s}$ = 8 and 13~TeV within the Compact Muon Solenoid

    SciTech Connect

    Faulkner, James

    2016-01-01

    An analysis probing for the standard model production of three electroweak vector bosons, WV$\\gamma$ with V = W or Z gauge boson, is presented. The W boson decays leptonically to an electron or muon, or their respective antiparticle, paired with the appropriate neutrino. The second boson V decays hadronically into two jets, and additionally a photon is required in the event. The data analyzed correspond to an integrated luminosity of 19.6~fb$^{-1}$ and 2.3~fb$^{-1}$ from proton-proton collisions at $\\sqrt{s}$ = 8~TeV and 13~TeV, respectively, collected in 2012 and 2015 by the CMS detector at the Large Hadron Collider. The event selection criteria used in these analyses yields 322 and 46 observed events in data in 2012 and 2015, respectively, while the estimated background yield from theoretical predictions is 342.1~$\\pm$~22.2 and 54.3~$\\pm$~17.7. These observations are consistent with the standard model next-to-leading order QCD predictions. Given the limitation in statistics to measure the cross section for this production process, an upper limit of 3.4 times the standard model predictions is made at a 95\\% confidence level for WV$\\gamma$ with photon $p_{T}$ greater than 30~GeV and absolute pseudorapidity less than 1.44. Physics beyond the standard model, such as anomalous couplings between the gauge bosons at the quartic vertex, may lead to enhancement in the number of WV$\\gamma$ events produced within high energy collisions. Such enhancements can be observed in kinematic distributions, particularly in the higher energy regions. No evidence of anomalous WW$\\gamma\\gamma$ and WWZ$\\gamma$ quartic gauge boson couplings is found, while 95\\% confidence level upper limits are obtained for various couplings.

  1. Modified transfer path analysis considering transmissibility functions for accurate estimation of vibration source

    NASA Astrophysics Data System (ADS)

    Kim, Ba-Leum; Jung, Jin-Young; Oh, Il-Kwon

    2017-06-01

    In this study, we developed a modified transfer path analysis (MTPA) method to more accurately estimate the operational force of the main vibration source in a complicated system subjected to multiple vibration sources, base excitation and several disturbances. In the proposed method, transmissibility functions are adopted to compensate the disturbances due to base excitation or to reject transferred forces from other vibration sources. The MTPA method was verified numerically using a simple beam model and was practically applied to estimate vibration forces of a compressor in an outdoor air conditioner unit. Present results show that the MTPA method is feasible for predicting the pure operation forces of the compressor in an outdoor air conditioner unit regardless of the vibration sources due to a rotating fan and base excitations. The proposed MTPA method has very important advantages that it can be used to more accurately estimates the operational force of the main vibration source, properly rejecting other vibration sources and disturbances.

  2. A robust and accurate formulation of molecular and colloidal electrostatics.

    PubMed

    Sun, Qiang; Klaseboer, Evert; Chan, Derek Y C

    2016-08-07

    This paper presents a re-formulation of the boundary integral method for the Debye-Hückel model of molecular and colloidal electrostatics that removes the mathematical singularities that have to date been accepted as an intrinsic part of the conventional boundary integral equation method. The essence of the present boundary regularized integral equation formulation consists of subtracting a known solution from the conventional boundary integral method in such a way as to cancel out the singularities associated with the Green's function. This approach better reflects the non-singular physical behavior of the systems on boundaries with the benefits of the following: (i) the surface integrals can be evaluated accurately using quadrature without any need to devise special numerical integration procedures, (ii) being able to use quadratic or spline function surface elements to represent the surface more accurately and the variation of the functions within each element is represented to a consistent level of precision by appropriate interpolation functions, (iii) being able to calculate electric fields, even at boundaries, accurately and directly from the potential without having to solve hypersingular integral equations and this imparts high precision in calculating the Maxwell stress tensor and consequently, intermolecular or colloidal forces, (iv) a reliable way to handle geometric configurations in which different parts of the boundary can be very close together without being affected by numerical instabilities, therefore potentials, fields, and forces between surfaces can be found accurately at surface separations down to near contact, and (v) having the simplicity of a formulation that does not require complex algorithms to handle singularities will result in significant savings in coding effort and in the reduction of opportunities for coding errors. These advantages are illustrated using examples drawn from molecular and colloidal electrostatics.

  3. A robust and accurate formulation of molecular and colloidal electrostatics

    NASA Astrophysics Data System (ADS)

    Sun, Qiang; Klaseboer, Evert; Chan, Derek Y. C.

    2016-08-01

    This paper presents a re-formulation of the boundary integral method for the Debye-Hückel model of molecular and colloidal electrostatics that removes the mathematical singularities that have to date been accepted as an intrinsic part of the conventional boundary integral equation method. The essence of the present boundary regularized integral equation formulation consists of subtracting a known solution from the conventional boundary integral method in such a way as to cancel out the singularities associated with the Green's function. This approach better reflects the non-singular physical behavior of the systems on boundaries with the benefits of the following: (i) the surface integrals can be evaluated accurately using quadrature without any need to devise special numerical integration procedures, (ii) being able to use quadratic or spline function surface elements to represent the surface more accurately and the variation of the functions within each element is represented to a consistent level of precision by appropriate interpolation functions, (iii) being able to calculate electric fields, even at boundaries, accurately and directly from the potential without having to solve hypersingular integral equations and this imparts high precision in calculating the Maxwell stress tensor and consequently, intermolecular or colloidal forces, (iv) a reliable way to handle geometric configurations in which different parts of the boundary can be very close together without being affected by numerical instabilities, therefore potentials, fields, and forces between surfaces can be found accurately at surface separations down to near contact, and (v) having the simplicity of a formulation that does not require complex algorithms to handle singularities will result in significant savings in coding effort and in the reduction of opportunities for coding errors. These advantages are illustrated using examples drawn from molecular and colloidal electrostatics.

  4. An Inexpensive and Accurate Tensiometer Using an Electronic Balance

    NASA Astrophysics Data System (ADS)

    Dolz, Manuel; Delegido, Jesús; Hernández, María-Jesús; Pellicer, Julio

    2001-09-01

    A method for measuring surface tension of liquid-air interfaces that consists of a modification of the du Noüy tensiometer is proposed. An electronic balance is used to determine the detachment force with high resolution and the relative displacement ring/plate-liquid surface is carried out by the descent of the liquid-free surface. The procedure familiarizes undergraduate students in applied science and technology with the experimental study of surface tension by means of a simple and accurate method that offers the advantages of sophisticated devices at considerably less cost. The operational aspects that must be taken into account are analyzed: the measuring system and determination of its effective length, measurement of the detachment force, and the relative system-liquid interface displacement rate. To check the accuracy of the proposed tensiometer, measurements of the surface tension of different known liquids have been performed, and good agreement with results reported in the literature was obtained.

  5. Towards Accurate Molecular Modeling of Plastic Bonded Explosives

    NASA Astrophysics Data System (ADS)

    Chantawansri, T. L.; Andzelm, J.; Taylor, D.; Byrd, E.; Rice, B.

    2010-03-01

    There is substantial interest in identifying the controlling factors that influence the susceptibility of polymer bonded explosives (PBXs) to accidental initiation. Numerous Molecular Dynamics (MD) simulations of PBXs using the COMPASS force field have been reported in recent years, where the validity of the force field in modeling the solid EM fill has been judged solely on its ability to reproduce lattice parameters, which is an insufficient metric. Performance of the COMPASS force field in modeling EMs and the polymeric binder has been assessed by calculating structural, thermal, and mechanical properties, where only fair agreement with experimental data is obtained. We performed MD simulations using the COMPASS force field for the polymer binder hydroxyl-terminated polybutadiene and five EMs: cyclotrimethylenetrinitramine, 1,3,5,7-tetranitro-1,3,5,7-tetra-azacyclo-octane, 2,4,6,8,10,12-hexantirohexaazazisowurzitane, 2,4,6-trinitro-1,3,5-benzenetriamine, and pentaerythritol tetranitate. Predicted EM crystallographic and molecular structural parameters, as well as calculated properties for the binder will be compared with experimental results for different simulation conditions. We also present novel simulation protocols, which improve agreement between experimental and computation results thus leading to the accurate modeling of PBXs.

  6. Theoretical Models for Surface Forces and Adhesion and Their Measurement Using Atomic Force Microscopy

    PubMed Central

    Leite, Fabio L.; Bueno, Carolina C.; Da Róz, Alessandra L.; Ziemath, Ervino C.; Oliveira, Osvaldo N.

    2012-01-01

    The increasing importance of studies on soft matter and their impact on new technologies, including those associated with nanotechnology, has brought intermolecular and surface forces to the forefront of physics and materials science, for these are the prevailing forces in micro and nanosystems. With experimental methods such as the atomic force spectroscopy (AFS), it is now possible to measure these forces accurately, in addition to providing information on local material properties such as elasticity, hardness and adhesion. This review provides the theoretical and experimental background of AFS, adhesion forces, intermolecular interactions and surface forces in air, vacuum and in solution. PMID:23202925

  7. Theoretical models for surface forces and adhesion and their measurement using atomic force microscopy.

    PubMed

    Leite, Fabio L; Bueno, Carolina C; Da Róz, Alessandra L; Ziemath, Ervino C; Oliveira, Osvaldo N

    2012-10-08

    The increasing importance of studies on soft matter and their impact on new technologies, including those associated with nanotechnology, has brought intermolecular and surface forces to the forefront of physics and materials science, for these are the prevailing forces in micro and nanosystems. With experimental methods such as the atomic force spectroscopy (AFS), it is now possible to measure these forces accurately, in addition to providing information on local material properties such as elasticity, hardness and adhesion. This review provides the theoretical and experimental background of afs, adhesion forces, intermolecular interactions and surface forces in air, vacuum and in solution.

  8. Force reconstruction from tapping mode force microscopy experiments

    NASA Astrophysics Data System (ADS)

    Payam, Amir F.; Martin-Jimenez, Daniel; Garcia, Ricardo

    2015-05-01

    Fast, accurate, and robust nanomechanical measurements are intensely studied in materials science, applied physics, and molecular biology. Amplitude modulation force microscopy (tapping mode) is the most established nanoscale characterization technique of surfaces for air and liquid environments. However, its quantitative capabilities lag behind its high spatial resolution and robustness. We develop a general method to transform the observables into quantitative force measurements. The force reconstruction algorithm has been deduced on the assumption that the observables (amplitude and phase shift) are slowly varying functions of the tip-surface separation. The accuracy and applicability of the method is validated by numerical simulations and experiments. The method is valid for liquid and air environments, small and large free amplitudes, compliant and rigid materials, and conservative and non-conservative forces.

  9. Variance components in discrete force production tasks.

    PubMed

    Varadhan, S K M; Zatsiorsky, Vladimir M; Latash, Mark L

    2010-09-01

    The study addresses the relationships between task parameters and two components of variance, "good" and "bad", during multi-finger accurate force production. The variance components are defined in the space of commands to the fingers (finger modes) and refer to variance that does ("bad") and does not ("good") affect total force. Based on an earlier study of cyclic force production, we hypothesized that speeding-up an accurate force production task would be accompanied by a drop in the regression coefficient linking the "bad" variance and force rate such that variance of the total force remains largely unaffected. We also explored changes in parameters of anticipatory synergy adjustments with speeding-up the task. The subjects produced accurate ramps of total force over different times and in different directions (force-up and force-down) while pressing with the four fingers of the right hand on individual force sensors. The two variance components were quantified, and their normalized difference was used as an index of a total force stabilizing synergy. "Good" variance scaled linearly with force magnitude and did not depend on force rate. "Bad" variance scaled linearly with force rate within each task, and the scaling coefficient did not change across tasks with different ramp times. As a result, a drop in force ramp time was associated with an increase in total force variance, unlike the results of the study of cyclic tasks. The synergy index dropped 100-200 ms prior to the first visible signs of force change. The timing and magnitude of these anticipatory synergy adjustments did not depend on the ramp time. Analysis of the data within an earlier model has shown adjustments in the variance of a timing parameter, although these adjustments were not as pronounced as in the earlier study of cyclic force production. Overall, we observed qualitative differences between the discrete and cyclic force production tasks: Speeding-up the cyclic tasks was associated with

  10. Variance Components in Discrete Force Production Tasks

    PubMed Central

    SKM, Varadhan; Zatsiorsky, Vladimir M.; Latash, Mark L.

    2010-01-01

    The study addresses the relationships between task parameters and two components of variance, “good” and “bad”, during multi-finger accurate force production. The variance components are defined in the space of commands to the fingers (finger modes) and refer to variance that does (“bad”) and does not (“good”) affect total force. Based on an earlier study of cyclic force production, we hypothesized that speeding-up an accurate force production task would be accompanied by a drop in the regression coefficient linking the “bad” variance and force rate such that variance of the total force remains largely unaffected. We also explored changes in parameters of anticipatory synergy adjustments with speeding-up the task. The subjects produced accurate ramps of total force over different times and in different directions (force-up and force-down) while pressing with the four fingers of the right hand on individual force sensors. The two variance components were quantified, and their normalized difference was used as an index of a total force stabilizing synergy. “Good” variance scaled linearly with force magnitude and did not depend on force rate. “Bad” variance scaled linearly with force rate within each task, and the scaling coefficient did not change across tasks with different ramp times. As a result, a drop in force ramp time was associated with an increase in total force variance, unlike the results of the study of cyclic tasks. The synergy index dropped 100-200 ms prior to the first visible signs of force change. The timing and magnitude of these anticipatory synergy adjustments did not depend on the ramp time. Analysis of the data within an earlier model has shown adjustments in the variance of a timing parameter, although these adjustments were not as pronounced as in the earlier study of cyclic force production. Overall, we observed qualitative differences between the discrete and cyclic force production tasks: Speeding-up the cyclic

  11. Force decomposition in robot force control

    NASA Technical Reports Server (NTRS)

    Murphy, Steve H.; Wen, John T.

    1991-01-01

    The unit inconsistency in force decomposition has motivated an investigation into the force control problem in multiple-arm manipulation. Based on physical considerations, it is argued that the force that should be controlled is the internal force at the specified frame in the payload. This force contains contributions due to both applied forces from the arms and the inertial force from the payload and the arms. A least-squares scheme free of unit inconsistency for finding this internal force is presented. The force control issue is analyzed, and an integral force feedback controller is proposed.

  12. Effect of combined variation of force amplitude and rate of force development on the modulation characteristics of muscle activation during rapid isometric aiming force production.

    PubMed

    Park, Jin-Hoon; Stelmach, George E

    2006-01-01

    Studies of rapid target-directed limb movements have suggested that various control schemes can be defined by the modulation pattern of the muscle activity. The present study was aimed to address the question regarding the extent to which a simultaneous control of force amplitude, and rate of force development influences the modulation characteristics of muscle activation associated with producing rapid isometric aiming forces at the elbow joint. The subjects were instructed to produce rapid isometric force pulses to three different force amplitudes (15, 35, and 55% of their maximal voluntary contractions) under systematically varied force-rate conditions ranging from a fast and accurate force-rate to the fastest force-rate possible. The results showed that larger force amplitudes were achieved by increasing the rate of force development (d F/d t) while the time to peak force remained relatively constant. The magnitude of the electromyographic (EMG) burst systematically increased as a function of force amplitude at all force-rate conditions. The primary finding was that the characteristic of the EMG burst duration associated with different force amplitudes showed a significant difference among force-rate conditions. Under a fast and accurate force-rate condition, the duration of the agonist burst increased linearly with force amplitude. A gradual transition into a fixed duration of the agonist burst then was observed over the remaining three force-rate requirements. With increasingly faster force-rates, there were no changes in the agonist burst duration over three force amplitudes. These results indicate that the combined variations in force amplitude and force-rate examined relative to the most rapid force-rate influence the control patterns for the muscle activation during the fast isometric force production. Changes in the EMG modulation patterns observed are likely due to the constraints imposed by muscle contractile properties.

  13. Strategic forces

    SciTech Connect

    Not Available

    1990-10-01

    The Air Force now plans to retain the Minuteman II and III missile force through fiscal year 2008. Introduced about 25 years ago, these missiles have served as a nuclear deterrence for longer than initially envisioned. Over the extended lives of the systems, questions have arisen over their continued reliability and operational effectiveness, particularly the Minuteman II system. Limited flight testing, due to a shortage of test missiles, and reduced reliability caused by age-related deterioration of guidance computers and propulsion motors are two factors undermining confidence in the Minuteman II. GAO believes that the Minuteman II could be retired before 1998 as presently contemplated under an assumption of a Strategic Arms Reduction Talks agreement. An alternative would be to reinstate the Air Force's plans to replace deteriorated missile components and acquire the assets needed to resume flight testing at rates necessary to restore and sustain confidence in the system's performance through fiscal year 2008. However, on the basis of current test schedules, GAO is concerned that components to test the missile's warheads will be depleted by about 1999.

  14. Accurate measurement of streamwise vortices using dual-plane PIV

    NASA Astrophysics Data System (ADS)

    Waldman, Rye M.; Breuer, Kenneth S.

    2012-11-01

    Low Reynolds number aerodynamic experiments with flapping animals (such as bats and small birds) are of particular interest due to their application to micro air vehicles which operate in a similar parameter space. Previous PIV wake measurements described the structures left by bats and birds and provided insight into the time history of their aerodynamic force generation; however, these studies have faced difficulty drawing quantitative conclusions based on said measurements. The highly three-dimensional and unsteady nature of the flows associated with flapping flight are major challenges for accurate measurements. The challenge of animal flight measurements is finding small flow features in a large field of view at high speed with limited laser energy and camera resolution. Cross-stream measurement is further complicated by the predominately out-of-plane flow that requires thick laser sheets and short inter-frame times, which increase noise and measurement uncertainty. Choosing appropriate experimental parameters requires compromise between the spatial and temporal resolution and the dynamic range of the measurement. To explore these challenges, we do a case study on the wake of a fixed wing. The fixed model simplifies the experiment and allows direct measurements of the aerodynamic forces via load cell. We present a detailed analysis of the wake measurements, discuss the criteria for making accurate measurements, and present a solution for making quantitative aerodynamic load measurements behind free-flyers.

  15. Eccentric Inspirals with Self-Force and Spin-Force

    NASA Astrophysics Data System (ADS)

    Evans, Charles; Osburn, Thomas; Warburton, Niels

    2017-01-01

    Eccentric inspirals of a small mass about a more massive Schwarzschild black hole (EMRIs or IMRIs) are calculated using the gravitational self-force and the Mathisson-Papapetrou spin-force. These calculations include all dissipative and conservative effects that are first order in the mass ratio. We compute systems with initial eccentricities as high as e = 0.8, initial separations as large as 50 M, and arbitrary spin orientations. Including the spin-force causes the orbital plane to precess. Inspirals are calculated using an osculating-orbits scheme that is driven by self-force data from a hybrid self-force code and time-domain spin-force calculations. The hybrid approach uses both self-force data from a Lorenz gauge code and highly accurate flux data from a Regge-Wheeler-Zerilli code, allowing the hybrid model to track orbital phase of inspirals to within 0.1 radians or better over hundreds or thousands of orbits. NSF PHY15-06182.

  16. Mill profiler machines soft materials accurately

    NASA Technical Reports Server (NTRS)

    Rauschl, J. A.

    1966-01-01

    Mill profiler machines bevels, slots, and grooves in soft materials, such as styrofoam phenolic-filled cores, to any desired thickness. A single operator can accurately control cutting depths in contour or straight line work.

  17. Hybrid position/force control of manipulators

    NASA Technical Reports Server (NTRS)

    Raibert, M. H.; Craig, J. J.

    1980-01-01

    A new conceptually simple approach to controlling compliant motions of a robot manipulator is presented. The 'hybrid' technique described combines force and torque information with positional data to satisfy simultaneous position and force trajectory constraints specified in a convenient task related coordinate system. Analysis, simulation, and experiments are used to evaluate the controller's ability to execute trajectories using feedback from a force sensing wrist and from position sensors found in the manipulator joints. The results show that the method achieves stable, accurate control of force and position trajectories for a variety of test conditions.

  18. Coriolis Force

    NASA Astrophysics Data System (ADS)

    Marciuc, Daly; Solschi, Viorel

    2017-04-01

    Understanding the Coriolis effect is essential for explaining the movement of air masses and ocean currents. The lesson we propose aims to familiarize students with the manifestation of the Coriolis effect. Students are guided to build, using the GeoGebra software, a simulation of the motion of a body, related to a rotating reference system. The mathematical expression of the Coriolis force is deduced, for particular cases, and the Foucault's pendulum is presented and explained. Students have the opportunity to deepen the subject, by developing materials related to topics such as: • Global Wind Pattern • Ocean Currents • Coriolis Effect in Long Range Shooting • Finding the latitude with a Foucault Pendulum

  19. CALCULATING ACCURATE SHUFFLER COUNT RATES WITH APPLICATIONS

    SciTech Connect

    P. M. RINARD

    2001-05-01

    Shufflers are used to assay uranium and other fissile elements in bulk and waste quantities. They normally require physical calibration standards to achieve the most-accurate results, but such standards are generally rare and expensive, so inappropriate standards are often used out of necessity. This paper reports on a new technique that has been developed to calculate accurate count rates, in effect simulating physical standards with rapid and inexpensive calculations. The technique has been benchmarked on existing oxide and metallic standards, used to study a variety of conditions for which standards do not exist, and applied to inventory items needing verification measurements even though appropriate physical standards do not exist.

  20. Molecular calipers for highly precise and accurate measurements of single-protein mechanics.

    PubMed

    Wang, Yanyan; Hu, Xiaodong; Bu, Tianjia; Hu, Chunguang; Hu, Xiaotang; Li, Hongbin

    2014-03-18

    Single-molecule atomic force spectroscopy (AFM) has evolved into a powerful technique toward elucidating conformational changes in proteins when exposed to applied force. AFM technologies that are currently available allow for precise measurements of proteins length changes during conformational transitions. However, because of systematic errors in piezo calibration as well as errors originating from fitting experimental data using a worm-like chain model of polymer elasticity, high-precision measurements of length changes do not necessarily translate into highly accurate measurements of length changes, resulting in uncertainty in obtaining structural information about protein conformational changes. Actually achieving highly precise and accurate force spectroscopy measurements remains a challenge. Here, we report a protein caliper method that eliminates systematic errors that occur during single-protein force spectroscopy measurements, and thus achieves highly precise and accurate length change measurements in protein mechanics studies. To do this, a series of loop elongation variants of the small protein GB1, which differ by 2, 5, 10, 15, and 24 amino acid residues, were engineered. Differential measurements of amino acid residue length obtained from different AFM setups result in a precise measure of the length of a single amino acid residue, which varies within different AFM setups because of systematic error between individual AFM piezoelectric calibrations. The measured length of a single amino acid residue from a given AFM setup is then used as a caliper for the given setup to eliminate systematic error, leading to highly accurate and precise measurements of the number of amino acid residues that are involved in a conformation change of a polypeptide chain. We further developed a more precise, robust, and model-free method to determine the apparent size of single amino acid residues and conformational changes of proteins. This method improves the accuracy of

  1. Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm(-1) studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations.

    PubMed

    Tasinato, Nicola; Regini, Giorgia; Stoppa, Paolo; Pietropolli Charmet, Andrea; Gambi, Alberto

    2012-06-07

    Difluoromethane (CH(2)F(2), HFC-32) is a molecule used in refrigerant mixtures as a replacement of the more environmentally hazardous, ozone depleting, chlorofluorocarbons. On the other hand, presenting strong vibration-rotation bands in the 9 μm atmospheric window, it is a greenhouse gas which contributes to global warming. In the present work, the vibrational and ro-vibrational properties of CH(2)F(2), providing basic data for its atmospheric modeling, are studied in detail by coupling medium resolution Fourier transform infrared spectroscopy to high-level electronic structure ab initio calculations. Experimentally a full quantum assignment and accurate integrated absorption cross sections are obtained up to 5000 cm(-1). Ab initio calculations are carried out by using CCSD(T) theory and large basis sets of either the correlation consistent or atomic natural orbital hierarchies. By using vibrational perturbation theory to second order a complete set of vibrational and ro-vibrational parameters is derived from the ab initio quartic anharmonic force fields, which well compares with the spectroscopic constants retrieved experimentally. An excellent agreement between theory and experiment is achieved for vibrational energy levels and integrated absorption cross sections: transition frequencies up to four quanta of vibrational excitation are reproduced with a root mean square deviation (RMSD) of 7 cm(-1) while intensities are predicted within few km mol(-1) from the experiment. Basis set performances and core correlation effects are discussed throughout the paper. Particular attention is focused in the understanding of the anharmonic couplings which rule the vibrational dynamics of the |ν(1)>, |2ν(8)>, |2ν(2)> three levels interacting system. The reliability of the potential energy and dipole moment surfaces in reproducing the vibrational eigenvalues and intensities as well as in modeling the vibrational and ro-vibrational mixings over the whole 400-5000 cm(-1

  2. Accurate modelling of the elastic behavior of a continuum with the Discrete Element Method

    NASA Astrophysics Data System (ADS)

    Celigueta, M. A.; Latorre, S.; Arrufat, F.; Oñate, E.

    2017-08-01

    The Discrete Element Method (DEM) has been used for modelling continua, like concrete or rocks. However, it requires a big calibration effort, even to capture just the linear elastic behavior of a continuum modelled via the classical force-displacement relationships at the contact interfaces between particles. In this work we propose a new way for computing the contact forces between discrete particles. The newly proposed forces take into account the surroundings of the contact, not just the contact itself. This brings in the missing terms that provide an accurate approximation to an elastic continuum, and avoids calibration of the DEM parameters for the purely linear elastic range.

  3. Fast evaluation of polarizable forces.

    PubMed

    Wang, Wei; Skeel, Robert D

    2005-10-22

    Polarizability is considered to be the single most significant development in the next generation of force fields for biomolecular simulations. However, the self-consistent computation of induced atomic dipoles in a polarizable force field is expensive due to the cost of solving a large dense linear system at each step of a simulation. This article introduces methods that reduce the cost of computing the electrostatic energy and force of a polarizable model from about 7.5 times the cost of computing those of a nonpolarizable model to less than twice the cost. This is probably sufficient for the routine use of polarizable forces in biomolecular simulations. The reduction in computing time is achieved by an efficient implementation of the particle-mesh Ewald method, an accurate and robust predictor based on least-squares fitting, and non-stationary iterative methods whose fast convergence is accelerated by a simple preconditioner. Furthermore, with these methods, the self-consistent approach with a larger timestep is shown to be faster than the extended Lagrangian approach. The use of dipole moments from previous timesteps to calculate an accurate initial guess for iterative methods leads to an energy drift, which can be made acceptably small. The use of a zero initial guess does not lead to perceptible energy drift if a reasonably strict convergence criterion for the iteration is imposed.

  4. Accurate pointing of tungsten welding electrodes

    NASA Technical Reports Server (NTRS)

    Ziegelmeier, P.

    1971-01-01

    Thoriated-tungsten is pointed accurately and quickly by using sodium nitrite. Point produced is smooth and no effort is necessary to hold the tungsten rod concentric. The chemically produced point can be used several times longer than ground points. This method reduces time and cost of preparing tungsten electrodes.

  5. Modeling of Needle-Tissue Interaction Forces During Surgical Suturing

    PubMed Central

    Jackson, Russell C.; Çavuşoğlu, M. Cenk

    2013-01-01

    This paper presents a model of needle tissue interaction forces that a rigid suture needle experiences during surgical suturing. The needle-tissue interaction forces are modeled as the sum of lumped parameters. The model has three main components; friction, tissue compression, and cutting forces. The tissue compression force uses the area that the needle sweeps out during a suture to estimate both the force magnitude and force direction. The area that the needle sweeps out is a direct result of driving the needle in a way that does not follow the natural curve of the needle. The friction force is approximated as a static friction force along the shaft of the needle. The cutting force acts only on the needle tip. The resulting force and torque model is experimentally validated using a tissue phantom. These results indicate that the proposed lumped parameter model is capable of accurately modeling the forces experienced during a suture. PMID:24683499

  6. Evidence for exclusive γγ → W+W– production and constraints on anomalous quartic gauge couplings in pp collisions at $$\\sqrt{s} = 7 $$ and 8 TeV

    DOE PAGES

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; ...

    2016-08-22

    A search for exclusive or quasi-exclusive γγ → Wmore » $$^{+}$$ W$$^{–}$$ production, via pp → p$$^{(*)}$$ W$$^{+}$$ W$$^{–}$$ p$$^{(*)}$$ → p$$^{(*)}$$ μ$$^{±}$$e$$^{∓}$$ p$$^{(*)}$$ at $$ \\sqrt{s}=8 $$ TeV, is reported using data corresponding to an integrated luminosity of 19.7 fb$$^{–1}$$. Events are selected by requiring the presence of an electron-muon pair with large transverse momentum p$$_{T}$$(μ$$^{±}$$e$$^{∓}$$) > 30 GeV, and no associated charged particles detected from the same vertex. The 8 TeV results are combined with the previous 7 TeV results (obtained for 5.05 fb$$^{–1}$$ of data). In the signal region, 13 (2) events are observed over an expected background of 3.9 ± 0.6 (0.84 ± 0.15) events for 8 (7) TeV, resulting in a combined excess of 3.4σ over the background-only hypothesis. The observed yields and kinematic distributions are compatible with the standard model prediction for exclusive and quasi-exclusive γγ → W$$^{+}$$ W$$^{–}$$ production. Here, upper limits on the anomalous quartic gauge coupling operators a$$_{0,C}^{W}$$ (dimension-6) and f$$_{M0,1,2,3}$$ (dimension-8), the most stringent to date, are derived from the measured dilepton transverse momentum spectrum.« less

  7. Evidence for exclusive γγ → W+W production and constraints on anomalous quartic gauge couplings in pp collisions at $\\sqrt{s} = 7 $ and 8 TeV

    SciTech Connect

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Knünz, V.; König, A.; Krammer, M.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rad, N.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Schöfbeck, R.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C. -E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Knutsson, A.; Lauwers, J.; Luyckx, S.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D’Hondt, J.; Daci, N.; De Bruyn, I.; Deroover, K.; Heracleous, N.; Keaveney, J.; Lowette, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. 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A.; Brito, L.; Correa Martins Junior, M.; Hamer, M.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; De Souza Santos, A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Cheng, T.; Du, R.; Jiang, C. H.; Leggat, D.; Plestina, R.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Asawatangtrakuldee, C.; Ban, Y.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Kadija, K.; Luetic, J.; Micanovic, S.; Sudic, L.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M.; Assran, Y.; Ellithi Kamel, A.; Mahrous, A.; Mohamed, A.; Calpas, B.; Kadastik, M.; Murumaa, M.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Peltola, T.; 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.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Zghiche, A.; Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Davignon, O.; Filipovic, N.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Mastrolorenzo, L.; Miné, P.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Agram, J. -L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J. -M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J. -C.; Gelé, D.; Goerlach, U.; Goetzmann, C.; Le Bihan, A. -C.; Merlin, J. A.; Skovpen, K.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Bouvier, E.; Carrillo Montoya, C. 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J.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weber, M.; Weiler, T.; Williamson, S.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Psallidas, A.; Topsis-Giotis, I.; Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Tziaferi, E.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Loukas, N.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Strologas, J.; Bencze, G.; Hajdu, C.; Hazi, A.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Molnar, J.; Szillasi, Z.; Bartók, M.; Makovec, A.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Choudhury, S.; Mal, P.; Mandal, K.; Sahoo, D. K.; Sahoo, N.; Swain, S. K.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Chawla, R.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kumar, R.; Mehta, A.; Mittal, M.; Singh, J. B.; Walia, G.; Kumar, Ashok; Bhardwaj, A.; Choudhary, B. C.; Garg, R. 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A.; Khurshid, T.; Shoaib, M.; Waqas, M.; Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Górski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Traczyk, P.; Zalewski, P.; Brona, G.; Bunkowski, K.; Byszuk, A.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.; Walczak, M.; Bargassa, P.; Beirão Da Cruz E Silva, C.; Di Francesco, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Hollar, J.; Leonardo, N.; Lloret Iglesias, L.; Nguyen, F.; Rodrigues Antunes, J.; Seixas, J.; Toldaiev, O.; Vadruccio, D.; Varela, J.; Vischia, P.; Afanasiev, S.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Shulha, S.; Skatchkov, N.; 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.; Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Karneyeu, A.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Pozdnyakov, I.; Safronov, G.; Spiridonov, A.; Vlasov, E.; Zhokin, A.; Chadeeva, M.; Chistov, R.; Danilov, M.; Rusinov, V.; Tarkovskii, E.; Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Baskakov, A.; Belyaev, A.; Boos, E.; Ershov, A.; Gribushin, A.; Khein, L.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Lukina, O.; Miagkov, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.; 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.; Cirkovic, P.; Devetak, D.; Milosevic, J.; Rekovic, V.; Alcaraz Maestre, J.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; 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.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Palencia Cortezon, E.; Vizan Garcia, J. M.; Cabrillo, I. J.; Calderon, A.; Castiñeiras De Saa, J. R.; Curras, E.; De Castro Manzano, P.; Fernandez, M.; Garcia-Ferrero, J.; Gomez, G.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Piedra Gomez, J.; Rodrigo, T.; Rodríguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Trevisani, N.; 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.; Berruti, G. M.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Breuker, H.; Camporesi, T.; Castello, R.; Cepeda, M.; Cerminara, G.; D’Alfonso, M.; d’Enterria, D.; Dabrowski, A.; Daponte, V.; David, A.; De Gruttola, M.; De Guio, F.; De Roeck, A.; Di Marco, E.; Dobson, M.; Dordevic, M.; Dorney, B.; du Pree, T.; Duggan, D.; Dünser, M.; Dupont, N.; Elliott-Peisert, A.; Franzoni, G.; Fulcher, J.; Funk, W.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Glege, F.; Guida, R.; Gundacker, S.; Guthoff, M.; Hammer, J.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kirschenmann, H.; Kortelainen, M. J.; Kousouris, K.; Lecoq, P.; Lourenço, C.; Lucchini, M. T.; Magini, N.; Malgeri, L.; Mannelli, M.; Martelli, A.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Nemallapudi, M. 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T.; Meister, D.; Micheli, F.; Musella, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pata, J.; Pauss, F.; Perrin, G.; Perrozzi, L.; Quittnat, M.; Rossini, M.; Schönenberger, M.; Starodumov, A.; Takahashi, M.; Tavolaro, V. R.; Theofilatos, K.; Wallny, R.; Aarrestad, T. K.; Amsler, C.; Caminada, L.; Canelli, M. F.; Chiochia, V.; De Cosa, A.; Galloni, C.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Ngadiuba, J.; Pinna, D.; Rauco, G.; Robmann, P.; Salerno, D.; Yang, Y.; Chen, K. H.; Doan, T. H.; Jain, Sh.; Khurana, R.; Konyushikhin, M.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Pozdnyakov, A.; Yu, S. S.; Kumar, Arun; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Fiori, F.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Liu, Y. F.; Lu, R. -S.; Miñano Moya, M.; Petrakou, E.; Tsai, J. f.; Tzeng, Y. M.; Asavapibhop, B.; Kovitanggoon, K.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.; Adiguzel, A.; Damarseckin, S.; Demiroglu, Z. S.; Dozen, C.; Dumanoglu, I.; Girgis, S.; Gokbulut, G.; Guler, Y.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Kayis Topaksu, A.; Onengut, G.; Ozdemir, K.; Ozturk, S.; Sunar Cerci, D.; Tali, B.; Topakli, H.; Zorbilmez, C.; Bilin, B.; Bilmis, S.; Isildak, B.; Karapinar, G.; Yalvac, M.; Zeyrek, M.; Gülmez, E.; Kaya, M.; Kaya, O.; Yetkin, E. A.; Yetkin, T.; Cakir, A.; Cankocak, K.; Sen, S.; Vardarlı, F. I.; Grynyov, B.; Levchuk, L.; Sorokin, P.; Aggleton, R.; Ball, F.; Beck, L.; Brooke, J. J.; Burns, D.; 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, D.; Smith, V. J.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Calligaris, L.; Cieri, D.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. 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I.; Henderson, C.; Rumerio, P.; Arcaro, D.; Avetisyan, A.; Bose, T.; Gastler, D.; Rankin, D.; Richardson, C.; Rohlf, J.; Sulak, L.; Zou, D.; Alimena, J.; Benelli, G.; Berry, E.; Cutts, D.; Ferapontov, A.; Garabedian, A.; Hakala, J.; Heintz, U.; Jesus, O.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Piperov, S.; Sagir, S.; Syarif, R.; Breedon, R.; Breto, G.; Calderon De La Barca Sanchez, M.; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Funk, G.; Gardner, M.; Ko, W.; Lander, R.; Mclean, C.; 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.; Florent, A.; Hauser, J.; Ignatenko, M.; Saltzberg, D.; Takasugi, E.; Valuev, V.; Weber, M.; Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Ivova PANEVA, M.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. 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T.; Gaz, A.; Jensen, F.; Johnson, A.; Krohn, M.; Mulholland, T.; Nauenberg, U.; 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.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Sun, W.; Tan, S. M.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Wittich, P.; Abdullin, S.; Albrow, M.; Apollinari, G.; Banerjee, S.; 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.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Lammel, S.; Lewis, J.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; Lopes De Sá, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O’Dell, V.; Pedro, K.; Prokofyev, O.; Rakness, G.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Stoynev, S.; Strobbe, N.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Wang, M.; Weber, H. A.; Whitbeck, A.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Brinkerhoff, A.; Carnes, A.; Carver, M.; Curry, D.; Das, S.; Field, R. D.; Furic, I. K.; Konigsberg, J.; Korytov, A.; Kotov, K.; Ma, P.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Rank, D.; Rossin, R.; Shchutska, L.; Snowball, M.; Sperka, D.; Terentyev, N.; Thomas, L.; Wang, J.; Wang, S.; Yelton, J.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Ackert, A.; Adams, J. R.; Adams, T.; Askew, A.; Bein, S.; Bochenek, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Khatiwada, A.; Prosper, H.; Weinberg, M.; Baarmand, M. M.; Bhopatkar, V.; Colafranceschi, S.; Hohlmann, M.; Kalakhety, H.; Noonan, D.; Roy, T.; 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.; Turner, P.; Varelas, N.; Wu, Z.; Zakaria, M.; Zhang, J.; Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tiras, E.; Wetzel, J.; Yi, K.; Anderson, I.; Barnett, B. A.; Blumenfeld, B.; Cocoros, A.; Eminizer, N.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Osherson, M.; Roskes, J.; Sarica, U.; Swartz, M.; Xiao, M.; Xin, Y.; You, C.; Baringer, P.; Bean, A.; Bruner, C.; Kenny, R. P.; Majumder, D.; Malek, M.; Mcbrayer, W.; Murray, M.; Sanders, S.; Stringer, R.; Wang, Q.; Ivanov, A.; Kaadze, K.; Khalil, S.; Makouski, M.; Maravin, Y.; Mohammadi, A.; Saini, L. K.; Skhirtladze, N.; Toda, S.; Lange, D.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Kunkle, J.; Lu, Y.; Mignerey, A. C.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Apyan, A.; Barbieri, R.; Baty, A.; Bi, R.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; Demiragli, Z.; Di Matteo, L.; Gomez Ceballos, G.; Goncharov, M.; Gulhan, D.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Krajczar, K.; Lai, Y. S.; Lee, Y. -J.; Levin, A.; Luckey, P. D.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Sumorok, K.; Tatar, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Zhukova, V.; Benvenuti, A. C.; Dahmes, B.; Evans, A.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bartek, R.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Knowlton, D.; Kravchenko, I.; Meier, F.; Monroy, J.; Ratnikov, F.; Siado, J. E.; Snow, G. R.; Alyari, M.; Dolen, J.; George, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wang, R. -J.; Wood, D.; Zhang, J.; Bhattacharya, S.; Hahn, K. A.; Kubik, A.; Low, J. F.; Mucia, N.; Odell, N.; Pollack, B.; Schmitt, M.; Sung, K.; Trovato, M.; Velasco, M.; Dev, N.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Planer, M.; Reinsvold, A.; Ruchti, R.; Rupprecht, N.; Smith, G.; Taroni, S.; 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.; Ji, W.; Ling, T. Y.; Liu, B.; Luo, W.; Puigh, D.; Rodenburg, M.; Winer, B. L.; Wulsin, H. W.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Palmer, C.; Piroué, P.; Stickland, D.; Tully, C.; Zuranski, A.; Malik, S.; Barker, A.; Barnes, V. E.; Benedetti, D.; Bortoletto, D.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, A. W.; Jung, K.; Kumar, A.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Sun, J.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.; Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Hindrichs, O.; Khukhunaishvili, A.; Lo, K. H.; Tan, P.; Verzetti, M.; Ciesielski, R.; Chou, J. P.; Contreras-Campana, E.; Ferencek, D.; Gershtein, Y.; Halkiadakis, E.; Heindl, M.; Hidas, D.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Lath, A.; Nash, K.; Saka, H.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Foerster, M.; Riley, G.; Rose, K.; Spanier, S.; Thapa, K.; Bouhali, O.; Castaneda Hernandez, A.; Celik, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Huang, T.; Kamon, T.; Krutelyov, V.; Mueller, R.; Osipenkov, I.; Pakhotin, Y.; Patel, R.; Perloff, A.; Rathjens, D.; Rose, A.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Undleeb, S.; Volobouev, I.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Ni, H.; Sheldon, P.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Sun, X.; Wang, Y.; Wolfe, E.; Wood, J.; Xia, F.; Clarke, C.; Harr, R.; Karchin, P. E.; Kottachchi Kankanamge Don, C.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Carlsmith, D.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ruggles, T.; Sarangi, T.; Savin, A.; Sharma, A.; Smith, N.; Smith, W. H.; Taylor, D.; Verwilligen, P.; Woods, N.

    2016-08-22

    A search for exclusive or quasi-exclusive γγ → W$^{+}$ W$^{–}$ production, via pp → p$^{(*)}$ W$^{+}$ W$^{–}$ p$^{(*)}$ → p$^{(*)}$ μ$^{±}$e$^{∓}$ p$^{(*)}$ at $ \\sqrt{s}=8 $ TeV, is reported using data corresponding to an integrated luminosity of 19.7 fb$^{–1}$. Events are selected by requiring the presence of an electron-muon pair with large transverse momentum p$_{T}$(μ$^{±}$e$^{∓}$) > 30 GeV, and no associated charged particles detected from the same vertex. The 8 TeV results are combined with the previous 7 TeV results (obtained for 5.05 fb$^{–1}$ of data). In the signal region, 13 (2) events are observed over an expected background of 3.9 ± 0.6 (0.84 ± 0.15) events for 8 (7) TeV, resulting in a combined excess of 3.4σ over the background-only hypothesis. The observed yields and kinematic distributions are compatible with the standard model prediction for exclusive and quasi-exclusive γγ → W$^{+}$ W$^{–}$ production. Here, upper limits on the anomalous quartic gauge coupling operators a$_{0,C}^{W}$ (dimension-6) and f$_{M0,1,2,3}$ (dimension-8), the most stringent to date, are derived from the measured dilepton transverse momentum spectrum.

  8. Measurement of the cross section for electroweak production of Zγ in association with two jets and constraints on anomalous quartic gauge couplings in proton–proton collisions at s=8 TeV

    DOE PAGES

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; ...

    2017-05-02

    Here, a measurement is presented of the cross section for the electroweak production of a Z boson and a photon in association with two jets in proton-proton collisions atmore » $$\\sqrt{s}$$= 8 TeV. The Z bosons are identified through their decays to electron or muon pairs. The measurement is based on data collected with the CMS detector corresponding to an integrated luminosity of 19.7 inverse femtobarns. The electroweak contribution has a significance of 3.0 standard deviations, and the measured fiducial cross section is 1.86 $$+0.90\\atop{-0.75}$$ (stat)$$+0.34\\atop{-0.26}$$ (syst) ± 0.05 (lumi) fb, while the summed electroweak and quantum chromodynamic total cross section in the same region is observed to be 5.94 $$+1.53\\atop{-1.35}$$ (stat) $$+0.43\\atop{-0.37}$$ (syst) ± 0.13 (lumi) fb. Both measurements are consistent with the leading-order standard model predictions. Limits on anomalous quartic gauge couplings are set based on the Zγ mass distribution.« less

  9. Measurement of electroweak-induced production of Wγ with two jets in pp collisions at √{s}=8 TeV and constraints on anomalous quartic gauge couplings

    NASA Astrophysics Data System (ADS)

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; König, A.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rad, N.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; De Wolf, E. A.; Janssen, X.; Lauwers, J.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; Daci, N.; De Bruyn, I.; Deroover, K.; Heracleous, N.; Lowette, S.; Moortgat, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.; Brun, H.; Caillol, C.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Léonard, A.; Luetic, J.; Maerschalk, T.; Marinov, A.; Randle-conde, A.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Yonamine, R.; Zenoni, F.; Zhang, F.; Cimmino, A.; Cornelis, T.; Dobur, D.; Fagot, A.; Garcia, G.; Gul, M.; Poyraz, D.; Salva, S.; Schöfbeck, R.; Tytgat, M.; Van Driessche, W.; Yazgan, E.; Zaganidis, N.; Bakhshiansohi, H.; Beluffi, C.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; De Visscher, S.; Delaere, C.; Delcourt, M.; Francois, B.; Giammanco, A.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Nuttens, C.; Piotrzkowski, K.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Wertz, S.; Beliy, N.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; Da Silveira, G. G.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Chen, Y.; Cheng, T.; Jiang, C. H.; Leggat, D.; Liu, Z.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Zhao, J.; Ban, Y.; Chen, G.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Yang, D.; Zhang, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; González Hernández, C. F.; Ruiz Alvarez, J. D.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Sculac, T.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Ferencek, D.; Kadija, K.; Micanovic, S.; Sudic, L.; Susa, T.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M.; Carrera Jarrin, E.; Abdelalim, A. A.; Mohammed, Y.; Salama, E.; Calpas, B.; Kadastik, M.; Murumaa, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Peltola, T.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. 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M.; Gunnellini, P.; Harb, A.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Keaveney, J.; Kieseler, J.; Kleinwort, C.; Korol, I.; Krücker, D.; Lange, W.; Lelek, A.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Mankel, R.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Ntomari, E.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Roland, B.; Sahin, M. Ö.; Saxena, P.; Schoerner-Sadenius, T.; Seitz, C.; Spannagel, S.; Stefaniuk, N.; Trippkewitz, K. D.; Van Onsem, G. P.; Walsh, R.; Wissing, C.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Dreyer, T.; Garutti, E.; Gonzalez, D.; Haller, J.; Hoffmann, M.; Junkes, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Lapsien, T.; Lenz, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Poehlsen, J.; Sander, C.; Scharf, C.; Schleper, P.; Schmidt, A.; Schumann, S.; Schwandt, J.; Stadie, H.; Steinbrück, G.; Stober, F. 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M.; Fahim, A.; 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.; Caputo, C.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; 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. 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V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Shulha, S.; Skatchkov, N.; Smirnov, V.; Tikhonenko, E.; Voytishin, N.; Zarubin, A.; Chtchipounov, L.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Kuznetsova, E.; Murzin, V.; Oreshkin, V.; Sulimov, V.; Vorobyev, A.; Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Karneyeu, A.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Pozdnyakov, I.; Safronov, G.; Spiridonov, A.; Toms, M.; Vlasov, E.; Zhokin, A.; Bylinkin, A.; Chadeeva, M.; Popova, E.; Tarkovskii, E.; Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Rusakov, S. V.; Terkulov, A.; Baskakov, A.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Miagkov, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.; Blinov, V.; Skovpen, Y.; Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Elumakhov, D.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.; Adzic, P.; Cirkovic, P.; Devetak, D.; Dordevic, M.; Milosevic, J.; Rekovic, V.; Alcaraz Maestre, J.; Barrio Luna, M.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; 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.; de Trocóniz, J. F.; Missiroli, M.; Moran, D.; Cuevas, J.; Fernandez Menendez, J.; Gonzalez Caballero, I.; González Fernández, J. R.; Palencia Cortezon, E.; Sanchez Cruz, S.; Suárez Andrés, I.; Vizan Garcia, J. M.; Cabrillo, I. J.; Calderon, A.; Castiñeiras De Saa, J. R.; Curras, E.; Fernandez, M.; Garcia-Ferrero, J.; Gomez, G.; Lopez Virto, A.; Marco, J.; Martinez Rivero, C.; Matorras, F.; Piedra Gomez, J.; Rodrigo, T.; Ruiz-Jimeno, A.; Scodellaro, L.; Trevisani, N.; Vila, I.; Vilar Cortabitarte, R.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Camporesi, T.; Castello, R.; Cepeda, M.; Cerminara, G.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; Daponte, V.; David, A.; De Gruttola, M.; De Guio, F.; De Roeck, A.; Di Marco, E.; Dobson, M.; Dorney, B.; du Pree, T.; Duggan, D.; Dünser, M.; Dupont, N.; Elliott-Peisert, A.; Fartoukh, S.; Franzoni, G.; Fulcher, J.; Funk, W.; Gigi, D.; Gill, K.; Girone, M.; Glege, F.; Gulhan, D.; Gundacker, S.; Guthoff, M.; Hammer, J.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kirschenmann, H.; Knünz, V.; Kornmayer, A.; Kortelainen, M. J.; Kousouris, K.; Krammer, M.; Lecoq, P.; Lourenço, C.; Lucchini, M. 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F.; Sumorok, K.; Tatar, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Zhukova, V.; Benvenuti, A. C.; Chatterjee, R. M.; Evans, A.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bartek, R.; Bloom, K.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Kravchenko, I.; Malta Rodrigues, A.; Meier, F.; Monroy, J.; Siado, J. E.; Snow, G. R.; Stieger, B.; Alyari, M.; Dolen, J.; George, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Kumar, A.; Parker, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Baumgartel, D.; Hortiangtham, A.; Knapp, B.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wang, R.-J.; Wood, D.; Bhattacharya, S.; Hahn, K. A.; Kubik, A.; Kumar, A.; Low, J. 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W.; Barria, P.; Cox, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Wang, Y.; Wolfe, E.; Xia, F.; Clarke, C.; Harr, R.; Karchin, P. E.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ruggles, T.; Savin, A.; Sharma, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.

    2017-06-01

    A measurement of electroweak-induced production of Wγ and two jets is performed, where the W boson decays leptonically. The data used in the analysis correspond to an integrated luminosity of 19.7 fb-1 collected by the CMS experiment in √{s}=8 TeV proton-proton collisions produced at the LHC. Candidate events are selected with exactly one muon or electron, missing transverse momentum, one photon, and two jets with large rapidity separation. An excess over the hypothesis of the standard model without electroweak production of Wγ with two jets is observed with a significance of 2.7 standard deviations. The cross section measured in the fiducial region is 10 .8 ± 4 .1(stat) ± 3 .4(syst) ± 0 .3(lumi) fb, which is consistent with the standard model electroweak prediction. The total cross section for Wγ in association with two jets in the same fiducial region is measured to be 23 .2 ± 4 .3(stat) ± 1 .7(syst) ± 0 .6(lumi) fb, which is consistent with the standard model prediction from the combination of electroweak and quantum chromodynamics-induced processes. No deviations are observed from the standard model predictions and experimental limits on anomalous quartic gauge couplings f M,0-7 /Λ4, f T,0-2 /Λ4, and f T,5-7 /Λ4 are set at 95% confidence level. [Figure not available: see fulltext.

  10. Measurement of the cross section for electroweak production of Zγ in association with two jets and constraints on anomalous quartic gauge couplings in proton-proton collisions at √{ s} = 8 TeV

    NASA Astrophysics Data System (ADS)

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M.; Gunnellini, P.; Harb, A.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Keaveney, J.; Kieseler, J.; Kleinwort, C.; Korol, I.; Lange, W.; Lelek, A.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Mankel, R.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Ntomari, E.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Roland, B.; Sahin, M. Ö.; Saxena, P.; Schoerner-Sadenius, T.; Seitz, C.; Spannagel, S.; Stefaniuk, N.; Trippkewitz, K. D.; Van Onsem, G. P.; Walsh, R.; Wissing, C.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Dreyer, T.; Garutti, E.; Goebel, K.; Gonzalez, D.; Haller, J.; Hoffmann, M.; Junkes, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Lapsien, T.; Lenz, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Ott, J.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Poehlsen, J.; Sander, C.; Scharf, C.; Schleper, P.; Schmidt, A.; Schumann, S.; Schwandt, J.; Stadie, H.; Steinbrück, G.; Stober, F. M.; Stöver, M.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Vormwald, B.; Barth, C.; Baus, C.; Berger, J.; Butz, E.; Chwalek, T.; Colombo, F.; De Boer, W.; Dierlamm, A.; Fink, S.; Friese, R.; Giffels, M.; Gilbert, A.; Haitz, D.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Katkov, I.; Lobelle Pardo, P.; Maier, B.; Mildner, H.; Mozer, M. U.; Müller, T.; Müller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Röcker, S.; Roscher, F.; Schröder, M.; Sieber, G.; Simonis, H. J.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weber, M.; Weiler, T.; Williamson, S.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Topsis-Giotis, I.; Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Tziaferi, E.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Loukas, N.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Filipovic, N.; Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Makovec, A.; Molnar, J.; Szillasi, Z.; Bartók, M.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Bahinipati, S.; Choudhury, S.; Mal, P.; Mandal, K.; Nayak, A.; Sahoo, D. K.; Sahoo, N.; Swain, S. K.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Chawla, R.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kumar, R.; Mehta, A.; Mittal, M.; Singh, J. B.; Walia, G.; Kumar, Ashok; Bhardwaj, A.; Choudhary, B. C.; Garg, R. 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M.; Fahim, A.; 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.; Caputo, C.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; 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. 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M.; Lanza, G.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.; Sciacca, C.; Thyssen, F.; Azzi, P.; Bacchetta, N.; Benato, L.; Bisello, D.; Boletti, A.; Carlin, R.; Carvalho Antunes De Oliveira, A.; Checchia, P.; Dall'Osso, M.; De Castro Manzano, P.; Dorigo, T.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Zanetti, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.; Braghieri, A.; Magnani, A.; Montagna, P.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vai, I.; Vitulo, P.; Alunni Solestizi, L.; Bilei, G. M.; Ciangottini, D.; Fanò, L.; Lariccia, P.; Leonardi, R.; Mantovani, G.; Menichelli, M.; Saha, A.; Santocchia, A.; Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Donato, S.; Fedi, G.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Spagnolo, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Barone, L.; Cavallari, F.; Cipriani, M.; D'imperio, G.; Del Re, D.; Diemoz, M.; Gelli, S.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Organtini, G.; Paramatti, R.; Preiato, F.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bartosik, N.; Bellan, R.; Biino, C.; Cartiglia, N.; Cenna, F.; Costa, M.; Covarelli, R.; Degano, A.; Demaria, N.; Finco, L.; Kiani, B.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Monteil, E.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Pinna Angioni, G. L.; Ravera, F.; Romero, A.; Ruspa, M.; Sacchi, R.; Shchelina, K.; Sola, V.; Solano, A.; Staiano, A.; Traczyk, P.; Belforte, S.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; La Licata, C.; Schizzi, A.; Zanetti, A.; Kim, D. H.; Kim, G. N.; Kim, M. S.; Lee, S.; Lee, S. W.; Oh, Y. D.; Sekmen, S.; Son, D. C.; Yang, Y. C.; Kim, H.; Lee, A.; Brochero Cifuentes, J. A.; Kim, T. J.; Cho, S.; Choi, S.; Go, Y.; Gyun, D.; Ha, S.; Hong, B.; Jo, Y.; Kim, Y.; Lee, B.; Lee, K.; Lee, K. S.; Lee, S.; Lim, J.; Park, S. K.; Roh, Y.; Almond, J.; Kim, J.; Oh, S. B.; Seo, S. h.; Yang, U. K.; Yoo, H. D.; Yu, G. B.; Choi, M.; Kim, H.; Kim, H.; Kim, J. H.; Lee, J. S. H.; Park, I. C.; Ryu, G.; Ryu, M. S.; Choi, Y.; Goh, J.; Hwang, C.; Kim, D.; Lee, J.; Yu, I.; Dudenas, V.; Juodagalvis, A.; Vaitkus, J.; Ahmed, I.; Ibrahim, Z. A.; Komaragiri, J. R.; Md Ali, M. A. B.; Mohamad Idris, F.; Wan Abdullah, W. A. T.; Yusli, M. N.; Zolkapli, Z.; Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-De La Cruz, I.; Hernandez-Almada, A.; Lopez-Fernandez, R.; Mejia Guisao, J.; Sanchez-Hernandez, A.; Carrillo Moreno, S.; Oropeza Barrera, C.; Vazquez Valencia, F.; Carpinteyro, S.; Pedraza, I.; Salazar Ibarguen, H. A.; Uribe Estrada, C.; Morelos Pineda, A.; Krofcheck, D.; Butler, P. H.; Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Khan, W. A.; Shah, M. A.; Shoaib, M.; Waqas, M.; Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Górski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Zalewski, P.; Bunkowski, K.; Byszuk, A.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.; Walczak, M.; Bargassa, P.; Beirão Da Cruz E Silva, C.; Di Francesco, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Hollar, J.; Leonardo, N.; Lloret Iglesias, L.; Nemallapudi, M. V.; Rodrigues Antunes, J.; Seixas, J.; Toldaiev, O.; Vadruccio, D.; Varela, J.; Vischia, P.; Bunin, P.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Korenkov, V.; Lanev, A.; Malakhov, A.; Matveev, V.; Mitsyn, V. V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Shulha, S.; Skatchkov, N.; Smirnov, V.; Tikhonenko, E.; Zarubin, A.; Chtchipounov, L.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Kuznetsova, E.; Murzin, V.; Oreshkin, V.; Sulimov, V.; Vorobyev, A.; Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Karneyeu, A.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Pozdnyakov, I.; Safronov, G.; Spiridonov, A.; Toms, M.; Vlasov, E.; Zhokin, A.; Chadeeva, M.; Danilov, M.; Markin, O.; Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Rusakov, S. V.; Terkulov, A.; Baskakov, A.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Miagkov, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.; Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Elumakhov, D.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.; Adzic, P.; Cirkovic, P.; Devetak, D.; Milosevic, J.; Rekovic, V.; Alcaraz Maestre, J.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; 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.; de Trocóniz, J. F.; Missiroli, M.; Moran, D.; Cuevas, J.; Fernandez Menendez, J.; Gonzalez Caballero, I.; González Fernández, J. R.; Palencia Cortezon, E.; Sanchez Cruz, S.; Vizan Garcia, J. M.; Cabrillo, I. J.; Calderon, A.; Castiñeiras De Saa, J. R.; Curras, E.; Fernandez, M.; Garcia-Ferrero, J.; Gomez, G.; Lopez Virto, A.; Marco, J.; Martinez Rivero, C.; Matorras, F.; Piedra Gomez, J.; Rodrigo, T.; Ruiz-Jimeno, A.; Scodellaro, L.; Trevisani, N.; Vila, I.; Vilar Cortabitarte, R.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Camporesi, T.; Castello, R.; Cepeda, M.; Cerminara, G.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; Daponte, V.; David, A.; De Gruttola, M.; De Guio, F.; De Roeck, A.; Di Marco, E.; Dobson, M.; Dordevic, M.; Dorney, B.; du Pree, T.; Duggan, D.; Dünser, M.; Dupont, N.; Elliott-Peisert, A.; Fartoukh, S.; Franzoni, G.; Fulcher, J.; Funk, W.; Gigi, D.; Gill, K.; Girone, M.; Glege, F.; Gulhan, D.; Gundacker, S.; Guthoff, M.; Hammer, J.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kirschenmann, H.; Knünz, V.; Kornmayer, A.; Kortelainen, M. J.; Kousouris, K.; Krammer, M.; Lecoq, P.; Lourenço, C.; Lucchini, M. T.; Malgeri, L.; Mannelli, M.; Martelli, A.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Neugebauer, H.; Orfanelli, S.; Orsini, L.; Pape, L.; Perez, E.; Peruzzi, M.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Racz, A.; Reis, T.; Rolandi, G.; Rovere, M.; Ruan, M.; Sakulin, H.; Sauvan, J. B.; Schäfer, C.; Schwick, C.; Seidel, M.; Sharma, A.; Silva, P.; Simon, M.; Sphicas, P.; Steggemann, J.; Stoye, M.; Takahashi, Y.; Tosi, M.; Treille, D.; Triossi, A.; Tsirou, A.; Veckalns, V.; Veres, G. I.; Wardle, N.; Wöhri, H. K.; Zagozdzinska, A.; Zeuner, W. D.; Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Rohe, T.; Bachmair, F.; Bäni, L.; Bianchini, L.; Casal, B.; Dissertori, G.; Dittmar, M.; Donegà, M.; Eller, P.; Grab, C.; Heidegger, C.; Hits, D.; Hoss, J.; Kasieczka, G.; Lecomte, P.; Lustermann, W.; Mangano, B.; Marionneau, M.; Martinez Ruiz del Arbol, P.; Masciovecchio, M.; Meinhard, M. T.; Meister, D.; Micheli, F.; Musella, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pata, J.; Pauss, F.; Perrin, G.; Perrozzi, L.; Quittnat, M.; Rossini, M.; Schönenberger, M.; Starodumov, A.; Takahashi, M.; Tavolaro, V. R.; Theofilatos, K.; Wallny, R.; Aarrestad, T. K.; Amsler, C.; Caminada, L.; Canelli, M. F.; Chiochia, V.; De Cosa, A.; Galloni, C.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Ngadiuba, J.; Pinna, D.; Rauco, G.; Robmann, P.; Salerno, D.; Yang, Y.; Candelise, V.; Doan, T. H.; Jain, Sh.; Khurana, R.; Konyushikhin, M.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Pozdnyakov, A.; Yu, S. S.; Kumar, Arun; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Fiori, F.; Hou, W.-S.; Hsiung, Y.; Liu, Y. F.; Lu, R.-S.; Miñano Moya, M.; Paganis, E.; Psallidas, A.; Tsai, J. f.; Tzeng, Y. M.; Asavapibhop, B.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.; Adiguzel, A.; Damarseckin, S.; Demiroglu, Z. S.; Dozen, C.; Eskut, E.; Girgis, S.; Gokbulut, G.; Guler, Y.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Kara, O.; Kayis Topaksu, A.; Kiminsu, U.; Oglakci, M.; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Tali, B.; Turkcapar, S.; Zorbakir, I. S.; Zorbilmez, C.; Bilin, B.; Bilmis, S.; Isildak, B.; Karapinar, G.; Yalvac, M.; Zeyrek, M.; Gülmez, E.; Kaya, M.; Kaya, O.; Yetkin, E. A.; Yetkin, T.; Cakir, A.; Cankocak, K.; Sen, S.; Grynyov, B.; Levchuk, L.; Sorokin, P.; Aggleton, R.; Ball, F.; Beck, L.; Brooke, J. J.; Burns, D.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; Seif El Nasr-Storey, S.; Smith, D.; Smith, V. J.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Calligaris, L.; Cieri, D.; 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.; Baber, M.; Bainbridge, R.; Buchmuller, O.; Bundock, A.; Burton, D.; Casasso, S.; Citron, M.; Colling, D.; Corpe, L.; Dauncey, P.; Davies, G.; De Wit, A.; Della Negra, M.; Dunne, P.; Elwood, A.; Futyan, D.; Haddad, Y.; Hall, G.; Iles, G.; Lane, R.; Laner, C.; Lucas, R.; Lyons, L.; Magnan, A.-M.; Malik, S.; Mastrolorenzo, L.; Nash, J.; Nikitenko, A.; Pela, J.; Penning, B.; Pesaresi, M.; Raymond, D. M.; Richards, A.; Rose, A.; Seez, C.; Tapper, A.; Uchida, K.; Vazquez Acosta, M.; Virdee, T.; Zenz, S. C.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.; Borzou, A.; Call, K.; Dittmann, J.; Hatakeyama, K.; Liu, H.; Pastika, N.; Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.; Arcaro, D.; Avetisyan, A.; Bose, T.; Gastler, D.; Rankin, D.; Richardson, C.; Rohlf, J.; Sulak, L.; Zou, D.; Benelli, G.; Berry, E.; Cutts, D.; Garabedian, A.; Hakala, J.; Heintz, U.; Hogan, J. M.; Jesus, O.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Piperov, S.; Sagir, S.; Spencer, E.; Syarif, R.; Breedon, R.; Breto, G.; Burns, D.; Calderon De La Barca Sanchez, M.; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Flores, C.; Funk, G.; Gardner, M.; Ko, W.; Lander, R.; Mclean, C.; 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.; Florent, A.; Hauser, J.; Ignatenko, M.; Saltzberg, D.; Takasugi, E.; Valuev, V.; Weber, M.; Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Malberti, M.; Olmedo Negrete, M.; Paneva, M. I.; Shrinivas, A.; Wei, H.; Wimpenny, S.; Yates, B. R.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Derdzinski, M.; Gerosa, R.; Holzner, A.; Klein, D.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Vartak, A.; Wasserbaech, S.; Welke, C.; Wood, J.; Würthwein, F.; Yagil, A.; Zevi Della Porta, G.; Bhandari, R.; Bradmiller-Feld, J.; Campagnari, C.; Dishaw, A.; Dutta, V.; Flowers, K.; Franco Sevilla, M.; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Gran, J.; Heller, R.; Incandela, J.; Mccoll, N.; Mullin, S. D.; Ovcharova, A.; Richman, J.; Stuart, D.; Suarez, I.; West, C.; Yoo, J.; Anderson, D.; Apresyan, A.; Bendavid, J.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Spiropulu, M.; Vlimant, J. R.; Xie, S.; Zhu, R. Y.; Andrews, M. B.; Azzolini, V.; Carlson, B.; Ferguson, T.; Paulini, M.; Russ, J.; Sun, M.; Vogel, H.; Vorobiev, I.; Cumalat, J. P.; Ford, W. T.; Jensen, F.; Johnson, A.; Krohn, M.; Mulholland, T.; Stenson, K.; Wagner, S. R.; Alexander, J.; Chaves, J.; Chu, J.; Dittmer, S.; Mcdermott, K.; Mirman, N.; Nicolas Kaufman, G.; Patterson, J. R.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Tan, S. M.; Tao, Z.; Thom, J.; Tucker, J.; Wittich, P.; Zientek, M.; Winn, D.; Abdullin, S.; Albrow, M.; Apollinari, G.; Banerjee, S.; 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.; Cremonesi, M.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Hare, D.; Harris, R. M.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Lammel, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; Lopes De Sá, R.; Lykken, J.; Maeshima, K.; Magini, N.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Pedro, K.; Prokofyev, O.; Rakness, G.; Ristori, L.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Stoynev, S.; Strobbe, N.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Wang, M.; Weber, H. A.; Whitbeck, A.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Brinkerhoff, A.; Carnes, A.; Carver, M.; Curry, D.; Das, S.; Field, R. D.; Furic, I. K.; Konigsberg, J.; Korytov, A.; Ma, P.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Rank, D.; Shchutska, L.; Sperka, D.; Thomas, L.; Wang, J.; Wang, S.; Yelton, J.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Ackert, A.; Adams, J. R.; Adams, T.; Askew, A.; Bein, S.; Diamond, B.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Khatiwada, A.; Prosper, H.; Santra, A.; Weinberg, M.; Baarmand, M. M.; Bhopatkar, V.; Colafranceschi, S.; Hohlmann, M.; Noonan, D.; Roy, T.; 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.; Turner, P.; Varelas, N.; Wu, Z.; Zakaria, M.; Zhang, J.; Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tiras, E.; Wetzel, J.; Yi, K.; Anderson, I.; Blumenfeld, B.; Cocoros, A.; Eminizer, N.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Osherson, M.; Roskes, J.; Sarica, U.; Swartz, M.; Xiao, M.; Xin, Y.; You, C.; Al-bataineh, A.; Baringer, P.; Bean, A.; Bowen, J.; Bruner, C.; Castle, J.; Kenny, R. P., III; Kropivnitskaya, A.; Majumder, D.; Mcbrayer, W.; Murray, M.; Sanders, S.; Stringer, R.; Tapia Takaki, J. D.; Wang, Q.; Ivanov, A.; Kaadze, K.; Khalil, S.; Makouski, M.; Maravin, Y.; Mohammadi, A.; Saini, L. K.; Skhirtladze, N.; Toda, S.; Lange, D.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Kunkle, J.; Lu, Y.; Mignerey, A. C.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Abercrombie, D.; Allen, B.; Apyan, A.; Barbieri, R.; Baty, A.; Bi, R.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; Demiragli, Z.; Di Matteo, L.; Gomez Ceballos, G.; Goncharov, M.; Hsu, D.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Krajczar, K.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Sumorok, K.; Tatar, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Zhukova, V.; Benvenuti, A. C.; Chatterjee, R. M.; Evans, A.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bartek, R.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Knowlton, D.; Kravchenko, I.; Malta Rodrigues, A.; Meier, F.; Monroy, J.; Siado, J. E.; Snow, G. R.; Stieger, B.; Alyari, M.; Dolen, J.; George, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Kumar, A.; Parker, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wang, R.-J.; Wood, D.; Bhattacharya, S.; Hahn, K. A.; Kubik, A.; Low, J. F.; Mucia, N.; Odell, N.; Pollack, B.; Schmitt, M. H.; Sung, K.; Trovato, M.; Velasco, M.; Dev, N.; Hildreth, M.; Hurtado Anampa, K.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Planer, M.; Reinsvold, A.; Ruchti, R.; Smith, G.; Taroni, S.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.; Alimena, J.; Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Francis, B.; Hart, A.; Hill, C.; Hughes, R.; Ji, W.; Liu, B.; Luo, W.; Puigh, D.; Winer, B. L.; Wulsin, H. W.; Cooperstein, S.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Luo, J.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Palmer, C.; Piroué, P.; Stickland, D.; Tully, C.; Zuranski, A.; Malik, S.; Barker, A.; Barnes, V. E.; Benedetti, D.; Folgueras, S.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, A. W.; Jung, K.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shi, X.; Sun, J.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.; Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Duh, Y. t.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Hindrichs, O.; Khukhunaishvili, A.; Lo, K. H.; Tan, P.; Verzetti, M.; Chou, J. P.; Contreras-Campana, E.; Gershtein, Y.; Gómez Espinosa, T. A.; Halkiadakis, E.; Heindl, M.; Hidas, D.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Kyriacou, S.; Lath, A.; Nash, K.; Saka, H.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Foerster, M.; Heideman, J.; Riley, G.; Rose, K.; Spanier, S.; Thapa, K.; Bouhali, O.; Celik, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Huang, T.; Juska, E.; Kamon, T.; Krutelyov, V.; Mueller, R.; Pakhotin, Y.; Patel, R.; Perloff, A.; Perniè, L.; Rathjens, D.; Rose, A.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Undleeb, S.; Volobouev, I.; Wang, Z.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Melo, A.; Ni, H.; Sheldon, P.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Barria, P.; Cox, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Sun, X.; Wang, Y.; Wolfe, E.; Xia, F.; Clarke, C.; Harr, R.; Karchin, P. E.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ruggles, T.; Savin, A.; Sharma, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.

    2017-07-01

    A measurement is presented of the cross section for the electroweak production of a Z boson and a photon in association with two jets in proton-proton collisions at √{ s} = 8 TeV. The Z bosons are identified through their decays to electron or muon pairs. The measurement is based on data collected with the CMS detector corresponding to an integrated luminosity of 19.7 fb-1. The electroweak contribution has a significance of 3.0 standard deviations, and the measured fiducial cross section is 1.86-0.75+0.90(stat)-0.26+0.34 (syst) ± 0.05(lumi) fb, while the summed electroweak and quantum chromodynamic total cross section in the same region is observed to be 5.94-1.35+1.53(stat)-0.37+0.43 (syst) ± 0.13(lumi) fb. Both measurements are consistent with the leading-order standard model predictions. Limits on anomalous quartic gauge couplings are set based on the Zγ mass distribution.

  11. Evidence for exclusive γγ → W + W - production and constraints on anomalous quartic gauge couplings in pp collisions at √{s}=7 and 8 TeV

    NASA Astrophysics Data System (ADS)

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Knünz, V.; König, A.; Krammer, M.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rad, N.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Schöfbeck, R.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; Cornelis, T.; de Wolf, E. A.; Janssen, X.; Knutsson, A.; Lauwers, J.; Luyckx, S.; van de Klundert, M.; van Haevermaet, H.; van Mechelen, P.; van Remortel, N.; van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; Daci, N.; de Bruyn, I.; Deroover, K.; Heracleous, N.; Keaveney, J.; Lowette, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; van Doninck, W.; van Mulders, P.; van Onsem, G. P.; van Parijs, I.; Barria, P.; Brun, H.; Caillol, C.; Clerbaux, B.; de Lentdecker, G.; Fang, W.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Léonard, A.; Maerschalk, T.; Marinov, A.; Perniè, L.; Randle-Conde, A.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Yonamine, R.; Zenoni, F.; Zhang, F.; Beernaert, K.; Benucci, L.; Cimmino, A.; Crucy, S.; Dobur, D.; Fagot, A.; Garcia, G.; Gul, M.; McCartin, J.; Ocampo Rios, A. A.; Poyraz, D.; Ryckbosch, D.; Salva, S.; Sigamani, M.; Tytgat, M.; van Driessche, W.; Yazgan, E.; Zaganidis, N.; Basegmez, S.; Beluffi, C.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; Ceard, L.; de Visscher, S.; Delaere, C.; Delcourt, M.; Favart, D.; Forthomme, L.; Giammanco, A.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Mertens, A.; Musich, M.; Nuttens, C.; Perrini, L.; Piotrzkowski, K.; Popov, A.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Beliy, N.; Hammad, G. H.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Hamer, M.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; da Costa, E. M.; de Jesus Damiao, D.; de Oliveira Martins, C.; Fonseca de Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Prado da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; de Souza Santos, A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Cheng, T.; Du, R.; Jiang, C. H.; Leggat, D.; Plestina, R.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Asawatangtrakuldee, C.; Ban, Y.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Kadija, K.; Luetic, J.; Micanovic, S.; Sudic, L.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M.; Assran, Y.; Ellithi Kamel, A.; Mahrous, A.; Mohamed, A.; Calpas, B.; Kadastik, M.; Murumaa, M.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Peltola, T.; 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.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Zghiche, A.; Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Davignon, O.; Filipovic, N.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Mastrolorenzo, L.; Miné, P.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Agram, J.-L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Goetzmann, C.; Le Bihan, A.-C.; Merlin, J. A.; Skovpen, K.; van Hove, P.

    2016-08-01

    A search for exclusive or quasi-exclusive γγ → W + W - production, via pp → p (*) W + W - p (*) → p (*) μ ±e∓ p (*) at √{s}=8 TeV, is reported using data corresponding to an integrated luminosity of 19.7 fb-1. Events are selected by requiring the presence of an electron-muon pair with large transverse momentum p T( μ ±e∓) > 30 GeV, and no associated charged particles detected from the same vertex. The 8 TeV results are combined with the previous 7 TeV results (obtained for 5.05 fb-1 of data). In the signal region, 13 (2) events are observed over an expected background of 3.9 ± 0.6 (0.84 ± 0.15) events for 8 (7) TeV, resulting in a combined excess of 3.4σ over the background-only hypothesis. The observed yields and kinematic distributions are compatible with the standard model prediction for exclusive and quasi-exclusive γγ → W + W - production. Upper limits on the anomalous quartic gauge coupling operators a 0, C W (dimension-6) and f M0,1,2,3 (dimension-8), the most stringent to date, are derived from the measured dilepton transverse momentum spectrum. [Figure not available: see fulltext.

  12. Study of exclusive two-photon production of $W^+W^-$ in $pp$ collisions at $\\sqrt{s} = 7$ TeV and constraints on anomalous quartic gauge couplings

    SciTech Connect

    Chatrchyan, Serguei; et al.

    2013-07-18

    A search for exclusive or quasi-exclusive W+W$-$ production by photon-photon interactions, pp → p(*)W+W$-$p(*), at TeV is reported using data collected by the CMS detector with an integrated luminosity of 5.05 fb$-$1. Events are selected by requiring a μ±e vertex with no additional associated charged tracks and dilepton transverse momentum pT±e) > 30 GeV. Two events passing all selection requirements are observed in the data, compared to a standard model expectation of 2.2 ± 0.4 signal events with 0.84 ± 0.15 background. The tail of the dilepton pT distribution is studied for deviations from the standard model. No events are observed with pT > 100 GeV. Model-independent upper limits are computed and compared to predictions involving anomalous quartic gauge couplings. The limits on the parameters α$W\\atop{0,C}$/Λ2 with a dipole form factor and an energy cutoff Λcutoff = 500 GeV are of the order of 10$-$4.

  13. Feedback about More Accurate versus Less Accurate Trials: Differential Effects on Self-Confidence and Activation

    ERIC Educational Resources Information Center

    Badami, Rokhsareh; VaezMousavi, Mohammad; Wulf, Gabriele; Namazizadeh, Mahdi

    2012-01-01

    One purpose of the present study was to examine whether self-confidence or anxiety would be differentially affected by feedback from more accurate rather than less accurate trials. The second purpose was to determine whether arousal variations (activation) would predict performance. On Day 1, participants performed a golf putting task under one of…

  14. Feedback about More Accurate versus Less Accurate Trials: Differential Effects on Self-Confidence and Activation

    ERIC Educational Resources Information Center

    Badami, Rokhsareh; VaezMousavi, Mohammad; Wulf, Gabriele; Namazizadeh, Mahdi

    2012-01-01

    One purpose of the present study was to examine whether self-confidence or anxiety would be differentially affected by feedback from more accurate rather than less accurate trials. The second purpose was to determine whether arousal variations (activation) would predict performance. On Day 1, participants performed a golf putting task under one of…

  15. Polarization effects in molecular mechanical force fields

    PubMed Central

    Cieplak, Piotr; Dupradeau, François-Yves; Duan, Yong; Wang, Junmei

    2014-01-01

    The focus here is on incorporating electronic polarization into classical molecular mechanical force fields used for macromolecular simulations. First, we briefly examine currently used molecular mechanical force fields and the current status of intermolecular forces as viewed by quantum mechanical approaches. Next, we demonstrate how some components of quantum mechanical energy are effectively incorporated into classical molecular mechanical force fields. Finally, we assess the modeling methods of one such energy component—polarization energy—and present an overview of polarizable force fields and their current applications. Incorporating polarization effects into current force fields paves the way to developing potentially more accurate, though more complex, parameterizations that can be used for more realistic molecular simulations. PMID:21828594

  16. Calculation of injection forces for highly concentrated protein solutions.

    PubMed

    Fischer, Ingo; Schmidt, Astrid; Bryant, Andrew; Besheer, Ahmed

    2015-09-30

    Protein solutions often manifest a high viscosity at high solution concentrations, thus impairing injectability. Accordingly, accurate prediction of the injection force based on solution viscosity can greatly support protein formulation and device development. In this study, the shear-dependent viscosity of three concentrated protein solutions is reported, and calculated injection forces obtained by two different mathematical models are compared against measured values. The results show that accurate determination of the needle dimensions and the shear-thinning behavior of the protein solutions is vital for injection force prediction. Additionally, one model delivered more accurate results, particularly for solutions with prominent shear-thinning behavior.

  17. Experimental studies of the magnetized friction force

    SciTech Connect

    Fedotov, A. V.; Litvinenko, V. N.; Gaalnander, B.; Lofnes, T.; Ziemann, V.; Sidorin, A.; Smirnov, A.

    2006-06-15

    High-energy electron cooling, presently considered as an essential tool for several applications in high-energy and nuclear physics, requires an accurate description of the friction force which ions experience by passing through an electron beam. Present low-energy electron coolers can be used for a detailed study of the friction force. In addition, parameters of a low-energy cooler can be chosen in a manner to reproduce regimes expected in future high-energy operation. Here, we report a set of dedicated experiments in CELSIUS aimed at a detailed study of the magnetized friction force. Some results of the accurate comparison of experimental data with the friction force formulas are presented.

  18. An Accurate and Dynamic Computer Graphics Muscle Model

    NASA Technical Reports Server (NTRS)

    Levine, David Asher

    1997-01-01

    A computer based musculo-skeletal model was developed at the University in the departments of Mechanical and Biomedical Engineering. This model accurately represents human shoulder kinematics. The result of this model is the graphical display of bones moving through an appropriate range of motion based on inputs of EMGs and external forces. The need existed to incorporate a geometric muscle model in the larger musculo-skeletal model. Previous muscle models did not accurately represent muscle geometries, nor did they account for the kinematics of tendons. This thesis covers the creation of a new muscle model for use in the above musculo-skeletal model. This muscle model was based on anatomical data from the Visible Human Project (VHP) cadaver study. Two-dimensional digital images from the VHP were analyzed and reconstructed to recreate the three-dimensional muscle geometries. The recreated geometries were smoothed, reduced, and sliced to form data files defining the surfaces of each muscle. The muscle modeling function opened these files during run-time and recreated the muscle surface. The modeling function applied constant volume limitations to the muscle and constant geometry limitations to the tendons.

  19. Exploring accurate Poisson–Boltzmann methods for biomolecular simulations

    PubMed Central

    Wang, Changhao; Wang, Jun; Cai, Qin; Li, Zhilin; Zhao, Hong-Kai; Luo, Ray

    2013-01-01

    Accurate and efficient treatment of electrostatics is a crucial step in computational analyses of biomolecular structures and dynamics. In this study, we have explored a second-order finite-difference numerical method to solve the widely used Poisson–Boltzmann equation for electrostatic analyses of realistic bio-molecules. The so-called immersed interface method was first validated and found to be consistent with the classical weighted harmonic averaging method for a diversified set of test biomolecules. The numerical accuracy and convergence behaviors of the new method were next analyzed in its computation of numerical reaction field grid potentials, energies, and atomic solvation forces. Overall similar convergence behaviors were observed as those by the classical method. Interestingly, the new method was found to deliver more accurate and better-converged grid potentials than the classical method on or nearby the molecular surface, though the numerical advantage of the new method is reduced when grid potentials are extrapolated to the molecular surface. Our exploratory study indicates the need for further improving interpolation/extrapolation schemes in addition to the developments of higher-order numerical methods that have attracted most attention in the field. PMID:24443709

  20. New model accurately predicts reformate composition

    SciTech Connect

    Ancheyta-Juarez, J.; Aguilar-Rodriguez, E. )

    1994-01-31

    Although naphtha reforming is a well-known process, the evolution of catalyst formulation, as well as new trends in gasoline specifications, have led to rapid evolution of the process, including: reactor design, regeneration mode, and operating conditions. Mathematical modeling of the reforming process is an increasingly important tool. It is fundamental to the proper design of new reactors and revamp of existing ones. Modeling can be used to optimize operating conditions, analyze the effects of process variables, and enhance unit performance. Instituto Mexicano del Petroleo has developed a model of the catalytic reforming process that accurately predicts reformate composition at the higher-severity conditions at which new reformers are being designed. The new AA model is more accurate than previous proposals because it takes into account the effects of temperature and pressure on the rate constants of each chemical reaction.

  1. Two highly accurate methods for pitch calibration

    NASA Astrophysics Data System (ADS)

    Kniel, K.; Härtig, F.; Osawa, S.; Sato, O.

    2009-11-01

    Among profiles, helix and tooth thickness pitch is one of the most important parameters of an involute gear measurement evaluation. In principle, coordinate measuring machines (CMM) and CNC-controlled gear measuring machines as a variant of a CMM are suited for these kinds of gear measurements. Now the Japan National Institute of Advanced Industrial Science and Technology (NMIJ/AIST) and the German national metrology institute the Physikalisch-Technische Bundesanstalt (PTB) have each developed independently highly accurate pitch calibration methods applicable to CMM or gear measuring machines. Both calibration methods are based on the so-called closure technique which allows the separation of the systematic errors of the measurement device and the errors of the gear. For the verification of both calibration methods, NMIJ/AIST and PTB performed measurements on a specially designed pitch artifact. The comparison of the results shows that both methods can be used for highly accurate calibrations of pitch standards.

  2. Accurate guitar tuning by cochlear implant musicians.

    PubMed

    Lu, Thomas; Huang, Juan; Zeng, Fan-Gang

    2014-01-01

    Modern cochlear implant (CI) users understand speech but find difficulty in music appreciation due to poor pitch perception. Still, some deaf musicians continue to perform with their CI. Here we show unexpected results that CI musicians can reliably tune a guitar by CI alone and, under controlled conditions, match simultaneously presented tones to <0.5 Hz. One subject had normal contralateral hearing and produced more accurate tuning with CI than his normal ear. To understand these counterintuitive findings, we presented tones sequentially and found that tuning error was larger at ∼ 30 Hz for both subjects. A third subject, a non-musician CI user with normal contralateral hearing, showed similar trends in performance between CI and normal hearing ears but with less precision. This difference, along with electric analysis, showed that accurate tuning was achieved by listening to beats rather than discriminating pitch, effectively turning a spectral task into a temporal discrimination task.

  3. Accurate Guitar Tuning by Cochlear Implant Musicians

    PubMed Central

    Lu, Thomas; Huang, Juan; Zeng, Fan-Gang

    2014-01-01

    Modern cochlear implant (CI) users understand speech but find difficulty in music appreciation due to poor pitch perception. Still, some deaf musicians continue to perform with their CI. Here we show unexpected results that CI musicians can reliably tune a guitar by CI alone and, under controlled conditions, match simultaneously presented tones to <0.5 Hz. One subject had normal contralateral hearing and produced more accurate tuning with CI than his normal ear. To understand these counterintuitive findings, we presented tones sequentially and found that tuning error was larger at ∼30 Hz for both subjects. A third subject, a non-musician CI user with normal contralateral hearing, showed similar trends in performance between CI and normal hearing ears but with less precision. This difference, along with electric analysis, showed that accurate tuning was achieved by listening to beats rather than discriminating pitch, effectively turning a spectral task into a temporal discrimination task. PMID:24651081

  4. Accurate colorimetric feedback for RGB LED clusters

    NASA Astrophysics Data System (ADS)

    Man, Kwong; Ashdown, Ian

    2006-08-01

    We present an empirical model of LED emission spectra that is applicable to both InGaN and AlInGaP high-flux LEDs, and which accurately predicts their relative spectral power distributions over a wide range of LED junction temperatures. We further demonstrate with laboratory measurements that changes in LED spectral power distribution with temperature can be accurately predicted with first- or second-order equations. This provides the basis for a real-time colorimetric feedback system for RGB LED clusters that can maintain the chromaticity of white light at constant intensity to within +/-0.003 Δuv over a range of 45 degrees Celsius, and to within 0.01 Δuv when dimmed over an intensity range of 10:1.

  5. Lipidomics, en route to accurate quantitation.

    PubMed

    Lam, Sin Man; Tian, He; Shui, Guanghou

    2017-08-01

    Accurate quantitation is prerequisite for the sustainable development of lipidomics via enabling its applications in various biological and biomedical settings. In this review, the technical considerations and limitations of existent lipidomics technologies, particularly in terms of accurate quantitation; as well as the potential sources of errors along a typical lipidomic workflow that could ultimately give rise to quantitative inaccuracies will be addressed. Furthermore, the pressing need to exercise stricter definitions of terms and protocol standardization pertaining to quantitative lipidomics will be critically discussed, as quantitative accuracy may substantially impact upon the persevering development of lipidomics in the long run. This article is part of a Special Issue entitled: BBALIP_Lipidomics Opinion Articles edited by Sepp Kohlwein. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Accurate mask model for advanced nodes

    NASA Astrophysics Data System (ADS)

    Zine El Abidine, Nacer; Sundermann, Frank; Yesilada, Emek; Ndiaye, El Hadji Omar; Mishra, Kushlendra; Paninjath, Sankaranarayanan; Bork, Ingo; Buck, Peter; Toublan, Olivier; Schanen, Isabelle

    2014-07-01

    Standard OPC models consist of a physical optical model and an empirical resist model. The resist model compensates the optical model imprecision on top of modeling resist development. The optical model imprecision may result from mask topography effects and real mask information including mask ebeam writing and mask process contributions. For advanced technology nodes, significant progress has been made to model mask topography to improve optical model accuracy. However, mask information is difficult to decorrelate from standard OPC model. Our goal is to establish an accurate mask model through a dedicated calibration exercise. In this paper, we present a flow to calibrate an accurate mask enabling its implementation. The study covers the different effects that should be embedded in the mask model as well as the experiment required to model them.

  7. The challenge of accurately quantifying future megadrought risk in the American Southwest

    NASA Astrophysics Data System (ADS)

    Coats, Sloan; Mankin, Justin S.

    2016-09-01

    American Southwest (ASW) megadroughts represent decadal-scale periods of dry conditions the near-term risks of which arise from natural low-frequency hydroclimate variability and anthropogenic forcing. A large single-climate-model ensemble indicates that anthropogenic forcing increases near-term ASW megadrought risk by a factor of 100; however, accurate risk assessment remains a challenge. At the global-scale we find that anthropogenic forcing may alter the variability driving megadroughts over 55% of land areas, undermining accurate assessments of their risk. For the remaining areas, current ensembles are too small to characterize megadroughts' driving variability. For example, constraining uncertainty in near-term ASW megadrought risk to 5 percentage points with high confidence requires 287 simulations. Such ensemble sizes are beyond current computational and storage resources, and these limitations suggest that constraining errors in near-term megadrought risk projections with high confidence—even in places where underlying variability is stationary—is not currently possible.

  8. Accurate Control of Josephson Phase Qubits

    DTIC Science & Technology

    2016-04-14

    PHYSICAL REVIEW B 68, 224518 ~2003!Accurate control of Josephson phase qubits Matthias Steffen,1,2,* John M. Martinis,3 and Isaac L. Chuang1 1Center...qubits, we believe they could also be fruitful in other systems where one wishes to control a par- ticular subspace of Hilbert space. This work...access the two- state system as a controllable qubit. The ratio DU/\\vp pa- rameterizes the anharmonicity of the cubic potential with regard to the qubit

  9. An accurate registration technique for distorted images

    NASA Technical Reports Server (NTRS)

    Delapena, Michele; Shaw, Richard A.; Linde, Peter; Dravins, Dainis

    1990-01-01

    Accurate registration of International Ultraviolet Explorer (IUE) images is crucial because the variability of the geometrical distortions that are introduced by the SEC-Vidicon cameras ensures that raw science images are never perfectly aligned with the Intensity Transfer Functions (ITFs) (i.e., graded floodlamp exposures that are used to linearize and normalize the camera response). A technique for precisely registering IUE images which uses a cross correlation of the fixed pattern that exists in all raw IUE images is described.

  10. Accurate confidence limits for stratified clinical trials.

    PubMed

    Lloyd, Chris J

    2013-09-10

    For stratified 2 × 2 tables, standard approximate confidence limits can perform poorly from a strict frequentist perspective, even for moderate-sized samples, yet they are routinely used. In this paper, I show how to use importance sampling to compute highly accurate limits in reasonable time. The methodology is very general and simple to implement, and orders of magnitude are faster than existing alternatives. Copyright © 2013 John Wiley & Sons, Ltd.

  11. An Accurate, Simplified Model Intrabeam Scattering

    SciTech Connect

    Bane, Karl LF

    2002-05-23

    Beginning with the general Bjorken-Mtingwa solution for intrabeam scattering (IBS) we derive an accurate, greatly simplified model of IBS, valid for high energy beams in normal storage ring lattices. In addition, we show that, under the same conditions, a modified version of Piwinski's IBS formulation (where {eta}{sub x,y}{sup 2}/{beta}{sub x,y} has been replaced by {Eta}{sub x,y}) asymptotically approaches the result of Bjorken-Mtingwa.

  12. Arbitrarily accurate narrowband composite pulse sequences

    SciTech Connect

    Vitanov, Nikolay V.

    2011-12-15

    Narrowband composite pulse sequences containing an arbitrary number N of identical pulses are presented. The composite phases are given by a very simple analytic formula and the transition probability is merely sin{sup 2N}(A/2), where A is the pulse area. These narrowband sequences can be made accurate to any order with respect to variations in A for sufficiently many constituent pulses, i.e., excitation can be suppressed below any desired value for any pulse area but {pi}.

  13. On accurate determination of contact angle

    NASA Technical Reports Server (NTRS)

    Concus, P.; Finn, R.

    1992-01-01

    Methods are proposed that exploit a microgravity environment to obtain highly accurate measurement of contact angle. These methods, which are based on our earlier mathematical results, do not require detailed measurement of a liquid free-surface, as they incorporate discontinuous or nearly-discontinuous behavior of the liquid bulk in certain container geometries. Physical testing is planned in the forthcoming IML-2 space flight and in related preparatory ground-based experiments.

  14. Accurate finite element modeling of acoustic waves

    NASA Astrophysics Data System (ADS)

    Idesman, A.; Pham, D.

    2014-07-01

    In the paper we suggest an accurate finite element approach for the modeling of acoustic waves under a suddenly applied load. We consider the standard linear elements and the linear elements with reduced dispersion for the space discretization as well as the explicit central-difference method for time integration. The analytical study of the numerical dispersion shows that the most accurate results can be obtained with the time increments close to the stability limit. However, even in this case and the use of the linear elements with reduced dispersion, mesh refinement leads to divergent numerical results for acoustic waves under a suddenly applied load. This is explained by large spurious high-frequency oscillations. For the quantification and the suppression of spurious oscillations, we have modified and applied a two-stage time-integration technique that includes the stage of basic computations and the filtering stage. This technique allows accurate convergent results at mesh refinement as well as significantly reduces the numerical anisotropy of solutions. We should mention that the approach suggested is very general and can be equally applied to any loading as well as for any space-discretization technique and any explicit or implicit time-integration method.

  15. Accurate spectroscopic characterization of ethyl mercaptan and dimethyl sulfide isotopologues: a route toward their astrophysical detection

    SciTech Connect

    Puzzarini, C.; Senent, M. L.; Domínguez-Gómez, R.; Carvajal, M.; Hochlaf, M.; Al-Mogren, M. Mogren E-mail: senent@iem.cfmac.csic.es E-mail: miguel.carvajal@dfa.uhu.es E-mail: mmogren@ksu.edu.sa

    2014-11-20

    Using state-of-the-art computational methodologies, we predict a set of reliable rotational and torsional parameters for ethyl mercaptan and dimethyl sulfide monosubstituted isotopologues. This includes rotational, quartic, and sextic centrifugal-distortion constants, torsional levels, and torsional splittings. The accuracy of the present data was assessed from a comparison to the available experimental data. Generally, our computed parameters should help in the characterization and the identification of these organo-sulfur molecules in laboratory settings and in the interstellar medium.

  16. Chewing simulation with a physically accurate deformable model.

    PubMed

    Pascale, Andra Maria; Ruge, Sebastian; Hauth, Steffen; Kordaß, Bernd; Linsen, Lars

    2015-01-01

    Nowadays, CAD/CAM software is being used to compute the optimal shape and position of a new tooth model meant for a patient. With this possible future application in mind, we present in this article an independent and stand-alone interactive application that simulates the human chewing process and the deformation it produces in the food substrate. Chewing motion sensors are used to produce an accurate representation of the jaw movement. The substrate is represented by a deformable elastic model based on the finite linear elements method, which preserves physical accuracy. Collision detection based on spatial partitioning is used to calculate the forces that are acting on the deformable model. Based on the calculated information, geometry elements are added to the scene to enhance the information available for the user. The goal of the simulation is to present a complete scene to the dentist, highlighting the points where the teeth came into contact with the substrate and giving information about how much force acted at these points, which therefore makes it possible to indicate whether the tooth is being used incorrectly in the mastication process. Real-time interactivity is desired and achieved within limits, depending on the complexity of the employed geometric models. The presented simulation is a first step towards the overall project goal of interactively optimizing tooth position and shape under the investigation of a virtual chewing process using real patient data (Fig 1).

  17. Subcooled forced convection boiling of trichlorotrifluoroethane

    NASA Technical Reports Server (NTRS)

    Dougall, R. S.; Panian, D. J.

    1972-01-01

    Experimental heat-transfer data were obtained for the forced-convection boiling of trichlorotrifluoroethane (R-113 or Freon-113) in a vertical annular test annular test section. The 97 data points obtained covered heat transfer by forced convection, local boiling, and fully-developed boiling. Correlating methods were obtained which accurately predicted the heat flux as a function of wall superheat (boiling curve) over the range of parameters studied.

  18. Bilateral synergies in foot force production tasks.

    PubMed

    Sarabon, Nejc; Markovic, Goran; Mikulic, Pavle; Latash, Mark L

    2013-05-01

    We analysed the effects of task symmetry during bilateral accurate force production tasks performed by the two feet. In particular, we tested a hypothesis that bilateral deficit would lead to higher indices of synergies defined as co-varied adjustments in the two forces across trials that reduced total force variability. The subjects produced steady-state force followed by a quick force pulse into the target. The two feet could be acting both into plantar flexion and into dorsiflexion (symmetrical tasks), or in opposite directions (asymmetrical task). We used the framework of the uncontrolled manifold hypothesis to quantify two variance components, one of which did not change total force (V UCM), while the other did (V ORT). Synergy indices during the asymmetrical task were higher than in either symmetrical task. The difference was due to higher V UCM (compared to the symmetrical plantar flexion task) or lower V ORT (compared to the symmetrical dorsiflexion task). The synergy index showed a drop (anticipatory synergy adjustment, ASA) starting 100-150 ms prior to the force pulse initiation. The ASA tended to be shorter and of a smaller magnitude for the asymmetrical task. This is the first demonstration of bilateral synergies during accurate force production by the legs. We conclude that bilateral deficit has no or weak effects on two-leg synergies. The results fit the earlier introduced scheme with two groups of neural variables defining average performance of a redundant system and patterns of co-variation among its elemental variables, respectively.

  19. High Frequency QRS ECG Accurately Detects Cardiomyopathy

    NASA Technical Reports Server (NTRS)

    Schlegel, Todd T.; Arenare, Brian; Poulin, Gregory; Moser, Daniel R.; Delgado, Reynolds

    2005-01-01

    High frequency (HF, 150-250 Hz) analysis over the entire QRS interval of the ECG is more sensitive than conventional ECG for detecting myocardial ischemia. However, the accuracy of HF QRS ECG for detecting cardiomyopathy is unknown. We obtained simultaneous resting conventional and HF QRS 12-lead ECGs in 66 patients with cardiomyopathy (EF = 23.2 plus or minus 6.l%, mean plus or minus SD) and in 66 age- and gender-matched healthy controls using PC-based ECG software recently developed at NASA. The single most accurate ECG parameter for detecting cardiomyopathy was an HF QRS morphological score that takes into consideration the total number and severity of reduced amplitude zones (RAZs) present plus the clustering of RAZs together in contiguous leads. This RAZ score had an area under the receiver operator curve (ROC) of 0.91, and was 88% sensitive, 82% specific and 85% accurate for identifying cardiomyopathy at optimum score cut-off of 140 points. Although conventional ECG parameters such as the QRS and QTc intervals were also significantly longer in patients than controls (P less than 0.001, BBBs excluded), these conventional parameters were less accurate (area under the ROC = 0.77 and 0.77, respectively) than HF QRS morphological parameters for identifying underlying cardiomyopathy. The total amplitude of the HF QRS complexes, as measured by summed root mean square voltages (RMSVs), also differed between patients and controls (33.8 plus or minus 11.5 vs. 41.5 plus or minus 13.6 mV, respectively, P less than 0.003), but this parameter was even less accurate in distinguishing the two groups (area under ROC = 0.67) than the HF QRS morphologic and conventional ECG parameters. Diagnostic accuracy was optimal (86%) when the RAZ score from the HF QRS ECG and the QTc interval from the conventional ECG were used simultaneously with cut-offs of greater than or equal to 40 points and greater than or equal to 445 ms, respectively. In conclusion 12-lead HF QRS ECG employing

  20. High Frequency QRS ECG Accurately Detects Cardiomyopathy

    NASA Technical Reports Server (NTRS)

    Schlegel, Todd T.; Arenare, Brian; Poulin, Gregory; Moser, Daniel R.; Delgado, Reynolds

    2005-01-01

    High frequency (HF, 150-250 Hz) analysis over the entire QRS interval of the ECG is more sensitive than conventional ECG for detecting myocardial ischemia. However, the accuracy of HF QRS ECG for detecting cardiomyopathy is unknown. We obtained simultaneous resting conventional and HF QRS 12-lead ECGs in 66 patients with cardiomyopathy (EF = 23.2 plus or minus 6.l%, mean plus or minus SD) and in 66 age- and gender-matched healthy controls using PC-based ECG software recently developed at NASA. The single most accurate ECG parameter for detecting cardiomyopathy was an HF QRS morphological score that takes into consideration the total number and severity of reduced amplitude zones (RAZs) present plus the clustering of RAZs together in contiguous leads. This RAZ score had an area under the receiver operator curve (ROC) of 0.91, and was 88% sensitive, 82% specific and 85% accurate for identifying cardiomyopathy at optimum score cut-off of 140 points. Although conventional ECG parameters such as the QRS and QTc intervals were also significantly longer in patients than controls (P less than 0.001, BBBs excluded), these conventional parameters were less accurate (area under the ROC = 0.77 and 0.77, respectively) than HF QRS morphological parameters for identifying underlying cardiomyopathy. The total amplitude of the HF QRS complexes, as measured by summed root mean square voltages (RMSVs), also differed between patients and controls (33.8 plus or minus 11.5 vs. 41.5 plus or minus 13.6 mV, respectively, P less than 0.003), but this parameter was even less accurate in distinguishing the two groups (area under ROC = 0.67) than the HF QRS morphologic and conventional ECG parameters. Diagnostic accuracy was optimal (86%) when the RAZ score from the HF QRS ECG and the QTc interval from the conventional ECG were used simultaneously with cut-offs of greater than or equal to 40 points and greater than or equal to 445 ms, respectively. In conclusion 12-lead HF QRS ECG employing

  1. Parametrized-4.5PN TaylorF2 approximants and tail effects to quartic nonlinear order from the effective one body formalism

    NASA Astrophysics Data System (ADS)

    Messina, Francesco; Nagar, Alessandro

    2017-06-01

    By post-Newtonian (PN) expanding the well-known, factorized and resummed, effective-one-body energy flux for circularized binaries, we show that (i) because of the presence of the resummed tail factor, the 4.5PN-accurate tails-of-tails-of-tails contribution to the energy flux recently computed by Marchand et al. [Classical Quantum Gravity 33, 244003 (2016), 10.1088/0264-9381/33/24/244003] is actually contained in the resummed expression; this is also the case of the next-to-leading-order tail-induced spin-orbit term of Marsat et al. [Classical Quantum Gravity 31, 025023 (2014), 10.1088/0264-9381/31/2/025023]; (ii) in performing this expansion, we also obtain, for the first time, the explicit 3.5PN leading-order tail-induced spin-spin flux term; and (iii) pushing the PN expansion of the (nonspinning) EOB flux up to 5.5PN order, we compute 4PN, 5PN, and 5.5PN contributions to the energy flux, though in a form that explicitly depends on, currently unknown, 4PN and 5PN non-test-mass corrections to the factorized waveform amplitudes. Within this (parametrized) 4.5PN accuracy, we calculate the Taylor F2 approximant. Focusing for simplicity on the nonspinning case and using the numerical-relativity calibrated IMRPhenomD waveform model as a benchmark, we demonstrate that it is possible to reproduce the derivative of the IMRPhenomD phase (say up to the frequency of the Schwarzschild last-stable-orbit) by flexing only a 4PN "effective" waveform amplitude parameter. A preliminary analysis also illustrates that similar results can be obtained for the spin-aligned case provided only the leading-order spin-orbit and spin-spin terms are kept. Our findings suggest that these types of EOB-derived, parametrized, higher-order, PN approximants may serve as promising tools to construct inspiral-merger-ringdown phenomenological models or even to replace the standardly used 3.5PN-accurate TaylorF2 approximant in searches of small-mass binaries.

  2. The role of nonlinear dynamics in quantitative atomic force microscopy.

    PubMed

    Platz, Daniel; Forchheimer, Daniel; Tholén, Erik A; Haviland, David B

    2012-07-05

    Various methods of force measurement with the atomic force microscope are compared for their ability to accurately determine the tip-surface force from analysis of the nonlinear cantilever motion. It is explained how intermodulation, or the frequency mixing of multiple drive tones by the nonlinear tip-surface force, can be used to concentrate the nonlinear motion in a narrow band of frequency near the cantilever's fundamental resonance, where accuracy and sensitivity of force measurement are greatest. Two different methods for reconstructing tip-surface forces from intermodulation spectra are explained. The reconstruction of both conservative and dissipative tip-surface interactions from intermodulation spectra are demonstrated on simulated data.

  3. Two sensory channels mediate perception of fingertip force.

    PubMed

    Brothers, Trevor; Hollins, Mark

    2014-01-01

    In two experiments we examined the ability of humans to exert forces accurately with the fingertips, and to perceive those forces. In experiment 1 participants used visual feedback to apply a range of fingertip forces with the distal pad of the thumb. Participants made magnitude discriminations regarding these forces, and their just noticeable differences were calculated at a series of standards by means of a two-interval, forced-choice tracking paradigm. As the standard increased, participants demonstrated a relative improvement in force discrimination; and the presence of a possible inflection point, at approximately 400 g, suggested that two sensory channels may contribute to performance. If this is the case, the operative channel at low forces is almost certainly the slowly adapting type I (SA-I) channel, while another mechanoreceptor class, the SA-II nail unit, is a plausible mediator of the more accurate performance seen at high force levels. To test this two-channel hypothesis in experiment 2, we hydrated participants' thumbnails in order to reduce nail rigidity and thus prevent stimulation of underlying SA-II mechanoreceptors. This technique was found to reduce sensory accuracy in a force-matching task at high forces (1000 g) while leaving low force matching (100 g) unimpaired. Taken together, these results suggest that two sensory channels mediate the perception of fingertip forces in humans: one channel predominating at low forces (below approximately 400 g) and another responsible for perceiving high forces which is likely mediated by the SA-II nail unit.

  4. Can an Atmospherically Forced Ocean Model Accurately Simulate Sea Surface Temperature During ENSO Events?

    DTIC Science & Technology

    2010-01-01

    and no date-specific assimilation of any data type. The ability of the model in simulating temporal variations of SST anomalies is discussed by...SST data and no date-specific assimilation of any datatype. The ability of the model in simulating temporal variations of SST anomalies is...directly provided by the originator. This clima - tology does not take the existence of ice into account (i.e. treats it as a data void). Thus, we

  5. Accurately Mapping M31's Microlensing Population

    NASA Astrophysics Data System (ADS)

    Crotts, Arlin

    2004-07-01

    We propose to augment an existing microlensing survey of M31 with source identifications provided by a modest amount of ACS {and WFPC2 parallel} observations to yield an accurate measurement of the masses responsible for microlensing in M31, and presumably much of its dark matter. The main benefit of these data is the determination of the physical {or "einstein"} timescale of each microlensing event, rather than an effective {"FWHM"} timescale, allowing masses to be determined more than twice as accurately as without HST data. The einstein timescale is the ratio of the lensing cross-sectional radius and relative velocities. Velocities are known from kinematics, and the cross-section is directly proportional to the {unknown} lensing mass. We cannot easily measure these quantities without knowing the amplification, hence the baseline magnitude, which requires the resolution of HST to find the source star. This makes a crucial difference because M31 lens m ass determinations can be more accurate than those towards the Magellanic Clouds through our Galaxy's halo {for the same number of microlensing events} due to the better constrained geometry in the M31 microlensing situation. Furthermore, our larger survey, just completed, should yield at least 100 M31 microlensing events, more than any Magellanic survey. A small amount of ACS+WFPC2 imaging will deliver the potential of this large database {about 350 nights}. For the whole survey {and a delta-function mass distribution} the mass error should approach only about 15%, or about 6% error in slope for a power-law distribution. These results will better allow us to pinpoint the lens halo fraction, and the shape of the halo lens spatial distribution, and allow generalization/comparison of the nature of halo dark matter in spiral galaxies. In addition, we will be able to establish the baseline magnitude for about 50, 000 variable stars, as well as measure an unprecedentedly deta iled color-magnitude diagram and luminosity

  6. Accurate measurement of unsteady state fluid temperature

    NASA Astrophysics Data System (ADS)

    Jaremkiewicz, Magdalena

    2017-03-01

    In this paper, two accurate methods for determining the transient fluid temperature were presented. Measurements were conducted for boiling water since its temperature is known. At the beginning the thermometers are at the ambient temperature and next they are immediately immersed into saturated water. The measurements were carried out with two thermometers of different construction but with the same housing outer diameter equal to 15 mm. One of them is a K-type industrial thermometer widely available commercially. The temperature indicated by the thermometer was corrected considering the thermometers as the first or second order inertia devices. The new design of a thermometer was proposed and also used to measure the temperature of boiling water. Its characteristic feature is a cylinder-shaped housing with the sheath thermocouple located in its center. The temperature of the fluid was determined based on measurements taken in the axis of the solid cylindrical element (housing) using the inverse space marching method. Measurements of the transient temperature of the air flowing through the wind tunnel using the same thermometers were also carried out. The proposed measurement technique provides more accurate results compared with measurements using industrial thermometers in conjunction with simple temperature correction using the inertial thermometer model of the first or second order. By comparing the results, it was demonstrated that the new thermometer allows obtaining the fluid temperature much faster and with higher accuracy in comparison to the industrial thermometer. Accurate measurements of the fast changing fluid temperature are possible due to the low inertia thermometer and fast space marching method applied for solving the inverse heat conduction problem.

  7. Accurate upwind methods for the Euler equations

    NASA Technical Reports Server (NTRS)

    Huynh, Hung T.

    1993-01-01

    A new class of piecewise linear methods for the numerical solution of the one-dimensional Euler equations of gas dynamics is presented. These methods are uniformly second-order accurate, and can be considered as extensions of Godunov's scheme. With an appropriate definition of monotonicity preservation for the case of linear convection, it can be shown that they preserve monotonicity. Similar to Van Leer's MUSCL scheme, they consist of two key steps: a reconstruction step followed by an upwind step. For the reconstruction step, a monotonicity constraint that preserves uniform second-order accuracy is introduced. Computational efficiency is enhanced by devising a criterion that detects the 'smooth' part of the data where the constraint is redundant. The concept and coding of the constraint are simplified by the use of the median function. A slope steepening technique, which has no effect at smooth regions and can resolve a contact discontinuity in four cells, is described. As for the upwind step, existing and new methods are applied in a manner slightly different from those in the literature. These methods are derived by approximating the Euler equations via linearization and diagonalization. At a 'smooth' interface, Harten, Lax, and Van Leer's one intermediate state model is employed. A modification for this model that can resolve contact discontinuities is presented. Near a discontinuity, either this modified model or a more accurate one, namely, Roe's flux-difference splitting. is used. The current presentation of Roe's method, via the conceptually simple flux-vector splitting, not only establishes a connection between the two splittings, but also leads to an admissibility correction with no conditional statement, and an efficient approximation to Osher's approximate Riemann solver. These reconstruction and upwind steps result in schemes that are uniformly second-order accurate and economical at smooth regions, and yield high resolution at discontinuities.

  8. Climate Models have Accurately Predicted Global Warming

    NASA Astrophysics Data System (ADS)

    Nuccitelli, D. A.

    2016-12-01

    Climate model projections of global temperature changes over the past five decades have proven remarkably accurate, and yet the myth that climate models are inaccurate or unreliable has formed the basis of many arguments denying anthropogenic global warming and the risks it poses to the climate system. Here we compare average global temperature predictions made by both mainstream climate scientists using climate models, and by contrarians using less physically-based methods. We also explore the basis of the myth by examining specific arguments against climate model accuracy and their common characteristics of science denial.

  9. The first accurate description of an aurora

    NASA Astrophysics Data System (ADS)

    Schröder, Wilfried

    2006-12-01

    As technology has advanced, the scientific study of auroral phenomena has increased by leaps and bounds. A look back at the earliest descriptions of aurorae offers an interesting look into how medieval scholars viewed the subjects that we study.Although there are earlier fragmentary references in the literature, the first accurate description of the aurora borealis appears to be that published by the German Catholic scholar Konrad von Megenberg (1309-1374) in his book Das Buch der Natur (The Book of Nature). The book was written between 1349 and 1350.

  10. Determining accurate distances to nearby galaxies

    NASA Astrophysics Data System (ADS)

    Bonanos, Alceste Zoe

    2005-11-01

    Determining accurate distances to nearby or distant galaxies is a very simple conceptually, yet complicated in practice, task. Presently, distances to nearby galaxies are only known to an accuracy of 10-15%. The current anchor galaxy of the extragalactic distance scale is the Large Magellanic Cloud, which has large (10-15%) systematic uncertainties associated with it, because of its morphology, its non-uniform reddening and the unknown metallicity dependence of the Cepheid period-luminosity relation. This work aims to determine accurate distances to some nearby galaxies, and subsequently help reduce the error in the extragalactic distance scale and the Hubble constant H 0 . In particular, this work presents the first distance determination of the DIRECT Project to M33 with detached eclipsing binaries. DIRECT aims to obtain a new anchor galaxy for the extragalactic distance scale by measuring direct, accurate (to 5%) distances to two Local Group galaxies, M31 and M33, with detached eclipsing binaries. It involves a massive variability survey of these galaxies and subsequent photometric and spectroscopic follow-up of the detached binaries discovered. In this work, I also present a catalog of variable stars discovered in one of the DIRECT fields, M31Y, which includes 41 eclipsing binaries. Additionally, we derive the distance to the Draco Dwarf Spheroidal galaxy, with ~100 RR Lyrae found in our first CCD variability study of this galaxy. A "hybrid" method of discovering Cepheids with ground-based telescopes is described next. It involves applying the image subtraction technique on the images obtained from ground-based telescopes and then following them up with the Hubble Space Telescope to derive Cepheid period-luminosity distances. By re-analyzing ESO Very Large Telescope data on M83 (NGC 5236), we demonstrate that this method is much more powerful for detecting variability, especially in crowded fields. I finally present photometry for the Wolf-Rayet binary WR 20a

  11. New law requires 'medically accurate' lesson plans.

    PubMed

    1999-09-17

    The California Legislature has passed a bill requiring all textbooks and materials used to teach about AIDS be medically accurate and objective. Statements made within the curriculum must be supported by research conducted in compliance with scientific methods, and published in peer-reviewed journals. Some of the current lesson plans were found to contain scientifically unsupported and biased information. In addition, the bill requires material to be "free of racial, ethnic, or gender biases." The legislation is supported by a wide range of interests, but opposed by the California Right to Life Education Fund, because they believe it discredits abstinence-only material.

  12. A force calibration standard for magnetic tweezers

    NASA Astrophysics Data System (ADS)

    Yu, Zhongbo; Dulin, David; Cnossen, Jelmer; Köber, Mariana; van Oene, Maarten M.; Ordu, Orkide; Berghuis, Bojk A.; Hensgens, Toivo; Lipfert, Jan; Dekker, Nynke H.

    2014-12-01

    To study the behavior of biological macromolecules and enzymatic reactions under force, advances in single-molecule force spectroscopy have proven instrumental. Magnetic tweezers form one of the most powerful of these techniques, due to their overall simplicity, non-invasive character, potential for high throughput measurements, and large force range. Drawbacks of magnetic tweezers, however, are that accurate determination of the applied forces can be challenging for short biomolecules at high forces and very time-consuming for long tethers at low forces below ˜1 piconewton. Here, we address these drawbacks by presenting a calibration standard for magnetic tweezers consisting of measured forces for four magnet configurations. Each such configuration is calibrated for two commonly employed commercially available magnetic microspheres. We calculate forces in both time and spectral domains by analyzing bead fluctuations. The resulting calibration curves, validated through the use of different algorithms that yield close agreement in their determination of the applied forces, span a range from 100 piconewtons down to tens of femtonewtons. These generalized force calibrations will serve as a convenient resource for magnetic tweezers users and diminish variations between different experimental configurations or laboratories.

  13. Using Scaling for accurate stochastic macroweather forecasts (including the "pause")

    NASA Astrophysics Data System (ADS)

    Lovejoy, Shaun; del Rio Amador, Lenin

    2015-04-01

    At scales corresponding to the lifetimes of structures of planetary extent (about 5 - 10 days), atmospheric processes undergo a drastic "dimensional transition" from high frequency weather to lower frequency macroweather processes. While conventional GCM's generally well reproduce both the transition and the corresponding (scaling) statistics, due to their sensitive dependence on initial conditions, the role of the weather scale processes is to provide random perturbations to the macroweather processes. The main problem with GCM's is thus that their long term (control run, unforced) statistics converge to the GCM climate and this is somewhat different from the real climate. This is the motivation for using a stochastic model and exploiting the empirical scaling properties and past data to make a stochastic model. It turns out that macroweather intermittency is typically low (the multifractal corrections are small) so that they can be approximated by fractional Gaussian Noise (fGN) processes whose memory can be enormous. For example for annual forecasts, and using the observed global temperature exponent, even 50 years of global temperature data would only allow us to exploit 90% of the available memory (for ocean regions, the figure increases to 600 years). The only complication is that anthropogenic effects dominate the global statistics at time scales beyond about 20 years. However, these are easy to remove using the CO2 forcing as a linear surrogate for all the anthropogenic effects. Using this theoretical framework, we show how to make accurate stochastic macroweather forecasts. We illustrate this on monthly and annual scale series of global and northern hemisphere surface temperatures (including nearly perfect hindcasts of the "pause" in the warming since 1998). We obtain forecast skill nearly as high as the theoretical (scaling) predictability limits allow. These scaling hindcasts - using a single effective climate sensitivity and single scaling exponent are

  14. Developmant of a Reparametrized Semi-Empirical Force Field to Compute the Rovibrational Structure of Large PAHs

    NASA Astrophysics Data System (ADS)

    Fortenberry, Ryan

    The Spitzer Space Telescope observation of spectra most likely attributable to diverse and abundant populations of polycyclic aromatic hydrocarbons (PAHs) in space has led to tremendous interest in these molecules as tracers of the physical conditions in different astrophysical regions. A major challenge in using PAHs as molecular tracers is the complexity of the spectral features in the 3-20 μm region. The large number and vibrational similarity of the putative PAHs responsible for these spectra necessitate determination for the most accurate basis spectra possible for comparison. It is essential that these spectra be established in order for the regions explored with the newest generation of observatories such as SOFIA and JWST to be understood. Current strategies to develop these spectra for individual PAHs involve either matrixisolation IR measurements or quantum chemical calculations of harmonic vibrational frequencies. These strategies have been employed to develop the successful PAH IR spectral database as a repository of basis functions used to fit astronomically observed spectra, but they are limited in important ways. Both techniques provide an adequate description of the molecules in their electronic, vibrational, and rotational ground state, but these conditions do not represent energetically hot regions for PAHs near strong radiation fields of stars and are not direct representations of the gas phase. Some non-negligible matrix effects are known in condensed-phase studies, and the inclusion of anharmonicity in quantum chemical calculations is essential to generate physically-relevant results especially for hot bands. While scaling factors in either case can be useful, they are agnostic to the system studied and are not robustly predictive. One strategy that has emerged to calculate the molecular vibrational structure uses vibrational perturbation theory along with a quartic force field (QFF) to account for higher-order derivatives of the potential

  15. A fast continuation scheme for accurate tracing of nonlinear oscillator frequency response functions

    NASA Astrophysics Data System (ADS)

    Chen, Guoqiang; Dunne, J. F.

    2016-12-01

    A new algorithm is proposed to combine the split-frequency harmonic balance method (SF-HBM) with arc-length continuation (ALC) for accurate tracing of the frequency response of oscillators with non-expansible nonlinearities. ALC is incorporated into the SF-HBM in a two-stage procedure: Stage I involves finding a reasonably accurate response frequency and solution using a relatively large number of low-frequency harmonics. This step is achieved using the SF-HBM in conjunction with ALC. Stage II uses the SF-HBM to obtain a very accurate solution at the frequency obtained in Stage I. To guarantee rapid path tracing, the frequency axis is appropriately subdivided. This gives high chance of success in finding a globally optimum set of harmonic coefficients. When approaching a turning point however, arc-lengths are adaptively reduced to obtain a very accurate solution. The combined procedure is tested on three hardening stiffness examples: a Duffing model; an oscillator with non-expansible stiffness and single harmonic forcing; and an oscillator with non-expansible stiffness and multiple-harmonic forcing. The results show that for non-expansible nonlinearities and multiple-harmonic forcing, the proposed algorithm is capable of tracing-out frequency response functions with high accuracy and efficiency.

  16. Accurate taxonomic assignment of short pyrosequencing reads.

    PubMed

    Clemente, José C; Jansson, Jesper; Valiente, Gabriel

    2010-01-01

    Ambiguities in the taxonomy dependent assignment of pyrosequencing reads are usually resolved by mapping each read to the lowest common ancestor in a reference taxonomy of all those sequences that match the read. This conservative approach has the drawback of mapping a read to a possibly large clade that may also contain many sequences not matching the read. A more accurate taxonomic assignment of short reads can be made by mapping each read to the node in the reference taxonomy that provides the best precision and recall. We show that given a suffix array for the sequences in the reference taxonomy, a short read can be mapped to the node of the reference taxonomy with the best combined value of precision and recall in time linear in the size of the taxonomy subtree rooted at the lowest common ancestor of the matching sequences. An accurate taxonomic assignment of short reads can thus be made with about the same efficiency as when mapping each read to the lowest common ancestor of all matching sequences in a reference taxonomy. We demonstrate the effectiveness of our approach on several metagenomic datasets of marine and gut microbiota.

  17. Accurate pose estimation for forensic identification

    NASA Astrophysics Data System (ADS)

    Merckx, Gert; Hermans, Jeroen; Vandermeulen, Dirk

    2010-04-01

    In forensic authentication, one aims to identify the perpetrator among a series of suspects or distractors. A fundamental problem in any recognition system that aims for identification of subjects in a natural scene is the lack of constrains on viewing and imaging conditions. In forensic applications, identification proves even more challenging, since most surveillance footage is of abysmal quality. In this context, robust methods for pose estimation are paramount. In this paper we will therefore present a new pose estimation strategy for very low quality footage. Our approach uses 3D-2D registration of a textured 3D face model with the surveillance image to obtain accurate far field pose alignment. Starting from an inaccurate initial estimate, the technique uses novel similarity measures based on the monogenic signal to guide a pose optimization process. We will illustrate the descriptive strength of the introduced similarity measures by using them directly as a recognition metric. Through validation, using both real and synthetic surveillance footage, our pose estimation method is shown to be accurate, and robust to lighting changes and image degradation.

  18. Accurate Stellar Parameters for Exoplanet Host Stars

    NASA Astrophysics Data System (ADS)

    Brewer, John Michael; Fischer, Debra; Basu, Sarbani; Valenti, Jeff A.

    2015-01-01

    A large impedement to our understanding of planet formation is obtaining a clear picture of planet radii and densities. Although determining precise ratios between planet and stellar host are relatively easy, determining accurate stellar parameters is still a difficult and costly undertaking. High resolution spectral analysis has traditionally yielded precise values for some stellar parameters but stars in common between catalogs from different authors or analyzed using different techniques often show offsets far in excess of their uncertainties. Most analyses now use some external constraint, when available, to break observed degeneracies between surface gravity, effective temperature, and metallicity which can otherwise lead to correlated errors in results. However, these external constraints are impossible to obtain for all stars and can require more costly observations than the initial high resolution spectra. We demonstrate that these discrepencies can be mitigated by use of a larger line list that has carefully tuned atomic line data. We use an iterative modeling technique that does not require external constraints. We compare the surface gravity obtained with our spectral synthesis modeling to asteroseismically determined values for 42 Kepler stars. Our analysis agrees well with only a 0.048 dex offset and an rms scatter of 0.05 dex. Such accurate stellar gravities can reduce the primary source of uncertainty in radii by almost an order of magnitude over unconstrained spectral analysis.

  19. Fast and accurate propagation of coherent light

    PubMed Central

    Lewis, R. D.; Beylkin, G.; Monzón, L.

    2013-01-01

    We describe a fast algorithm to propagate, for any user-specified accuracy, a time-harmonic electromagnetic field between two parallel planes separated by a linear, isotropic and homogeneous medium. The analytical formulation of this problem (ca 1897) requires the evaluation of the so-called Rayleigh–Sommerfeld integral. If the distance between the planes is small, this integral can be accurately evaluated in the Fourier domain; if the distance is very large, it can be accurately approximated by asymptotic methods. In the large intermediate region of practical interest, where the oscillatory Rayleigh–Sommerfeld kernel must be applied directly, current numerical methods can be highly inaccurate without indicating this fact to the user. In our approach, for any user-specified accuracy ϵ>0, we approximate the kernel by a short sum of Gaussians with complex-valued exponents, and then efficiently apply the result to the input data using the unequally spaced fast Fourier transform. The resulting algorithm has computational complexity , where we evaluate the solution on an N×N grid of output points given an M×M grid of input samples. Our algorithm maintains its accuracy throughout the computational domain. PMID:24204184

  20. Improved VCF normalization for accurate VCF comparison.

    PubMed

    Bayat, Arash; Gaëta, Bruno; Ignjatovic, Aleksandar; Parameswaran, Sri

    2017-04-01

    The Variant Call Format (VCF) is widely used to store data about genetic variation. Variant calling workflows detect potential variants in large numbers of short sequence reads generated by DNA sequencing and report them in VCF format. To evaluate the accuracy of variant callers, it is critical to correctly compare their output against a reference VCF file containing a gold standard set of variants. However, comparing VCF files is a complicated task as an individual genomic variant can be represented in several different ways and is therefore not necessarily reported in a unique way by different software. We introduce a VCF normalization method called Best Alignment Normalisation (BAN) that results in more accurate VCF file comparison. BAN applies all the variations in a VCF file to the reference genome to create a sample genome, and then recalls the variants by aligning this sample genome back with the reference genome. Since the purpose of BAN is to get an accurate result at the time of VCF comparison, we define a better normalization method as the one resulting in less disagreement between the outputs of different VCF comparators. The BAN Linux bash script along with required software are publicly available on https://sites.google.com/site/banadf16. A.Bayat@unsw.edu.au. Supplementary data are available at Bioinformatics online.

  1. Accurate shear measurement with faint sources

    SciTech Connect

    Zhang, Jun; Foucaud, Sebastien; Luo, Wentao E-mail: walt@shao.ac.cn

    2015-01-01

    For cosmic shear to become an accurate cosmological probe, systematic errors in the shear measurement method must be unambiguously identified and corrected for. Previous work of this series has demonstrated that cosmic shears can be measured accurately in Fourier space in the presence of background noise and finite pixel size, without assumptions on the morphologies of galaxy and PSF. The remaining major source of error is source Poisson noise, due to the finiteness of source photon number. This problem is particularly important for faint galaxies in space-based weak lensing measurements, and for ground-based images of short exposure times. In this work, we propose a simple and rigorous way of removing the shear bias from the source Poisson noise. Our noise treatment can be generalized for images made of multiple exposures through MultiDrizzle. This is demonstrated with the SDSS and COSMOS/ACS data. With a large ensemble of mock galaxy images of unrestricted morphologies, we show that our shear measurement method can achieve sub-percent level accuracy even for images of signal-to-noise ratio less than 5 in general, making it the most promising technique for cosmic shear measurement in the ongoing and upcoming large scale galaxy surveys.

  2. Accurate basis set truncation for wavefunction embedding

    NASA Astrophysics Data System (ADS)

    Barnes, Taylor A.; Goodpaster, Jason D.; Manby, Frederick R.; Miller, Thomas F.

    2013-07-01

    Density functional theory (DFT) provides a formally exact framework for performing embedded subsystem electronic structure calculations, including DFT-in-DFT and wavefunction theory-in-DFT descriptions. In the interest of efficiency, it is desirable to truncate the atomic orbital basis set in which the subsystem calculation is performed, thus avoiding high-order scaling with respect to the size of the MO virtual space. In this study, we extend a recently introduced projection-based embedding method [F. R. Manby, M. Stella, J. D. Goodpaster, and T. F. Miller III, J. Chem. Theory Comput. 8, 2564 (2012)], 10.1021/ct300544e to allow for the systematic and accurate truncation of the embedded subsystem basis set. The approach is applied to both covalently and non-covalently bound test cases, including water clusters and polypeptide chains, and it is demonstrated that errors associated with basis set truncation are controllable to well within chemical accuracy. Furthermore, we show that this approach allows for switching between accurate projection-based embedding and DFT embedding with approximate kinetic energy (KE) functionals; in this sense, the approach provides a means of systematically improving upon the use of approximate KE functionals in DFT embedding.

  3. Toward Accurate Adsorption Energetics on Clay Surfaces

    PubMed Central

    2016-01-01

    Clay minerals are ubiquitous in nature, and the manner in which they interact with their surroundings has important industrial and environmental implications. Consequently, a molecular-level understanding of the adsorption of molecules on clay surfaces is crucial. In this regard computer simulations play an important role, yet the accuracy of widely used empirical force fields (FF) and density functional theory (DFT) exchange-correlation functionals is often unclear in adsorption systems dominated by weak interactions. Herein we present results from quantum Monte Carlo (QMC) for water and methanol adsorption on the prototypical clay kaolinite. To the best of our knowledge, this is the first time QMC has been used to investigate adsorption at a complex, natural surface such as a clay. As well as being valuable in their own right, the QMC benchmarks obtained provide reference data against which the performance of cheaper DFT methods can be tested. Indeed using various DFT exchange-correlation functionals yields a very broad range of adsorption energies, and it is unclear a priori which evaluation is better. QMC reveals that in the systems considered here it is essential to account for van der Waals (vdW) dispersion forces since this alters both the absolute and relative adsorption energies of water and methanol. We show, via FF simulations, that incorrect relative energies can lead to significant changes in the interfacial densities of water and methanol solutions at the kaolinite interface. Despite the clear improvements offered by the vdW-corrected and the vdW-inclusive functionals, absolute adsorption energies are often overestimated, suggesting that the treatment of vdW forces in DFT is not yet a solved problem. PMID:27917256

  4. Accurate Evaluation of the Dispersion Energy in the Simulation of Gas Adsorption into Porous Zeolites.

    PubMed

    Fraccarollo, Alberto; Canti, Lorenzo; Marchese, Leonardo; Cossi, Maurizio

    2017-03-07

    The force fields used to simulate the gas adsorption in porous materials are strongly dominated by the van der Waals (vdW) terms. Here we discuss the delicate problem to estimate these terms accurately, analyzing the effect of different models. To this end, we simulated the physisorption of CH4, CO2, and Ar into various Al-free microporous zeolites (ITQ-29, SSZ-13, and silicalite-1), comparing the theoretical results with accurate experimental isotherms. The vdW terms in the force fields were parametrized against the free gas densities and high-level quantum mechanical (QM) calculations, comparing different methods to evaluate the dispersion energies. In particular, MP2 and DFT with semiempirical corrections, with suitable basis sets, were chosen to approximate the best QM calculations; either Lennard-Jones or Morse expressions were used to include the vdW terms in the force fields. The comparison of the simulated and experimental isotherms revealed that a strong interplay exists between the definition of the dispersion energies and the functional form used in the force field; these results are fairly general and reproducible, at least for the systems considered here. On this basis, the reliability of different models can be discussed, and a recipe can be provided to obtain accurate simulated adsorption isotherms.

  5. Measurement of electroweak-induced production of W gamma with two jets in pp collisions at sqrt(s)=8 TeV and constraints on anomalous quartic gauge couplings

    SciTech Connect

    Khachatryan, Vardan; et al.

    2016-12-29

    A measurement of electroweak-induced production of W gamma and two jets is performed, where the W boson decays leptonically. The data used in the analysis correspond to an integrated luminosity of 19.7 inverse femtobarns collected by the CMS experiment in sqrt(s)=8 TeV proton-proton collisions produced at the LHC. Candidate events are selected with exactly one muon or electron, missing transverse momentum, one photon, and two jets with large rapidity separation. An excess over the hypothesis of the standard model without electroweak production of W gamma with two jets is observed with a significance of 2.7 standard deviations, corresponding to an upper limit on the electroweak signal strength of 4.3 times the standard model expectation at 95% confidence level. The cross section measured in the fiducial region is 10.8 +/- 4.1 (stat) +/- 3.4 (syst) +/- 0.3 (lum) fb, which is consistent with the standard model electroweak prediction. The total cross section for W gamma in association with two jets in the same fiducial region is measured to be 23.2 +/- 4.3 (stat) +/- 1.7 (syst) +/- 0.6 (lum) fb, which is consistent with the standard model prediction from the combination of electroweak- and quantum chromodynamics-induced processes. No deviations are observed from the standard model predictions and experimental limits on anomalous quartic gauge couplings f[M,0-7]/\\Lambda^4, f[T,0-2]/\\Lambda^4, and f[T,5-7]/\\Lambda^4 are set at 95% confidence level.

  6. Measurement of electroweak-induced production of Wγ with two jets in pp collisions at $$ \\sqrt{s}=8 $$ TeV and constraints on anomalous quartic gauge couplings

    DOE PAGES

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; ...

    2017-06-20

    A measurement of electroweak-induced production of Wγ and two jets is performed, where the W boson decays leptonically. The data used in the analysis correspond to an integrated luminosity of 19.7 fb–1 collected by the CMS experiment in √s = 8 TeV proton-proton collisions produced at the LHC. Candidate events are selected with exactly one muon or electron, missing transverse momentum, one photon, and two jets with large rapidity separation. An excess over the hypothesis of the standard model without electroweak production of Wγ with two jets is observed with a significance of 2.7 standard deviations. The cross sectionmore » measured in the fiducial region is 10.8 ± 4.1(stat) ± 3.4(syst) ± 0.3(lumi) fb, which is consistent with the standard model electroweak prediction. The total cross section for Wγ in association with two jets in the same fiducial region is measured to be 23.2 ± 4.3(stat) ± 1.7(syst) ± 0.6(lumi) fb, which is consistent with the standard model prediction from the combination of electroweak and quantum chromodynamics-induced processes. As a result, no deviations are observed from the standard model predictions and experimental limits on anomalous quartic gauge couplings fM,0–7/Λ4, fT,0–2/Λ4, and fT,5–7/Λ4 are set at 95% confidence level.« less

  7. The effect of force feedback delay on stiffness perception and grip force modulation during tool-mediated interaction with elastic force fields.

    PubMed

    Leib, Raz; Karniel, Amir; Nisky, Ilana

    2015-05-01

    During interaction with objects, we form an internal representation of their mechanical properties. This representation is used for perception and for guiding actions, such as in precision grip, where grip force is modulated with the predicted load forces. In this study, we explored the relationship between grip force adjustment and perception of stiffness during interaction with linear elastic force fields. In a forced-choice paradigm, participants probed pairs of virtual force fields while grasping a force sensor that was attached to a haptic device. For each pair, they were asked which field had higher level of stiffness. In half of the pairs, the force feedback of one of the fields was delayed. Participants underestimated the stiffness of the delayed field relatively to the nondelayed, but their grip force characteristics were similar in both conditions. We analyzed the magnitude of the grip force and the lag between the grip force and the load force in the exploratory probing movements within each trial. Right before answering which force field had higher level of stiffness, both magnitude and lag were similar between delayed and nondelayed force fields. These results suggest that an accurate internal representation of environment stiffness and time delay was used for adjusting the grip force. However, this representation did not help in eliminating the bias in stiffness perception. We argue that during performance of a perceptual task that is based on proprioceptive feedback, separate neural mechanisms are responsible for perception and action-related computations in the brain.

  8. The effect of force feedback delay on stiffness perception and grip force modulation during tool-mediated interaction with elastic force fields

    PubMed Central

    Karniel, Amir; Nisky, Ilana

    2015-01-01

    During interaction with objects, we form an internal representation of their mechanical properties. This representation is used for perception and for guiding actions, such as in precision grip, where grip force is modulated with the predicted load forces. In this study, we explored the relationship between grip force adjustment and perception of stiffness during interaction with linear elastic force fields. In a forced-choice paradigm, participants probed pairs of virtual force fields while grasping a force sensor that was attached to a haptic device. For each pair, they were asked which field had higher level of stiffness. In half of the pairs, the force feedback of one of the fields was delayed. Participants underestimated the stiffness of the delayed field relatively to the nondelayed, but their grip force characteristics were similar in both conditions. We analyzed the magnitude of the grip force and the lag between the grip force and the load force in the exploratory probing movements within each trial. Right before answering which force field had higher level of stiffness, both magnitude and lag were similar between delayed and nondelayed force fields. These results suggest that an accurate internal representation of environment stiffness and time delay was used for adjusting the grip force. However, this representation did not help in eliminating the bias in stiffness perception. We argue that during performance of a perceptual task that is based on proprioceptive feedback, separate neural mechanisms are responsible for perception and action-related computations in the brain. PMID:25717155

  9. Stress fluctuations in granular force networks

    NASA Astrophysics Data System (ADS)

    Tighe, Brian P.; Vlugt, Thijs J. H.

    2011-04-01

    The heterogeneous force networks in static granular media are distinguished from other network structures in that they must satisfy constraints of mechanical equilibrium on every vertex/grain. Here we study the statistics of ensembles of hyperstatic frictionless force networks, which are composed of more forces than can be determined uniquely from force balance. Hyperstatic force networks possess degrees of freedom that rearrange one balanced network into another. We calculate the equation of state and demonstrate that the number of rearrangements governs the macroscopic statistical properties of the ensemble, in particular the macroscopic fluctuations of stress, which scale with distance to the isostatic point. We then show that a maximum entropy postulate allows one to quantitatively capture many features of the microscopic statistics. All predictions are tested against highly accurate Monte Carlo numerical simulations employing umbrella sampling.

  10. Achieving perceptually-accurate aural telepresence

    NASA Astrophysics Data System (ADS)

    Henderson, Paul D.

    Immersive multimedia requires not only realistic visual imagery but also a perceptually-accurate aural experience. A sound field may be presented simultaneously to a listener via a loudspeaker rendering system using the direct sound from acoustic sources as well as a simulation or "auralization" of room acoustics. Beginning with classical Wave-Field Synthesis (WFS), improvements are made to correct for asymmetries in loudspeaker array geometry. Presented is a new Spatially-Equalized WFS (SE-WFS) technique to maintain the energy-time balance of a simulated room by equalizing the reproduced spectrum at the listener for a distribution of possible source angles. Each reproduced source or reflection is filtered according to its incidence angle to the listener. An SE-WFS loudspeaker array of arbitrary geometry reproduces the sound field of a room with correct spectral and temporal balance, compared with classically-processed WFS systems. Localization accuracy of human listeners in SE-WFS sound fields is quantified by psychoacoustical testing. At a loudspeaker spacing of 0.17 m (equivalent to an aliasing cutoff frequency of 1 kHz), SE-WFS exhibits a localization blur of 3 degrees, nearly equal to real point sources. Increasing the loudspeaker spacing to 0.68 m (for a cutoff frequency of 170 Hz) results in a blur of less than 5 degrees. In contrast, stereophonic reproduction is less accurate with a blur of 7 degrees. The ventriloquist effect is psychometrically investigated to determine the effect of an intentional directional incongruence between audio and video stimuli. Subjects were presented with prerecorded full-spectrum speech and motion video of a talker's head as well as broadband noise bursts with a static image. The video image was displaced from the audio stimulus in azimuth by varying amounts, and the perceived auditory location measured. A strong bias was detectable for small angular discrepancies between audio and video stimuli for separations of less than 8

  11. The swim force as a body force

    NASA Astrophysics Data System (ADS)

    Yan, Wen; Brady, John

    2015-11-01

    Net (as opposed to random) motion of active matter results from an average swim (or propulsive) force. It is shown that the average swim force acts like a body force - an internal body force [Yan and Brady, Soft Matter, DOI:10.1039/C5SM01318F]. As a result, the particle-pressure exerted on a container wall is the sum of the swim pressure [Takatori et al., Phys. Rev. Lett., 2014, 113, 028103] and the `weight' of the active particles. A continuum mechanical description is possible when variations occur on scales larger than the run length of the active particles and gives a Boltzmann-like distribution from a balance of the swim force and the swim pressure. Active particles may also display `action at a distance' and accumulate adjacent to (or be depleted from) a boundary without any external forces. In the momentum balance for the suspension - the mixture of active particles plus fluid - only external body forces appear.

  12. Accurate Thermal Stresses for Beams: Normal Stress

    NASA Technical Reports Server (NTRS)

    Johnson, Theodore F.; Pilkey, Walter D.

    2003-01-01

    Formulations for a general theory of thermoelasticity to generate accurate thermal stresses for structural members of aeronautical vehicles were developed in 1954 by Boley. The formulation also provides three normal stresses and a shear stress along the entire length of the beam. The Poisson effect of the lateral and transverse normal stresses on a thermally loaded beam is taken into account in this theory by employing an Airy stress function. The Airy stress function enables the reduction of the three-dimensional thermal stress problem to a two-dimensional one. Numerical results from the general theory of thermoelasticity are compared to those obtained from strength of materials. It is concluded that the theory of thermoelasticity for prismatic beams proposed in this paper can be used instead of strength of materials when precise stress results are desired.

  13. Accurate Thermal Stresses for Beams: Normal Stress

    NASA Technical Reports Server (NTRS)

    Johnson, Theodore F.; Pilkey, Walter D.

    2002-01-01

    Formulations for a general theory of thermoelasticity to generate accurate thermal stresses for structural members of aeronautical vehicles were developed in 1954 by Boley. The formulation also provides three normal stresses and a shear stress along the entire length of the beam. The Poisson effect of the lateral and transverse normal stresses on a thermally loaded beam is taken into account in this theory by employing an Airy stress function. The Airy stress function enables the reduction of the three-dimensional thermal stress problem to a two-dimensional one. Numerical results from the general theory of thermoelasticity are compared to those obtained from strength of materials. It is concluded that the theory of thermoelasticity for prismatic beams proposed in this paper can be used instead of strength of materials when precise stress results are desired.

  14. Micron Accurate Absolute Ranging System: Range Extension

    NASA Technical Reports Server (NTRS)

    Smalley, Larry L.; Smith, Kely L.

    1999-01-01

    The purpose of this research is to investigate Fresnel diffraction as a means of obtaining absolute distance measurements with micron or greater accuracy. It is believed that such a system would prove useful to the Next Generation Space Telescope (NGST) as a non-intrusive, non-contact measuring system for use with secondary concentrator station-keeping systems. The present research attempts to validate past experiments and develop ways to apply the phenomena of Fresnel diffraction to micron accurate measurement. This report discusses past research on the phenomena, and the basis of the use Fresnel diffraction distance metrology. The apparatus used in the recent investigations, experimental procedures used, preliminary results are discussed in detail. Continued research and equipment requirements on the extension of the effective range of the Fresnel diffraction systems is also described.

  15. Toward Accurate and Quantitative Comparative Metagenomics.

    PubMed

    Nayfach, Stephen; Pollard, Katherine S

    2016-08-25

    Shotgun metagenomics and computational analysis are used to compare the taxonomic and functional profiles of microbial communities. Leveraging this approach to understand roles of microbes in human biology and other environments requires quantitative data summaries whose values are comparable across samples and studies. Comparability is currently hampered by the use of abundance statistics that do not estimate a meaningful parameter of the microbial community and biases introduced by experimental protocols and data-cleaning approaches. Addressing these challenges, along with improving study design, data access, metadata standardization, and analysis tools, will enable accurate comparative metagenomics. We envision a future in which microbiome studies are replicable and new metagenomes are easily and rapidly integrated with existing data. Only then can the potential of metagenomics for predictive ecological modeling, well-powered association studies, and effective microbiome medicine be fully realized. Copyright © 2016 Elsevier Inc. All rights reserved.

  16. Toward Accurate and Quantitative Comparative Metagenomics

    PubMed Central

    Nayfach, Stephen; Pollard, Katherine S.

    2016-01-01

    Shotgun metagenomics and computational analysis are used to compare the taxonomic and functional profiles of microbial communities. Leveraging this approach to understand roles of microbes in human biology and other environments requires quantitative data summaries whose values are comparable across samples and studies. Comparability is currently hampered by the use of abundance statistics that do not estimate a meaningful parameter of the microbial community and biases introduced by experimental protocols and data-cleaning approaches. Addressing these challenges, along with improving study design, data access, metadata standardization, and analysis tools, will enable accurate comparative metagenomics. We envision a future in which microbiome studies are replicable and new metagenomes are easily and rapidly integrated with existing data. Only then can the potential of metagenomics for predictive ecological modeling, well-powered association studies, and effective microbiome medicine be fully realized. PMID:27565341

  17. Practical aspects of spatially high accurate methods

    NASA Technical Reports Server (NTRS)

    Godfrey, Andrew G.; Mitchell, Curtis R.; Walters, Robert W.

    1992-01-01

    The computational qualities of high order spatially accurate methods for the finite volume solution of the Euler equations are presented. Two dimensional essentially non-oscillatory (ENO), k-exact, and 'dimension by dimension' ENO reconstruction operators are discussed and compared in terms of reconstruction and solution accuracy, computational cost and oscillatory behavior in supersonic flows with shocks. Inherent steady state convergence difficulties are demonstrated for adaptive stencil algorithms. An exact solution to the heat equation is used to determine reconstruction error, and the computational intensity is reflected in operation counts. Standard MUSCL differencing is included for comparison. Numerical experiments presented include the Ringleb flow for numerical accuracy and a shock reflection problem. A vortex-shock interaction demonstrates the ability of the ENO scheme to excel in simulating unsteady high-frequency flow physics.

  18. Accurate Telescope Mount Positioning with MEMS Accelerometers

    NASA Astrophysics Data System (ADS)

    Mészáros, L.; Jaskó, A.; Pál, A.; Csépány, G.

    2014-08-01

    This paper describes the advantages and challenges of applying microelectromechanical accelerometer systems (MEMS accelerometers) in order to attain precise, accurate and stateless positioning of telescope mounts. This provides a completely independent method from other forms of electronic, optical, mechanical or magnetic feedback or real-time astrometry. Our goal is to reach the sub-arcminute range which is well smaller than the field-of-view of conventional imaging telescope systems. Here we present how this sub-arcminute accuracy can be achieved with very cheap MEMS sensors and we also detail how our procedures can be extended in order to attain even finer measurements. In addition, our paper discusses how can a complete system design be implemented in order to be a part of a telescope control system.

  19. Accurate metacognition for visual sensory memory representations.

    PubMed

    Vandenbroucke, Annelinde R E; Sligte, Ilja G; Barrett, Adam B; Seth, Anil K; Fahrenfort, Johannes J; Lamme, Victor A F

    2014-04-01

    The capacity to attend to multiple objects in the visual field is limited. However, introspectively, people feel that they see the whole visual world at once. Some scholars suggest that this introspective feeling is based on short-lived sensory memory representations, whereas others argue that the feeling of seeing more than can be attended to is illusory. Here, we investigated this phenomenon by combining objective memory performance with subjective confidence ratings during a change-detection task. This allowed us to compute a measure of metacognition--the degree of knowledge that subjects have about the correctness of their decisions--for different stages of memory. We show that subjects store more objects in sensory memory than they can attend to but, at the same time, have similar metacognition for sensory memory and working memory representations. This suggests that these subjective impressions are not an illusion but accurate reflections of the richness of visual perception.

  20. Obtaining accurate translations from expressed sequence tags.

    PubMed

    Wasmuth, James; Blaxter, Mark

    2009-01-01

    The genomes of an increasing number of species are being investigated through the generation of expressed sequence tags (ESTs). However, ESTs are prone to sequencing errors and typically define incomplete transcripts, making downstream annotation difficult. Annotation would be greatly improved with robust polypeptide translations. Many current solutions for EST translation require a large number of full-length gene sequences for training purposes, a resource that is not available for the majority of EST projects. As part of our ongoing EST programs investigating these "neglected" genomes, we have developed a polypeptide prediction pipeline, prot4EST. It incorporates freely available software to produce final translations that are more accurate than those derived from any single method. We describe how this integrated approach goes a long way to overcoming the deficit in training data.

  1. LSM: perceptually accurate line segment merging

    NASA Astrophysics Data System (ADS)

    Hamid, Naila; Khan, Nazar

    2016-11-01

    Existing line segment detectors tend to break up perceptually distinct line segments into multiple segments. We propose an algorithm for merging such broken segments to recover the original perceptually accurate line segments. The algorithm proceeds by grouping line segments on the basis of angular and spatial proximity. Then those line segment pairs within each group that satisfy unique, adaptive mergeability criteria are successively merged to form a single line segment. This process is repeated until no more line segments can be merged. We also propose a method for quantitative comparison of line segment detection algorithms. Results on the York Urban dataset show that our merged line segments are closer to human-marked ground-truth line segments compared to state-of-the-art line segment detection algorithms.

  2. Magnetic ranging tool accurately guides replacement well

    SciTech Connect

    Lane, J.B.; Wesson, J.P. )

    1992-12-21

    This paper reports on magnetic ranging surveys and directional drilling technology which accurately guided a replacement well bore to intersect a leaking gas storage well with casing damage. The second well bore was then used to pump cement into the original leaking casing shoe. The repair well bore kicked off from the surface hole, bypassed casing damage in the middle of the well, and intersected the damaged well near the casing shoe. The repair well was subsequently completed in the gas storage zone near the original well bore, salvaging the valuable bottom hole location in the reservoir. This method would prevent the loss of storage gas, and it would prevent a potential underground blowout that could permanently damage the integrity of the storage field.

  3. Apparatus for accurately measuring high temperatures

    DOEpatents

    Smith, Douglas D.

    1985-01-01

    The present invention is a thermometer used for measuring furnace temperaes in the range of about 1800.degree. to 2700.degree. C. The thermometer comprises a broadband multicolor thermal radiation sensor positioned to be in optical alignment with the end of a blackbody sight tube extending into the furnace. A valve-shutter arrangement is positioned between the radiation sensor and the sight tube and a chamber for containing a charge of high pressure gas is positioned between the valve-shutter arrangement and the radiation sensor. A momentary opening of the valve shutter arrangement allows a pulse of the high gas to purge the sight tube of air-borne thermal radiation contaminants which permits the radiation sensor to accurately measure the thermal radiation emanating from the end of the sight tube.

  4. Apparatus for accurately measuring high temperatures

    DOEpatents

    Smith, D.D.

    The present invention is a thermometer used for measuring furnace temperatures in the range of about 1800/sup 0/ to 2700/sup 0/C. The thermometer comprises a broadband multicolor thermal radiation sensor positioned to be in optical alignment with the end of a blackbody sight tube extending into the furnace. A valve-shutter arrangement is positioned between the radiation sensor and the sight tube and a chamber for containing a charge of high pressure gas is positioned between the valve-shutter arrangement and the radiation sensor. A momentary opening of the valve shutter arrangement allows a pulse of the high gas to purge the sight tube of air-borne thermal radiation contaminants which permits the radiation sensor to accurately measure the thermal radiation emanating from the end of the sight tube.

  5. Accurate Spacecraft Positioning by VLBI Imaging

    NASA Astrophysics Data System (ADS)

    Zheng, Weimin; Tong, Fengxian; Shu, Fengchun

    2016-12-01

    VLBI is a radio astronomy technique with very high space angle resolution, and the Chinese VLBI Network has played an important role in the Chang'E series lunar mission. In the upcoming Chinese lunar and deep space missions, the ability to achieve higher resolution angular positions will be necessary. For these reasons, we have carried out research into accurate spacecraft positioning and have conducted several space vehicle phase-referencing positioning experiments using the Chinese VLBI Network and other VLBI antennas. This paper shows the VLBI spacecraft imaging position experiment results for the Chang'E lunar probes, the Mars Express probe, and the Rosetta probe. The results have validated phase reference VLBI with the milli-arcsecond level position resolution for deep space probes.

  6. Accurate radio positions with the Tidbinbilla interferometer

    NASA Technical Reports Server (NTRS)

    Batty, M. J.; Gulkis, S.; Jauncey, D. L.; Rayner, P. T.

    1979-01-01

    The Tidbinbilla interferometer (Batty et al., 1977) is designed specifically to provide accurate radio position measurements of compact radio sources in the Southern Hemisphere with high sensitivity. The interferometer uses the 26-m and 64-m antennas of the Deep Space Network at Tidbinbilla, near Canberra. The two antennas are separated by 200 m on a north-south baseline. By utilizing the existing antennas and the low-noise traveling-wave masers at 2.29 GHz, it has been possible to produce a high-sensitivity instrument with a minimum of capital expenditure. The north-south baseline ensures that a good range of UV coverage is obtained, so that sources lying in the declination range between about -80 and +30 deg may be observed with nearly orthogonal projected baselines of no less than about 1000 lambda. The instrument also provides high-accuracy flux density measurements for compact radio sources.

  7. Highly accurate articulated coordinate measuring machine

    DOEpatents

    Bieg, Lothar F.; Jokiel, Jr., Bernhard; Ensz, Mark T.; Watson, Robert D.

    2003-12-30

    Disclosed is a highly accurate articulated coordinate measuring machine, comprising a revolute joint, comprising a circular encoder wheel, having an axis of rotation; a plurality of marks disposed around at least a portion of the circumference of the encoder wheel; bearing means for supporting the encoder wheel, while permitting free rotation of the encoder wheel about the wheel's axis of rotation; and a sensor, rigidly attached to the bearing means, for detecting the motion of at least some of the marks as the encoder wheel rotates; a probe arm, having a proximal end rigidly attached to the encoder wheel, and having a distal end with a probe tip attached thereto; and coordinate processing means, operatively connected to the sensor, for converting the output of the sensor into a set of cylindrical coordinates representing the position of the probe tip relative to a reference cylindrical coordinate system.

  8. General lysosomal hydrolysis can process prorenin accurately.

    PubMed

    Xa, Lucie K; Lacombe, Marie-Josée; Mercure, Chantal; Lazure, Claude; Reudelhuber, Timothy L

    2014-09-01

    Renin, an aspartyl protease that catalyzes the rate-limiting step of the renin-angiotensin system, is first synthesized as an inactive precursor, prorenin. Prorenin is activated by the proteolytic removal of an amino terminal prosegment in the dense granules of the juxtaglomerular (JG) cells of the kidney by one or more proteases whose identity is uncertain but commonly referred to as the prorenin-processing enzyme (PPE). Because several extrarenal tissues secrete only prorenin, we tested the hypothesis that the unique ability of JG cells to produce active renin might be explained by the existence of a PPE whose expression is restricted to JG cells. We found that inducing renin production by the mouse kidney by up to 20-fold was not associated with the concomitant induction of candidate PPEs. Because the renin-containing granules of JG cells also contain several lysosomal hydrolases, we engineered mouse Ren1 prorenin to be targeted to the classical vesicular lysosomes of cultured HEK-293 cells, where it was accurately processed and stored. Furthermore, we found that HEK cell lysosomes hydrolyzed any artificial extensions placed on the protein and that active renin was extraordinarily resistant to proteolytic degradation. Altogether, our results demonstrate that accurate processing of prorenin is not restricted to JG cells but can occur in classical vesicular lysosomes of heterologous cells. The implication is that renin production may not require a specific PPE but rather can be achieved by general hydrolysis in the lysosome-like granules of JG cells. Copyright © 2014 the American Physiological Society.

  9. The high cost of accurate knowledge.

    PubMed

    Sutcliffe, Kathleen M; Weber, Klaus

    2003-05-01

    Many business thinkers believe it's the role of senior managers to scan the external environment to monitor contingencies and constraints, and to use that precise knowledge to modify the company's strategy and design. As these thinkers see it, managers need accurate and abundant information to carry out that role. According to that logic, it makes sense to invest heavily in systems for collecting and organizing competitive information. Another school of pundits contends that, since today's complex information often isn't precise anyway, it's not worth going overboard with such investments. In other words, it's not the accuracy and abundance of information that should matter most to top executives--rather, it's how that information is interpreted. After all, the role of senior managers isn't just to make decisions; it's to set direction and motivate others in the face of ambiguities and conflicting demands. Top executives must interpret information and communicate those interpretations--they must manage meaning more than they must manage information. So which of these competing views is the right one? Research conducted by academics Sutcliffe and Weber found that how accurate senior executives are about their competitive environments is indeed less important for strategy and corresponding organizational changes than the way in which they interpret information about their environments. Investments in shaping those interpretations, therefore, may create a more durable competitive advantage than investments in obtaining and organizing more information. And what kinds of interpretations are most closely linked with high performance? Their research suggests that high performers respond positively to opportunities, yet they aren't overconfident in their abilities to take advantage of those opportunities.

  10. Accurate Modeling of Scaffold Hopping Transformations in Drug Discovery.

    PubMed

    Wang, Lingle; Deng, Yuqing; Wu, Yujie; Kim, Byungchan; LeBard, David N; Wandschneider, Dan; Beachy, Mike; Friesner, Richard A; Abel, Robert

    2017-01-10

    The accurate prediction of protein-ligand binding free energies remains a significant challenge of central importance in computational biophysics and structure-based drug design. Multiple recent advances including the development of greatly improved protein and ligand molecular mechanics force fields, more efficient enhanced sampling methods, and low-cost powerful GPU computing clusters have enabled accurate and reliable predictions of relative protein-ligand binding free energies through the free energy perturbation (FEP) methods. However, the existing FEP methods can only be used to calculate the relative binding free energies for R-group modifications or single-atom modifications and cannot be used to efficiently evaluate scaffold hopping modifications to a lead molecule. Scaffold hopping or core hopping, a very common design strategy in drug discovery projects, is critical not only in the early stages of a discovery campaign where novel active matter must be identified but also in lead optimization where the resolution of a variety of ADME/Tox problems may require identification of a novel core structure. In this paper, we introduce a method that enables theoretically rigorous, yet computationally tractable, relative protein-ligand binding free energy calculations to be pursued for scaffold hopping modifications. We apply the method to six pharmaceutically interesting cases where diverse types of scaffold hopping modifications were required to identify the drug molecules ultimately sent into the clinic. For these six diverse cases, the predicted binding affinities were in close agreement with experiment, demonstrating the wide applicability and the significant impact Core Hopping FEP may provide in drug discovery projects.

  11. Forced Oscillations of Supported Drops

    NASA Technical Reports Server (NTRS)

    Wilkes, Edward D.; Basaran, Osman A.

    1996-01-01

    Oscillations of supported liquid drops are the subject of wide scientific interest, with applications in areas as diverse as liquid-liquid extraction, synthesis of ceramic powders, growing of pure crystals in low gravity, and measurement of dynamic surface tension. In this research, axisymmetric forced oscillations of arbitrary amplitude of viscous liquid drops of fixed volume which are pendant from or sessile on a rod with a fixed or moving contact line and surrounded by an inviscid ambient gas are induced by moving the rod in the vertical direction sinusiodally in time. In this paper, a preliminary report is made on the computational analysis of the oscillations of supported drops that have 'clean' interfaces and whose contact lines remain fixed throughout their motions. The relative importance of forcing to damping can be increased by either increasing the amplitude of rod motion A or Reynolds number Re. It is shown that as the ratio of forcing to damping rises, for drops starting from an initial rest state a sharp increase in deformation can occur when they are forced to oscillate in the vicinity of their resonance frequencies, indicating the incipience of hysteresis. However, it is also shown that the existence of a second stable limit cycle and the occurrence of hysteresis can be observed if the drop is subjected to a so-called frequency sweep, where the forcing frequency is first increased and then decreased over a suitable range. Because the change in drop deformation response is abrupt in the vicinity of the forcing frequencies where hysteresis occurs, it should be possible to exploit the phenomenon to accurately measure the viscosity and surface tension of the drop liquid.

  12. Approaching system equilibrium with accurate or not accurate feedback information in a two-route system

    NASA Astrophysics Data System (ADS)

    Zhao, Xiao-mei; Xie, Dong-fan; Li, Qi

    2015-02-01

    With the development of intelligent transport system, advanced information feedback strategies have been developed to reduce traffic congestion and enhance the capacity. However, previous strategies provide accurate information to travelers and our simulation results show that accurate information brings negative effects, especially in delay case. Because travelers prefer to the best condition route with accurate information, and delayed information cannot reflect current traffic condition but past. Then travelers make wrong routing decisions, causing the decrease of the capacity and the increase of oscillations and the system deviating from the equilibrium. To avoid the negative effect, bounded rationality is taken into account by introducing a boundedly rational threshold BR. When difference between two routes is less than the BR, routes have equal probability to be chosen. The bounded rationality is helpful to improve the efficiency in terms of capacity, oscillation and the gap deviating from the system equilibrium.

  13. Seismic Waves, 4th order accurate

    SciTech Connect

    2013-08-16

    SW4 is a program for simulating seismic wave propagation on parallel computers. SW4 colves the seismic wave equations in Cartesian corrdinates. It is therefore appropriate for regional simulations, where the curvature of the earth can be neglected. SW4 implements a free surface boundary condition on a realistic topography, absorbing super-grid conditions on the far-field boundaries, and a kinematic source model consisting of point force and/or point moment tensor source terms. SW4 supports a fully 3-D heterogeneous material model that can be specified in several formats. SW4 can output synthetic seismograms in an ASCII test format, or in the SAC finary format. It can also present simulation information as GMT scripts, whixh can be used to create annotated maps. Furthermore, SW4 can output the solution as well as the material model along 2-D grid planes.

  14. Higher order accurate partial implicitization: An unconditionally stable fourth-order-accurate explicit numerical technique

    NASA Technical Reports Server (NTRS)

    Graves, R. A., Jr.

    1975-01-01

    The previously obtained second-order-accurate partial implicitization numerical technique used in the solution of fluid dynamic problems was modified with little complication to achieve fourth-order accuracy. The Von Neumann stability analysis demonstrated the unconditional linear stability of the technique. The order of the truncation error was deduced from the Taylor series expansions of the linearized difference equations and was verified by numerical solutions to Burger's equation. For comparison, results were also obtained for Burger's equation using a second-order-accurate partial-implicitization scheme, as well as the fourth-order scheme of Kreiss.

  15. Exploiting a nonlinear restoring force to improve the performance of flow energy harvesters

    NASA Astrophysics Data System (ADS)

    Bibo, Amin; Alhadidi, Ali H.; Daqaq, Mohammed F.

    2015-01-01

    This paper investigates employing a nonlinear restoring force to improve the performance of flow energy harvesters (FEHs). To that end, a galloping FEH possessing a quartic potential energy function of the form V =1/2 μy2+1/4 γy4 is considered. This potential function is used to model either a softening (μ > 0, γ < 0), hardening (μ > 0, γ > 0), or bi-stable (μ < 0, γ > 0) restoring force. A physics-based model of the harvester is obtained assuming piezoelectric transduction and a quasi-steady flow field. The model is validated against experimental data and used to obtain a closed-form solution of the response by employing a multiple scaling perturbation analysis using the Jacobi elliptic functions. The attained solution is subsequently used to investigate the influence of the nonlinearity on the performance of the harvester and to illustrate how to optimize the restoring force in order to maximize the output power for given design conditions and airflow parameters. Specifically, it is shown that for similar design parameters and equal magnitudes of μ, and γ, a bi-stable energy harvester outperforms all other configurations as long as the inter-well motions are activated. On the other hand, if the motion of the bi-stable harvester is limited to a single well, then a harvester incorporating a softening nonlinear restoring force outperforms all other configurations. Furthermore, when comparing two FEHs incorporating the same type of restoring force at the optimal load and similar values of μ, then the FEH with the smaller γ is shown to provide higher output power levels.

  16. A submillimetric 3-DOF force sensing instrument with integrated fiber Bragg grating for retinal microsurgery.

    PubMed

    He, Xingchi; Handa, James; Gehlbach, Peter; Taylor, Russell; Iordachita, Iulian

    2014-02-01

    Vitreoretinal surgery requires very fine motor control to perform precise manipulation of the delicate tissue in the interior of the eye. Besides physiological hand tremor, fatigue, poor kinesthetic feedback, and patient movement, the absence of force sensing is one of the main technical challenges. Previous two degrees of freedom (DOF) force sensing instruments have demonstrated robust force measuring performance. The main design challenge is to incorporate high sensitivity axial force sensing. This paper reports the development of a submillimetric 3-DOF force sensing pick instrument based on fiber Bragg grating (FBG) sensors. The configuration of the four FBG sensors is arranged to maximize the decoupling between axial and transverse force sensing. A superelastic nitinol flexure is designed to achieve high axial force sensitivity. An automated calibration system was developed for repeatability testing, calibration, and validation. Experimental results demonstrate a FBG sensor repeatability of 1.3 pm. The linear model for calculating the transverse forces provides an accurate global estimate. While the linear model for axial force is only locally accurate within a conical region with a 30° vertex angle, a second-order polynomial model can provide a useful global estimate for axial force. Combining the linear model for transverse forces and nonlinear model for axial force, the 3-DOF force sensing instrument can provide sub-millinewton resolution for axial force and a quarter millinewton for transverse forces. Validation with random samples show the force sensor can provide consistent and accurate measurement of 3-D forces.

  17. Study of the W^+W^-@c process and limits on anomalous quartic gauge boson couplings at LEP L3 Collaboration, P. Achard, O. Adriani, M. Aguilar-Benitez, J. Alcaraz, G. Alemanni, J. Allaby, A. Aloisio, M.G. Alviggi, H. Anderhub, V.P. Andreev, F. Anselmo, A. Arefiev, T. Azemoon, T. Aziz,

    NASA Astrophysics Data System (ADS)

    Vorobyov, A. A.; Wadhwa, M.; Wallraff, W.; Wang, X. L.; Wang, Z. M.; Weber, M.; Wienemann, P.; Wilkens, H.; Wynhoff, S.; Xia, L.; Xu, Z. Z.; Yamamoto, J.; Yang, B. Z.; Yang, C. G.; Yang, H. J.; Yang, M.; Yeh, S. C.; Zalite, A.; Zalite, Y.; Zhang, Z. P.; Zhao, J.; Zhu, G. Y.; Zhu, R. Y.; Zhuang, H. L.; Zichichi, A.; Zilizi, G.; Zimmermann, B.; Zoller, M. Z.

    2002-02-01

    The process e+e- -> W+ W- gamma is studied using the data collected by the L3 detector at LEP. New results, corresponding to an integrated luminosity of 427.4 pb-1 at centre-of-mass energies from 192 GeV to 207 GeV, are presented. The W+W- gamma cross sections are measured to be in agreement with Standard Model expectations. No hints of anomalous quartic gauge boson couplings are observed. Limits at 95% confidence level are derived using also the process e+e- --> nu nubar gamma gamma.

  18. Thermal recoil force, telemetry, and the Pioneer anomaly

    SciTech Connect

    Toth, Viktor T.; Turyshev, Slava G.

    2009-02-15

    Precision navigation of spacecraft requires accurate knowledge of small forces, including the recoil force due to anisotropies of thermal radiation emitted by spacecraft systems. We develop a formalism to derive the thermal recoil force from the basic principles of radiative heat exchange and energy-momentum conservation. The thermal power emitted by the spacecraft can be computed from engineering data obtained from flight telemetry, which yields a practical approach to incorporate the thermal recoil force into precision spacecraft navigation. Alternatively, orbit determination can be used to estimate the contribution of the thermal recoil force. We apply this approach to the Pioneer anomaly using a simulated Pioneer 10 Doppler data set.

  19. Prediction of Spacecraft Vibration using Acceleration and Force Envelopes

    NASA Technical Reports Server (NTRS)

    Gordon, Scott; Kaufman, Daniel; Kern, Dennis; Scharton, Terry

    2009-01-01

    The base forces in the GLAST X- and Z-axis sine vibration tests were similar to those derived using generic inputs (from users guide and handbook), but the base forces in the sine test were generally greater than the flight data. Basedrive analyses using envelopes of flight acceleration data provided more accurate predictions of the base force than generic inputs, and as expected, using envelopes of both the flight acceleration and force provided even more accurate predictions The GLAST spacecraft interface accelerations and forces measured during the MECO transient were relatively low in the 60 to 150 Hz regime. One may expect the flight forces measured at the base of various spacecraft to be more dependent on the mass, frequencies, etc. of the spacecraft than are the corresponding interface acceleration data, which may depend more on the launch vehicle configuration.

  20. Effective force control by muscle synergies.

    PubMed

    Berger, Denise J; d'Avella, Andrea

    2014-01-01

    Muscle synergies have been proposed as a way for the central nervous system (CNS) to simplify the generation of motor commands and they have been shown to explain a large fraction of the variation in the muscle patterns across a variety of conditions. However, whether human subjects are able to control forces and movements effectively with a small set of synergies has not been tested directly. Here we show that muscle synergies can be used to generate target forces in multiple directions with the same accuracy achieved using individual muscles. We recorded electromyographic (EMG) activity from 13 arm muscles and isometric hand forces during a force reaching task in a virtual environment. From these data we estimated the force associated to each muscle by linear regression and we identified muscle synergies by non-negative matrix factorization. We compared trajectories of a virtual mass displaced by the force estimated using the entire set of recorded EMGs to trajectories obtained using 4-5 muscle synergies. While trajectories were similar, when feedback was provided according to force estimated from recorded EMGs (EMG-control) on average trajectories generated with the synergies were less accurate. However, when feedback was provided according to recorded force (force-control) we did not find significant differences in initial angle error and endpoint error. We then tested whether synergies could be used as effectively as individual muscles to control cursor movement in the force reaching task by providing feedback according to force estimated from the projection of the recorded EMGs into synergy space (synergy-control). Human subjects were able to perform the task immediately after switching from force-control to EMG-control and synergy-control and we found no differences between initial movement direction errors and endpoint errors in all control modes. These results indicate that muscle synergies provide an effective strategy for motor coordination.

  1. Accurate thermoplasmonic simulation of metallic nanoparticles

    NASA Astrophysics Data System (ADS)

    Yu, Da-Miao; Liu, Yan-Nan; Tian, Fa-Lin; Pan, Xiao-Min; Sheng, Xin-Qing

    2017-01-01

    Thermoplasmonics leads to enhanced heat generation due to the localized surface plasmon resonances. The measurement of heat generation is fundamentally a complicated task, which necessitates the development of theoretical simulation techniques. In this paper, an efficient and accurate numerical scheme is proposed for applications with complex metallic nanostructures. Light absorption and temperature increase are, respectively, obtained by solving the volume integral equation (VIE) and the steady-state heat diffusion equation through the method of moments (MoM). Previously, methods based on surface integral equations (SIEs) were utilized to obtain light absorption. However, computing light absorption from the equivalent current is as expensive as O(NsNv), where Ns and Nv, respectively, denote the number of surface and volumetric unknowns. Our approach reduces the cost to O(Nv) by using VIE. The accuracy, efficiency and capability of the proposed scheme are validated by multiple simulations. The simulations show that our proposed method is more efficient than the approach based on SIEs under comparable accuracy, especially for the case where many incidents are of interest. The simulations also indicate that the temperature profile can be tuned by several factors, such as the geometry configuration of array, beam direction, and light wavelength.

  2. Accurate lineshape spectroscopy and the Boltzmann constant

    PubMed Central

    Truong, G.-W.; Anstie, J. D.; May, E. F.; Stace, T. M.; Luiten, A. N.

    2015-01-01

    Spectroscopy has an illustrious history delivering serendipitous discoveries and providing a stringent testbed for new physical predictions, including applications from trace materials detection, to understanding the atmospheres of stars and planets, and even constraining cosmological models. Reaching fundamental-noise limits permits optimal extraction of spectroscopic information from an absorption measurement. Here, we demonstrate a quantum-limited spectrometer that delivers high-precision measurements of the absorption lineshape. These measurements yield a very accurate measurement of the excited-state (6P1/2) hyperfine splitting in Cs, and reveals a breakdown in the well-known Voigt spectral profile. We develop a theoretical model that accounts for this breakdown, explaining the observations to within the shot-noise limit. Our model enables us to infer the thermal velocity dispersion of the Cs vapour with an uncertainty of 35 p.p.m. within an hour. This allows us to determine a value for Boltzmann's constant with a precision of 6 p.p.m., and an uncertainty of 71 p.p.m. PMID:26465085

  3. Fast and accurate exhaled breath ammonia measurement.

    PubMed

    Solga, Steven F; Mudalel, Matthew L; Spacek, Lisa A; Risby, Terence H

    2014-06-11

    This exhaled breath ammonia method uses a fast and highly sensitive spectroscopic method known as quartz enhanced photoacoustic spectroscopy (QEPAS) that uses a quantum cascade based laser. The monitor is coupled to a sampler that measures mouth pressure and carbon dioxide. The system is temperature controlled and specifically designed to address the reactivity of this compound. The sampler provides immediate feedback to the subject and the technician on the quality of the breath effort. Together with the quick response time of the monitor, this system is capable of accurately measuring exhaled breath ammonia representative of deep lung systemic levels. Because the system is easy to use and produces real time results, it has enabled experiments to identify factors that influence measurements. For example, mouth rinse and oral pH reproducibly and significantly affect results and therefore must be controlled. Temperature and mode of breathing are other examples. As our understanding of these factors evolves, error is reduced, and clinical studies become more meaningful. This system is very reliable and individual measurements are inexpensive. The sampler is relatively inexpensive and quite portable, but the monitor is neither. This limits options for some clinical studies and provides rational for future innovations.

  4. Accurate, reliable prototype earth horizon sensor head

    NASA Technical Reports Server (NTRS)

    Schwarz, F.; Cohen, H.

    1973-01-01

    The design and performance is described of an accurate and reliable prototype earth sensor head (ARPESH). The ARPESH employs a detection logic 'locator' concept and horizon sensor mechanization which should lead to high accuracy horizon sensing that is minimally degraded by spatial or temporal variations in sensing attitude from a satellite in orbit around the earth at altitudes in the 500 km environ 1,2. An accuracy of horizon location to within 0.7 km has been predicted, independent of meteorological conditions. This corresponds to an error of 0.015 deg-at 500 km altitude. Laboratory evaluation of the sensor indicates that this accuracy is achieved. First, the basic operating principles of ARPESH are described; next, detailed design and construction data is presented and then performance of the sensor under laboratory conditions in which the sensor is installed in a simulator that permits it to scan over a blackbody source against background representing the earth space interface for various equivalent plant temperatures.

  5. Accurate Fission Data for Nuclear Safety

    NASA Astrophysics Data System (ADS)

    Solders, A.; Gorelov, D.; Jokinen, A.; Kolhinen, V. S.; Lantz, M.; Mattera, A.; Penttilä, H.; Pomp, S.; Rakopoulos, V.; Rinta-Antila, S.

    2014-05-01

    The Accurate fission data for nuclear safety (AlFONS) project aims at high precision measurements of fission yields, using the renewed IGISOL mass separator facility in combination with a new high current light ion cyclotron at the University of Jyväskylä. The 30 MeV proton beam will be used to create fast and thermal neutron spectra for the study of neutron induced fission yields. Thanks to a series of mass separating elements, culminating with the JYFLTRAP Penning trap, it is possible to achieve a mass resolving power in the order of a few hundred thousands. In this paper we present the experimental setup and the design of a neutron converter target for IGISOL. The goal is to have a flexible design. For studies of exotic nuclei far from stability a high neutron flux (1012 neutrons/s) at energies 1 - 30 MeV is desired while for reactor applications neutron spectra that resembles those of thermal and fast nuclear reactors are preferred. It is also desirable to be able to produce (semi-)monoenergetic neutrons for benchmarking and to study the energy dependence of fission yields. The scientific program is extensive and is planed to start in 2013 with a measurement of isomeric yield ratios of proton induced fission in uranium. This will be followed by studies of independent yields of thermal and fast neutron induced fission of various actinides.

  6. Noninvasive hemoglobin monitoring: how accurate is enough?

    PubMed

    Rice, Mark J; Gravenstein, Nikolaus; Morey, Timothy E

    2013-10-01

    Evaluating the accuracy of medical devices has traditionally been a blend of statistical analyses, at times without contextualizing the clinical application. There have been a number of recent publications on the accuracy of a continuous noninvasive hemoglobin measurement device, the Masimo Radical-7 Pulse Co-oximeter, focusing on the traditional statistical metrics of bias and precision. In this review, which contains material presented at the Innovations and Applications of Monitoring Perfusion, Oxygenation, and Ventilation (IAMPOV) Symposium at Yale University in 2012, we critically investigated these metrics as applied to the new technology, exploring what is required of a noninvasive hemoglobin monitor and whether the conventional statistics adequately answer our questions about clinical accuracy. We discuss the glucose error grid, well known in the glucose monitoring literature, and describe an analogous version for hemoglobin monitoring. This hemoglobin error grid can be used to evaluate the required clinical accuracy (±g/dL) of a hemoglobin measurement device to provide more conclusive evidence on whether to transfuse an individual patient. The important decision to transfuse a patient usually requires both an accurate hemoglobin measurement and a physiologic reason to elect transfusion. It is our opinion that the published accuracy data of the Masimo Radical-7 is not good enough to make the transfusion decision.

  7. Accurate, reproducible measurement of blood pressure.

    PubMed Central

    Campbell, N R; Chockalingam, A; Fodor, J G; McKay, D W

    1990-01-01

    The diagnosis of mild hypertension and the treatment of hypertension require accurate measurement of blood pressure. Blood pressure readings are altered by various factors that influence the patient, the techniques used and the accuracy of the sphygmomanometer. The variability of readings can be reduced if informed patients prepare in advance by emptying their bladder and bowel, by avoiding over-the-counter vasoactive drugs the day of measurement and by avoiding exposure to cold, caffeine consumption, smoking and physical exertion within half an hour before measurement. The use of standardized techniques to measure blood pressure will help to avoid large systematic errors. Poor technique can account for differences in readings of more than 15 mm Hg and ultimately misdiagnosis. Most of the recommended procedures are simple and, when routinely incorporated into clinical practice, require little additional time. The equipment must be appropriate and in good condition. Physicians should have a suitable selection of cuff sizes readily available; the use of the correct cuff size is essential to minimize systematic errors in blood pressure measurement. Semiannual calibration of aneroid sphygmomanometers and annual inspection of mercury sphygmomanometers and blood pressure cuffs are recommended. We review the methods recommended for measuring blood pressure and discuss the factors known to produce large differences in blood pressure readings. PMID:2192791

  8. Accurate upper body rehabilitation system using kinect.

    PubMed

    Sinha, Sanjana; Bhowmick, Brojeshwar; Chakravarty, Kingshuk; Sinha, Aniruddha; Das, Abhijit

    2016-08-01

    The growing importance of Kinect as a tool for clinical assessment and rehabilitation is due to its portability, low cost and markerless system for human motion capture. However, the accuracy of Kinect in measuring three-dimensional body joint center locations often fails to meet clinical standards of accuracy when compared to marker-based motion capture systems such as Vicon. The length of the body segment connecting any two joints, measured as the distance between three-dimensional Kinect skeleton joint coordinates, has been observed to vary with time. The orientation of the line connecting adjoining Kinect skeletal coordinates has also been seen to differ from the actual orientation of the physical body segment. Hence we have proposed an optimization method that utilizes Kinect Depth and RGB information to search for the joint center location that satisfies constraints on body segment length and as well as orientation. An experimental study have been carried out on ten healthy participants performing upper body range of motion exercises. The results report 72% reduction in body segment length variance and 2° improvement in Range of Motion (ROM) angle hence enabling to more accurate measurements for upper limb exercises.

  9. Fast and Accurate Exhaled Breath Ammonia Measurement

    PubMed Central

    Solga, Steven F.; Mudalel, Matthew L.; Spacek, Lisa A.; Risby, Terence H.

    2014-01-01

    This exhaled breath ammonia method uses a fast and highly sensitive spectroscopic method known as quartz enhanced photoacoustic spectroscopy (QEPAS) that uses a quantum cascade based laser. The monitor is coupled to a sampler that measures mouth pressure and carbon dioxide. The system is temperature controlled and specifically designed to address the reactivity of this compound. The sampler provides immediate feedback to the subject and the technician on the quality of the breath effort. Together with the quick response time of the monitor, this system is capable of accurately measuring exhaled breath ammonia representative of deep lung systemic levels. Because the system is easy to use and produces real time results, it has enabled experiments to identify factors that influence measurements. For example, mouth rinse and oral pH reproducibly and significantly affect results and therefore must be controlled. Temperature and mode of breathing are other examples. As our understanding of these factors evolves, error is reduced, and clinical studies become more meaningful. This system is very reliable and individual measurements are inexpensive. The sampler is relatively inexpensive and quite portable, but the monitor is neither. This limits options for some clinical studies and provides rational for future innovations. PMID:24962141

  10. Accurate Theoretical Thermochemistry for Fluoroethyl Radicals.

    PubMed

    Ganyecz, Ádám; Kállay, Mihály; Csontos, József

    2017-02-09

    An accurate coupled-cluster (CC) based model chemistry was applied to calculate reliable thermochemical quantities for hydrofluorocarbon derivatives including radicals 1-fluoroethyl (CH3-CHF), 1,1-difluoroethyl (CH3-CF2), 2-fluoroethyl (CH2F-CH2), 1,2-difluoroethyl (CH2F-CHF), 2,2-difluoroethyl (CHF2-CH2), 2,2,2-trifluoroethyl (CF3-CH2), 1,2,2,2-tetrafluoroethyl (CF3-CHF), and pentafluoroethyl (CF3-CF2). The model chemistry used contains iterative triple and perturbative quadruple excitations in CC theory, as well as scalar relativistic and diagonal Born-Oppenheimer corrections. To obtain heat of formation values with better than chemical accuracy perturbative quadruple excitations and scalar relativistic corrections were inevitable. Their contributions to the heats of formation steadily increase with the number of fluorine atoms in the radical reaching 10 kJ/mol for CF3-CF2. When discrepancies were found between the experimental and our values it was always possible to resolve the issue by recalculating the experimental result with currently recommended auxiliary data. For each radical studied here this study delivers the best heat of formation as well as entropy data.

  11. Accurate methods for large molecular systems.

    PubMed

    Gordon, Mark S; Mullin, Jonathan M; Pruitt, Spencer R; Roskop, Luke B; Slipchenko, Lyudmila V; Boatz, Jerry A

    2009-07-23

    Three exciting new methods that address the accurate prediction of processes and properties of large molecular systems are discussed. The systematic fragmentation method (SFM) and the fragment molecular orbital (FMO) method both decompose a large molecular system (e.g., protein, liquid, zeolite) into small subunits (fragments) in very different ways that are designed to both retain the high accuracy of the chosen quantum mechanical level of theory while greatly reducing the demands on computational time and resources. Each of these methods is inherently scalable and is therefore eminently capable of taking advantage of massively parallel computer hardware while retaining the accuracy of the corresponding electronic structure method from which it is derived. The effective fragment potential (EFP) method is a sophisticated approach for the prediction of nonbonded and intermolecular interactions. Therefore, the EFP method provides a way to further reduce the computational effort while retaining accuracy by treating the far-field interactions in place of the full electronic structure method. The performance of the methods is demonstrated using applications to several systems, including benzene dimer, small organic species, pieces of the alpha helix, water, and ionic liquids.

  12. MEMS accelerometers in accurate mount positioning systems

    NASA Astrophysics Data System (ADS)

    Mészáros, László; Pál, András.; Jaskó, Attila

    2014-07-01

    In order to attain precise, accurate and stateless positioning of telescope mounts we apply microelectromechanical accelerometer systems (also known as MEMS accelerometers). In common practice, feedback from the mount position is provided by electronic, optical or magneto-mechanical systems or via real-time astrometric solution based on the acquired images. Hence, MEMS-based systems are completely independent from these mechanisms. Our goal is to investigate the advantages and challenges of applying such devices and to reach the sub-arcminute range { that is well smaller than the field-of-view of conventional imaging telescope systems. We present how this sub-arcminute accuracy can be achieved with very cheap MEMS sensors. Basically, these sensors yield raw output within an accuracy of a few degrees. We show what kind of calibration procedures could exploit spherical and cylindrical constraints between accelerometer output channels in order to achieve the previously mentioned accuracy level. We also demonstrate how can our implementation be inserted in a telescope control system. Although this attainable precision is less than both the resolution of telescope mount drive mechanics and the accuracy of astrometric solutions, the independent nature of attitude determination could significantly increase the reliability of autonomous or remotely operated astronomical observations.

  13. Does a pneumotach accurately characterize voice function?

    NASA Astrophysics Data System (ADS)

    Walters, Gage; Krane, Michael

    2016-11-01

    A study is presented which addresses how a pneumotach might adversely affect clinical measurements of voice function. A pneumotach is a device, typically a mask, worn over the mouth, in order to measure time-varying glottal volume flow. By measuring the time-varying difference in pressure across a known aerodynamic resistance element in the mask, the glottal volume flow waveform is estimated. Because it adds aerodynamic resistance to the vocal system, there is some concern that using a pneumotach may not accurately portray the behavior of the voice. To test this hypothesis, experiments were performed in a simplified airway model with the principal dimensions of an adult human upper airway. A compliant constriction, fabricated from silicone rubber, modeled the vocal folds. Variations of transglottal pressure, time-averaged volume flow, model vocal fold vibration amplitude, and radiated sound with subglottal pressure were performed, with and without the pneumotach in place, and differences noted. Acknowledge support of NIH Grant 2R01DC005642-10A1.

  14. Accurate lineshape spectroscopy and the Boltzmann constant.

    PubMed

    Truong, G-W; Anstie, J D; May, E F; Stace, T M; Luiten, A N

    2015-10-14

    Spectroscopy has an illustrious history delivering serendipitous discoveries and providing a stringent testbed for new physical predictions, including applications from trace materials detection, to understanding the atmospheres of stars and planets, and even constraining cosmological models. Reaching fundamental-noise limits permits optimal extraction of spectroscopic information from an absorption measurement. Here, we demonstrate a quantum-limited spectrometer that delivers high-precision measurements of the absorption lineshape. These measurements yield a very accurate measurement of the excited-state (6P1/2) hyperfine splitting in Cs, and reveals a breakdown in the well-known Voigt spectral profile. We develop a theoretical model that accounts for this breakdown, explaining the observations to within the shot-noise limit. Our model enables us to infer the thermal velocity dispersion of the Cs vapour with an uncertainty of 35 p.p.m. within an hour. This allows us to determine a value for Boltzmann's constant with a precision of 6 p.p.m., and an uncertainty of 71 p.p.m.

  15. Accurate method for computing correlated color temperature.

    PubMed

    Li, Changjun; Cui, Guihua; Melgosa, Manuel; Ruan, Xiukai; Zhang, Yaoju; Ma, Long; Xiao, Kaida; Luo, M Ronnier

    2016-06-27

    For the correlated color temperature (CCT) of a light source to be estimated, a nonlinear optimization problem must be solved. In all previous methods available to compute CCT, the objective function has only been approximated, and their predictions have achieved limited accuracy. For example, different unacceptable CCT values have been predicted for light sources located on the same isotemperature line. In this paper, we propose to compute CCT using the Newton method, which requires the first and second derivatives of the objective function. Following the current recommendation by the International Commission on Illumination (CIE) for the computation of tristimulus values (summations at 1 nm steps from 360 nm to 830 nm), the objective function and its first and second derivatives are explicitly given and used in our computations. Comprehensive tests demonstrate that the proposed method, together with an initial estimation of CCT using Robertson's method [J. Opt. Soc. Am. 58, 1528-1535 (1968)], gives highly accurate predictions below 0.0012 K for light sources with CCTs ranging from 500 K to 106 K.

  16. Accurate electromagnetic modeling of terahertz detectors

    NASA Technical Reports Server (NTRS)

    Focardi, Paolo; McGrath, William R.

    2004-01-01

    Twin slot antennas coupled to superconducting devices have been developed over the years as single pixel detectors in the terahertz (THz) frequency range for space-based and astronomy applications. Used either for mixing or direct detection, they have been object of several investigations, and are currently being developed for several missions funded or co-funded by NASA. Although they have shown promising performance in terms of noise and sensitivity, so far they have usually also shown a considerable disagreement in terms of performance between calculations and measurements, especially when considering center frequency and bandwidth. In this paper we present a thorough and accurate electromagnetic model of complete detector and we compare the results of calculations with measurements. Starting from a model of the embedding circuit, the effect of all the other elements in the detector in the coupled power have been analyzed. An extensive variety of measured and calculated data, as presented in this paper, demonstrates the effectiveness and reliability of the electromagnetic model at frequencies between 600 GHz and 2.5THz.

  17. Progress in fast, accurate multi-scale climate simulations

    SciTech Connect

    Collins, W. D.; Johansen, H.; Evans, K. J.; Woodward, C. S.; Caldwell, P. M.

    2015-06-01

    We present a survey of physical and computational techniques that have the potential to contribute to the next generation of high-fidelity, multi-scale climate simulations. Examples of the climate science problems that can be investigated with more depth with these computational improvements include the capture of remote forcings of localized hydrological extreme events, an accurate representation of cloud features over a range of spatial and temporal scales, and parallel, large ensembles of simulations to more effectively explore model sensitivities and uncertainties. Numerical techniques, such as adaptive mesh refinement, implicit time integration, and separate treatment of fast physical time scales are enabling improved accuracy and fidelity in simulation of dynamics and allowing more complete representations of climate features at the global scale. At the same time, partnerships with computer science teams have focused on taking advantage of evolving computer architectures such as many-core processors and GPUs. As a result, approaches which were previously considered prohibitively costly have become both more efficient and scalable. In combination, progress in these three critical areas is poised to transform climate modeling in the coming decades.

  18. Progress in Fast, Accurate Multi-scale Climate Simulations

    SciTech Connect

    Collins, William D; Johansen, Hans; Evans, Katherine J; Woodward, Carol S.; Caldwell, Peter

    2015-01-01

    We present a survey of physical and computational techniques that have the potential to con- tribute to the next generation of high-fidelity, multi-scale climate simulations. Examples of the climate science problems that can be investigated with more depth include the capture of remote forcings of localized hydrological extreme events, an accurate representation of cloud features over a range of spatial and temporal scales, and parallel, large ensembles of simulations to more effectively explore model sensitivities and uncertainties. Numerical techniques, such as adaptive mesh refinement, implicit time integration, and separate treatment of fast physical time scales are enabling improved accuracy and fidelity in simulation of dynamics and allow more complete representations of climate features at the global scale. At the same time, part- nerships with computer science teams have focused on taking advantage of evolving computer architectures, such as many-core processors and GPUs, so that these approaches which were previously considered prohibitively costly have become both more efficient and scalable. In combination, progress in these three critical areas is poised to transform climate modeling in the coming decades.

  19. Progress in fast, accurate multi-scale climate simulations

    DOE PAGES

    Collins, W. D.; Johansen, H.; Evans, K. J.; ...

    2015-06-01

    We present a survey of physical and computational techniques that have the potential to contribute to the next generation of high-fidelity, multi-scale climate simulations. Examples of the climate science problems that can be investigated with more depth with these computational improvements include the capture of remote forcings of localized hydrological extreme events, an accurate representation of cloud features over a range of spatial and temporal scales, and parallel, large ensembles of simulations to more effectively explore model sensitivities and uncertainties. Numerical techniques, such as adaptive mesh refinement, implicit time integration, and separate treatment of fast physical time scales are enablingmore » improved accuracy and fidelity in simulation of dynamics and allowing more complete representations of climate features at the global scale. At the same time, partnerships with computer science teams have focused on taking advantage of evolving computer architectures such as many-core processors and GPUs. As a result, approaches which were previously considered prohibitively costly have become both more efficient and scalable. In combination, progress in these three critical areas is poised to transform climate modeling in the coming decades.« less

  20. Data fusion for accurate microscopic rough surface metrology.

    PubMed

    Chen, Yuhang

    2016-06-01

    Data fusion for rough surface measurement and evaluation was analyzed on simulated datasets, one with higher density (HD) but lower accuracy and the other with lower density (LD) but higher accuracy. Experimental verifications were then performed on laser scanning microscopy (LSM) and atomic force microscopy (AFM) characterizations of surface areal roughness artifacts. The results demonstrated that the fusion based on Gaussian process models is effective and robust under different measurement biases and noise strengths. All the amplitude, height distribution, and spatial characteristics of the original sample structure can be precisely recovered, with better metrological performance than any individual measurements. As for the influencing factors, the HD noise has a relatively weaker effect as compared with the LD noise. Furthermore, to enable an accurate fusion, the ratio of LD sampling interval to surface autocorrelation length should be smaller than a critical threshold. In general, data fusion is capable of enhancing the nanometrology of rough surfaces by combining efficient LSM measurement and down-sampled fast AFM scan. The accuracy, resolution, spatial coverage and efficiency can all be significantly improved. It is thus expected to have potential applications in development of hybrid microscopy and in surface metrology.

  1. Can numerical simulations accurately predict hydrodynamic instabilities in liquid films?

    NASA Astrophysics Data System (ADS)

    Denner, Fabian; Charogiannis, Alexandros; Pradas, Marc; van Wachem, Berend G. M.; Markides, Christos N.; Kalliadasis, Serafim

    2014-11-01

    Understanding the dynamics of hydrodynamic instabilities in liquid film flows is an active field of research in fluid dynamics and non-linear science in general. Numerical simulations offer a powerful tool to study hydrodynamic instabilities in film flows and can provide deep insights into the underlying physical phenomena. However, the direct comparison of numerical results and experimental results is often hampered by several reasons. For instance, in numerical simulations the interface representation is problematic and the governing equations and boundary conditions may be oversimplified, whereas in experiments it is often difficult to extract accurate information on the fluid and its behavior, e.g. determine the fluid properties when the liquid contains particles for PIV measurements. In this contribution we present the latest results of our on-going, extensive study on hydrodynamic instabilities in liquid film flows, which includes direct numerical simulations, low-dimensional modelling as well as experiments. The major focus is on wave regimes, wave height and wave celerity as a function of Reynolds number and forcing frequency of a falling liquid film. Specific attention is paid to the differences in numerical and experimental results and the reasons for these differences. The authors are grateful to the EPSRC for their financial support (Grant EP/K008595/1).

  2. An accurate moving boundary formulation in cut-cell methods

    NASA Astrophysics Data System (ADS)

    Schneiders, Lennart; Hartmann, Daniel; Meinke, Matthias; Schröder, Wolfgang

    2013-02-01

    A cut-cell method for Cartesian meshes to simulate viscous compressible flows with moving boundaries is presented. We focus on eliminating unphysical oscillations occurring in Cartesian grid methods extended to moving-boundary problems. In these methods, cells either lie completely in the fluid or solid region or are intersected by the boundary. For the latter cells, the time dependent volume fraction lying in the fluid region can be so small that explicit time-integration schemes become unstable and a special treatment of these cells is necessary. When the boundary moves, a fluid cell may become a cut cell or a solid cell may become a small cell at the next time level. This causes an abrupt change in the discretization operator and a suddenly modified truncation error of the numerical scheme. This temporally discontinuous alteration is shown to act like an unphysical source term, which deteriorates the numerical solution, i.e., it generates unphysical oscillations in the hydrodynamic forces exerted on the moving boundary. We develop an accurate moving boundary formulation based on the varying discretization operators yielding a cut-cell method which avoids these discontinuities. Results for canonical two- and three-dimensional test cases evidence the accuracy and robustness of the newly developed scheme.

  3. Turbulence Models for Accurate Aerothermal Prediction in Hypersonic Flows

    NASA Astrophysics Data System (ADS)

    Zhang, Xiang-Hong; Wu, Yi-Zao; Wang, Jiang-Feng

    Accurate description of the aerodynamic and aerothermal environment is crucial to the integrated design and optimization for high performance hypersonic vehicles. In the simulation of aerothermal environment, the effect of viscosity is crucial. The turbulence modeling remains a major source of uncertainty in the computational prediction of aerodynamic forces and heating. In this paper, three turbulent models were studied: the one-equation eddy viscosity transport model of Spalart-Allmaras, the Wilcox k-ω model and the Menter SST model. For the k-ω model and SST model, the compressibility correction, press dilatation and low Reynolds number correction were considered. The influence of these corrections for flow properties were discussed by comparing with the results without corrections. In this paper the emphasis is on the assessment and evaluation of the turbulence models in prediction of heat transfer as applied to a range of hypersonic flows with comparison to experimental data. This will enable establishing factor of safety for the design of thermal protection systems of hypersonic vehicle.

  4. Accurate measurement of streamwise vortices in low speed aerodynamic flows

    NASA Astrophysics Data System (ADS)

    Waldman, Rye M.; Kudo, Jun; Breuer, Kenneth S.

    2010-11-01

    Low Reynolds number experiments with flapping animals (such as bats and small birds) are of current interest in understanding biological flight mechanics, and due to their application to Micro Air Vehicles (MAVs) which operate in a similar parameter space. Previous PIV wake measurements have described the structures left by bats and birds, and provided insight to the time history of their aerodynamic force generation; however, these studies have faced difficulty drawing quantitative conclusions due to significant experimental challenges associated with the highly three-dimensional and unsteady nature of the flows, and the low wake velocities associated with lifting bodies that only weigh a few grams. This requires the high-speed resolution of small flow features in a large field of view using limited laser energy and finite camera resolution. Cross-stream measurements are further complicated by the high out-of-plane flow which requires thick laser sheets and short interframe times. To quantify and address these challenges we present data from a model study on the wake behind a fixed wing at conditions comparable to those found in biological flight. We present a detailed analysis of the PIV wake measurements, discuss the criteria necessary for accurate measurements, and present a new dual-plane PIV configuration to resolve these issues.

  5. Toward accurate and fast iris segmentation for iris biometrics.

    PubMed

    He, Zhaofeng; Tan, Tieniu; Sun, Zhenan; Qiu, Xianchao

    2009-09-01

    Iris segmentation is an essential module in iris recognition because it defines the effective image region used for subsequent processing such as feature extraction. Traditional iris segmentation methods often involve an exhaustive search of a large parameter space, which is time consuming and sensitive to noise. To address these problems, this paper presents a novel algorithm for accurate and fast iris segmentation. After efficient reflection removal, an Adaboost-cascade iris detector is first built to extract a rough position of the iris center. Edge points of iris boundaries are then detected, and an elastic model named pulling and pushing is established. Under this model, the center and radius of the circular iris boundaries are iteratively refined in a way driven by the restoring forces of Hooke's law. Furthermore, a smoothing spline-based edge fitting scheme is presented to deal with noncircular iris boundaries. After that, eyelids are localized via edge detection followed by curve fitting. The novelty here is the adoption of a rank filter for noise elimination and a histogram filter for tackling the shape irregularity of eyelids. Finally, eyelashes and shadows are detected via a learned prediction model. This model provides an adaptive threshold for eyelash and shadow detection by analyzing the intensity distributions of different iris regions. Experimental results on three challenging iris image databases demonstrate that the proposed algorithm outperforms state-of-the-art methods in both accuracy and speed.

  6. Accurate calculations of bound rovibrational states for argon trimer

    NASA Astrophysics Data System (ADS)

    Brandon, Drew; Poirier, Bill

    2014-07-01

    This work presents a comprehensive quantum dynamics calculation of the bound rovibrational eigenstates of argon trimer (Ar3), using the ScalIT suite of parallel codes. The Ar3 rovibrational energy levels are computed to a very high level of accuracy (10-3 cm-1 or better), and up to the highest rotational and vibrational excitations for which bound states exist. For many of these rovibrational states, wavefunctions are also computed. Rare gas clusters such as Ar3 are interesting because the interatomic interactions manifest through long-range van der Waals forces, rather than through covalent chemical bonding. As a consequence, they exhibit strong Coriolis coupling between the rotational and vibrational degrees of freedom, as well as highly delocalized states, all of which renders accurate quantum dynamical calculation difficult. Moreover, with its (comparatively) deep potential well and heavy masses, Ar3 is an especially challenging rare gas trimer case. There are a great many rovibrational eigenstates to compute, and a very high density of states. Consequently, very few previous rovibrational state calculations for Ar3 may be found in the current literature—and only for the lowest-lying rotational excitations.

  7. Accurate calculations of bound rovibrational states for argon trimer

    SciTech Connect

    Brandon, Drew; Poirier, Bill

    2014-07-21

    This work presents a comprehensive quantum dynamics calculation of the bound rovibrational eigenstates of argon trimer (Ar{sub 3}), using the ScalIT suite of parallel codes. The Ar{sub 3} rovibrational energy levels are computed to a very high level of accuracy (10{sup −3} cm{sup −1} or better), and up to the highest rotational and vibrational excitations for which bound states exist. For many of these rovibrational states, wavefunctions are also computed. Rare gas clusters such as Ar{sub 3} are interesting because the interatomic interactions manifest through long-range van der Waals forces, rather than through covalent chemical bonding. As a consequence, they exhibit strong Coriolis coupling between the rotational and vibrational degrees of freedom, as well as highly delocalized states, all of which renders accurate quantum dynamical calculation difficult. Moreover, with its (comparatively) deep potential well and heavy masses, Ar{sub 3} is an especially challenging rare gas trimer case. There are a great many rovibrational eigenstates to compute, and a very high density of states. Consequently, very few previous rovibrational state calculations for Ar{sub 3} may be found in the current literature—and only for the lowest-lying rotational excitations.

  8. Important Nearby Galaxies without Accurate Distances

    NASA Astrophysics Data System (ADS)

    McQuinn, Kristen

    2014-10-01

    The Spitzer Infrared Nearby Galaxies Survey (SINGS) and its offspring programs (e.g., THINGS, HERACLES, KINGFISH) have resulted in a fundamental change in our view of star formation and the ISM in galaxies, and together they represent the most complete multi-wavelength data set yet assembled for a large sample of nearby galaxies. These great investments of observing time have been dedicated to the goal of understanding the interstellar medium, the star formation process, and, more generally, galactic evolution at the present epoch. Nearby galaxies provide the basis for which we interpret the distant universe, and the SINGS sample represents the best studied nearby galaxies.Accurate distances are fundamental to interpreting observations of galaxies. Surprisingly, many of the SINGS spiral galaxies have numerous distance estimates resulting in confusion. We can rectify this situation for 8 of the SINGS spiral galaxies within 10 Mpc at a very low cost through measurements of the tip of the red giant branch. The proposed observations will provide an accuracy of better than 0.1 in distance modulus. Our sample includes such well known galaxies as M51 (the Whirlpool), M63 (the Sunflower), M104 (the Sombrero), and M74 (the archetypal grand design spiral).We are also proposing coordinated parallel WFC3 UV observations of the central regions of the galaxies, rich with high-mass UV-bright stars. As a secondary science goal we will compare the resolved UV stellar populations with integrated UV emission measurements used in calibrating star formation rates. Our observations will complement the growing HST UV atlas of high resolution images of nearby galaxies.

  9. How flatbed scanners upset accurate film dosimetry

    NASA Astrophysics Data System (ADS)

    van Battum, L. J.; Huizenga, H.; Verdaasdonk, R. M.; Heukelom, S.

    2016-01-01

    Film is an excellent dosimeter for verification of dose distributions due to its high spatial resolution. Irradiated film can be digitized with low-cost, transmission, flatbed scanners. However, a disadvantage is their lateral scan effect (LSE): a scanner readout change over its lateral scan axis. Although anisotropic light scattering was presented as the origin of the LSE, this paper presents an alternative cause. Hereto, LSE for two flatbed scanners (Epson 1680 Expression Pro and Epson 10000XL), and Gafchromic film (EBT, EBT2, EBT3) was investigated, focused on three effects: cross talk, optical path length and polarization. Cross talk was examined using triangular sheets of various optical densities. The optical path length effect was studied using absorptive and reflective neutral density filters with well-defined optical characteristics (OD range 0.2-2.0). Linear polarizer sheets were used to investigate light polarization on the CCD signal in absence and presence of (un)irradiated Gafchromic film. Film dose values ranged between 0.2 to 9 Gy, i.e. an optical density range between 0.25 to 1.1. Measurements were performed in the scanner’s transmission mode, with red-green-blue channels. LSE was found to depend on scanner construction and film type. Its magnitude depends on dose: for 9 Gy increasing up to 14% at maximum lateral position. Cross talk was only significant in high contrast regions, up to 2% for very small fields. The optical path length effect introduced by film on the scanner causes 3% for pixels in the extreme lateral position. Light polarization due to film and the scanner’s optical mirror system is the main contributor, different in magnitude for the red, green and blue channel. We concluded that any Gafchromic EBT type film scanned with a flatbed scanner will face these optical effects. Accurate dosimetry requires correction of LSE, therefore, determination of the LSE per color channel and dose delivered to the film.

  10. Accurate paleointensities - the multi-method approach

    NASA Astrophysics Data System (ADS)

    de Groot, Lennart

    2016-04-01

    The accuracy of models describing rapid changes in the geomagnetic field over the past millennia critically depends on the availability of reliable paleointensity estimates. Over the past decade methods to derive paleointensities from lavas (the only recorder of the geomagnetic field that is available all over the globe and through geologic times) have seen significant improvements and various alternative techniques were proposed. The 'classical' Thellier-style approach was optimized and selection criteria were defined in the 'Standard Paleointensity Definitions' (Paterson et al, 2014). The Multispecimen approach was validated and the importance of additional tests and criteria to assess Multispecimen results must be emphasized. Recently, a non-heating, relative paleointensity technique was proposed -the pseudo-Thellier protocol- which shows great potential in both accuracy and efficiency, but currently lacks a solid theoretical underpinning. Here I present work using all three of the aforementioned paleointensity methods on suites of young lavas taken from the volcanic islands of Hawaii, La Palma, Gran Canaria, Tenerife, and Terceira. Many of the sampled cooling units are <100 years old, the actual field strength at the time of cooling is therefore reasonably well known. Rather intuitively, flows that produce coherent results from two or more different paleointensity methods yield the most accurate estimates of the paleofield. Furthermore, the results for some flows pass the selection criteria for one method, but fail in other techniques. Scrutinizing and combing all acceptable results yielded reliable paleointensity estimates for 60-70% of all sampled cooling units - an exceptionally high success rate. This 'multi-method paleointensity approach' therefore has high potential to provide the much-needed paleointensities to improve geomagnetic field models for the Holocene.

  11. Accurate orbit propagation with planetary close encounters

    NASA Astrophysics Data System (ADS)

    Baù, Giulio; Milani Comparetti, Andrea; Guerra, Francesca

    2015-08-01

    We tackle the problem of accurately propagating the motion of those small bodies that undergo close approaches with a planet. The literature is lacking on this topic and the reliability of the numerical results is not sufficiently discussed. The high-frequency components of the perturbation generated by a close encounter makes the propagation particularly challenging both from the point of view of the dynamical stability of the formulation and the numerical stability of the integrator. In our approach a fixed step-size and order multistep integrator is combined with a regularized formulation of the perturbed two-body problem. When the propagated object enters the region of influence of a celestial body, the latter becomes the new primary body of attraction. Moreover, the formulation and the step-size will also be changed if necessary. We present: 1) the restarter procedure applied to the multistep integrator whenever the primary body is changed; 2) new analytical formulae for setting the step-size (given the order of the multistep, formulation and initial osculating orbit) in order to control the accumulation of the local truncation error and guarantee the numerical stability during the propagation; 3) a new definition of the region of influence in the phase space. We test the propagator with some real asteroids subject to the gravitational attraction of the planets, the Yarkovsky and relativistic perturbations. Our goal is to show that the proposed approach improves the performance of both the propagator implemented in the OrbFit software package (which is currently used by the NEODyS service) and of the propagator represented by a variable step-size and order multistep method combined with Cowell's formulation (i.e. direct integration of position and velocity in either the physical or a fictitious time).

  12. Towards Accurate Application Characterization for Exascale (APEX)

    SciTech Connect

    Hammond, Simon David

    2015-09-01

    Sandia National Laboratories has been engaged in hardware and software codesign activities for a number of years, indeed, it might be argued that prototyping of clusters as far back as the CPLANT machines and many large capability resources including ASCI Red and RedStorm were examples of codesigned solutions. As the research supporting our codesign activities has moved closer to investigating on-node runtime behavior a nature hunger has grown for detailed analysis of both hardware and algorithm performance from the perspective of low-level operations. The Application Characterization for Exascale (APEX) LDRD was a project concieved of addressing some of these concerns. Primarily the research was to intended to focus on generating accurate and reproducible low-level performance metrics using tools that could scale to production-class code bases. Along side this research was an advocacy and analysis role associated with evaluating tools for production use, working with leading industry vendors to develop and refine solutions required by our code teams and to directly engage with production code developers to form a context for the application analysis and a bridge to the research community within Sandia. On each of these accounts significant progress has been made, particularly, as this report will cover, in the low-level analysis of operations for important classes of algorithms. This report summarizes the development of a collection of tools under the APEX research program and leaves to other SAND and L2 milestone reports the description of codesign progress with Sandia’s production users/developers.

  13. ACES: Accurate Cervical Evaluation With Sonography.

    PubMed

    Chory, Margaret K; Schnettler, William T; March, Melissa; Hacker, Michele R; Modest, Anna M; Rodriguez, Diana

    2016-01-01

    Transvaginal sonographic cervical length screening is an important tool for the evaluation of preterm labor. However, a structured curriculum is lacking in obstetrics and gynecology residency programs. The Accurate Cervical Evaluation with Sonography (ACES) program was developed to address this deficiency and combines an online didactic course with a standardized performance assessment of live scans. We sought to evaluate the effectiveness of the ACES program to teach residents sonographic cervical length assessment. All obstetrics and gynecology residents at our institution were invited to participate from 2012 to 2013. The program consisted of an initial supervised transvaginal cervical evaluation, an online didactic course and written examination, and 5 subsequent supervised scans. The instructor performed an independent cervical length measurement at each encounter. The primary outcome was the difference in cervical length measurement between the resident and instructor. We hypothesized that this difference would decrease over time. At each visit, a 10-item checklist was used for skill assessment. Comparisons of checklist scores over time were also performed. Seventeen of 20 residents completed at least some of the training, and 10 completed the entire program. The median difference in cervical length measurement between residents and instructors at posttests 3, 4, and 5 improved significantly compared to the pretest scan (all P ≤ .02). Similarly, the checklist scores improved over time (all P ≤ .0008). Transvaginal cervical sonography is an important tool in the evaluation of preterm labor. The ACES program provides residents a structured curriculum for cervical evaluation and supervisors a standardized means of evaluating trainees' skills. © 2016 by the American Institute of Ultrasound in Medicine.

  14. Accurate Biomass Estimation via Bayesian Adaptive Sampling

    NASA Astrophysics Data System (ADS)

    Wheeler, K.; Knuth, K.; Castle, P.

    2005-12-01

    and IKONOS imagery and the 3-D volume estimates. The combination of these then allow for a rapid and hopefully very accurate estimation of biomass.

  15. Accurate glucose detection in a small etalon

    NASA Astrophysics Data System (ADS)

    Martini, Joerg; Kuebler, Sebastian; Recht, Michael; Torres, Francisco; Roe, Jeffrey; Kiesel, Peter; Bruce, Richard

    2010-02-01

    We are developing a continuous glucose monitor for subcutaneous long-term implantation. This detector contains a double chamber Fabry-Perot-etalon that measures the differential refractive index (RI) between a reference and a measurement chamber at 850 nm. The etalon chambers have wavelength dependent transmission maxima which dependent linearly on the RI of their contents. An RI difference of ▵n=1.5.10-6 changes the spectral position of a transmission maximum by 1pm in our measurement. By sweeping the wavelength of a single-mode Vertical-Cavity-Surface-Emitting-Laser (VCSEL) linearly in time and detecting the maximum transmission peaks of the etalon we are able to measure the RI of a liquid. We have demonstrated accuracy of ▵n=+/-3.5.10-6 over a ▵n-range of 0 to 1.75.10-4 and an accuracy of 2% over a ▵nrange of 1.75.10-4 to 9.8.10-4. The accuracy is primarily limited by the reference measurement. The RI difference between the etalon chambers is made specific to glucose by the competitive, reversible release of Concanavalin A (ConA) from an immobilized dextran matrix. The matrix and ConA bound to it, is positioned outside the optical detection path. ConA is released from the matrix by reacting with glucose and diffuses into the optical path to change the RI in the etalon. Factors such as temperature affect the RI in measurement and detection chamber equally but do not affect the differential measurement. A typical standard deviation in RI is +/-1.4.10-6 over the range 32°C to 42°C. The detector enables an accurate glucose specific concentration measurement.

  16. How flatbed scanners upset accurate film dosimetry.

    PubMed

    van Battum, L J; Huizenga, H; Verdaasdonk, R M; Heukelom, S

    2016-01-21

    Film is an excellent dosimeter for verification of dose distributions due to its high spatial resolution. Irradiated film can be digitized with low-cost, transmission, flatbed scanners. However, a disadvantage is their lateral scan effect (LSE): a scanner readout change over its lateral scan axis. Although anisotropic light scattering was presented as the origin of the LSE, this paper presents an alternative cause. Hereto, LSE for two flatbed scanners (Epson 1680 Expression Pro and Epson 10000XL), and Gafchromic film (EBT, EBT2, EBT3) was investigated, focused on three effects: cross talk, optical path length and polarization. Cross talk was examined using triangular sheets of various optical densities. The optical path length effect was studied using absorptive and reflective neutral density filters with well-defined optical characteristics (OD range 0.2-2.0). Linear polarizer sheets were used to investigate light polarization on the CCD signal in absence and presence of (un)irradiated Gafchromic film. Film dose values ranged between 0.2 to 9 Gy, i.e. an optical density range between 0.25 to 1.1. Measurements were performed in the scanner's transmission mode, with red-green-blue channels. LSE was found to depend on scanner construction and film type. Its magnitude depends on dose: for 9 Gy increasing up to 14% at maximum lateral position. Cross talk was only significant in high contrast regions, up to 2% for very small fields. The optical path length effect introduced by film on the scanner causes 3% for pixels in the extreme lateral position. Light polarization due to film and the scanner's optical mirror system is the main contributor, different in magnitude for the red, green and blue channel. We concluded that any Gafchromic EBT type film scanned with a flatbed scanner will face these optical effects. Accurate dosimetry requires correction of LSE, therefore, determination of the LSE per color channel and dose delivered to the film.

  17. Static optimization of muscle forces during gait in comparison to EMG-to-force processing approach.

    PubMed

    Heintz, Sofia; Gutierrez-Farewik, Elena M

    2007-07-01

    Individual muscle forces evaluated from experimental motion analysis may be useful in mathematical simulation, but require additional musculoskeletal and mathematical modelling. A numerical method of static optimization was used in this study to evaluate muscular forces during gait. The numerical algorithm used was built on the basis of traditional optimization techniques, i.e., constrained minimization technique using the Lagrange multiplier method to solve for constraints. Measuring exact muscle forces during gait analysis is not currently possible. The developed optimization method calculates optimal forces during gait, given a specific performance criterion, using kinematics and kinetics from gait analysis together with muscle architectural data. Experimental methods to validate mathematical methods to calculate forces are limited. Electromyography (EMG) is frequently used as a tool to determine muscle activation in experimental studies on human motion. A method of estimating force from the EMG signal, the EMG-to-force approach, was recently developed by Bogey et al. [Bogey RA, Perry J, Gitter AJ. An EMG-to-force processing approach for determining ankle muscle forcs during normal human gait. IEEE Trans Neural Syst Rehabil Eng 2005;13:302-10] and is based on normalization of activation during a maximum voluntary contraction to documented maximal muscle strength. This method was adapted in this study as a tool with which to compare static optimization during a gait cycle. Muscle forces from static optimization and from EMG-to-force muscle forces show reasonably good correlation in the plantarflexor and dorsiflexor muscles, but less correlation in the knee flexor and extensor muscles. Additional comparison of the mathematical muscle forces from static optimization to documented averaged EMG data reveals good overall correlation to patterns of evaluated muscular activation. This indicates that on an individual level, muscular force patterns from mathematical

  18. Second-order gravitational self-force

    SciTech Connect

    Rosenthal, Eran

    2006-10-15

    We derive an expression for the second-order gravitational self-force that acts on a self-gravitating compact object moving in a curved background spacetime. First we develop a new method of derivation and apply it to the derivation of the first-order gravitational self-force. Here we find that our result conforms with the previously derived expression. Next we generalize our method and derive a new expression for the second-order gravitational self-force. This study also has a practical motivation: The data analysis for the planned gravitational wave detector LISA requires construction of waveform templates for the expected gravitational waves. Calculation of the two leading orders of the gravitational self-force will enable one to construct highly accurate waveform templates, which are needed for the data analysis of gravitational waves that are emitted from extreme mass-ratio binaries.

  19. Force matching errors following eccentric exercise.

    PubMed

    Proske, U; Gregory, J E; Morgan, D L; Percival, P; Weerakkody, N S; Canny, B J

    2004-10-01

    During eccentric exercise contracting muscles are forcibly lengthened, to act as a brake to control motion of the body. A consequence of eccentric exercise is damage to muscle fibres. It has been reported that following the damage there is disturbance to proprioception, in particular, the senses of force and limb position. Force sense was tested in an isometric force-matching task using the elbow flexor muscles of both arms before and after the muscles in one arm had performed 50 eccentric contractions at a strength of 30% of a maximum voluntary contraction (MVC). The exercise led to an immediate reduction of about 40%, in the force generated during an MVC followed by a slow recovery over the next four days, and to the development of delayed onset muscle soreness (DOMS) lasting about the same time. After the exercise, even though participants believed they were making an accurate match, they made large matching errors, in a direction where the exercised arm developed less force than the unexercised arm. This was true whichever arm was used to generate the reference forces, which were in a range of 5-30% of the reference arm's MVC, with visual feedback of the reference arm's force levels provided to the participant. The errors were correlated with the fall in MVC following the exercise, suggesting that participants were not matching force, but the subjective effort needed to generate the force: the same effort producing less force in a muscle weakened by eccentric exercise. The errors were, however, larger than predicted from the measured reduction in MVC, suggesting that factors other than effort might also be contributing. One factor may be DOMS. To test this idea, force matches were done in the presence of pain, induced in unexercised muscles by injection of hypertonic (5%) saline or by the application of noxious heat to the skin over the muscle. Both procedures led to errors in the same direction as those seen after eccentric exercise.

  20. Are patients referred to rehabilitation diagnosed accurately?

    PubMed

    Tederko, Piotr; Krasuski, Marek; Nyka, Izabella; Mycielski, Jerzy; Tarnacka, Beata

    2017-07-17

    An accurate diagnosis of the leading health condition and comorbidities is a prerequisite for safe and effective rehabilitation. The problem of diagnostic errors in physical and rehabilitation medicine (PRM) has not been addressed sufficiently. The responsibility of a referring physician is to determine indications and contraindications for rehabilitation. To assess the rate of and risk factors for inaccurate referral diagnoses (RD) in patients referred to a rehabilitation facility. We hypothesized that inaccurate RD would be more common in patients 1) referred by non-PRM physicians; 2) waiting longer for the admission; 3) older patients. Retrospective observational study. 1000 randomly selected patients admitted between 2012 and 2016 to a day- rehabilitation center (DRC). University DRC specialized in musculoskeletal diseases. On admission all cases underwent clinical verification of RD. Inappropriateness regarding primary diagnoses and comorbidities were noted. Influence of several factors affecting probability of inaccurate RD was analyzed with multiple binary regression model applied to 6 categories of diseases. The rate of inaccurate RD was 25.2%. Higher frequency of inaccurate RD was noted among patients referred by non-PRM specialists (30.3% vs 17.3% in cases referred by PRM specialists). Application of logit regression showed highly significant influence of the specialty of a referring physician on the odds of inaccurate RD (joint Wald test ch2(6)=38.98, p- value=0.000), controlling for the influence of other variables. This may reflect a suboptimal knowledge of the rehabilitation process and a tendency to neglect of comorbidities by non-PRM specialists. The rate of inaccurate RD did not correlate with time between referral and admission (joint Wald test of all odds ratios equal to 1, chi2(6)=5.62, p-value=0.467), however, mean and median waiting times were relatively short (35.7 and 25 days respectively).A high risk of overlooked multimorbidity was

  1. An automated method for accurate vessel segmentation

    NASA Astrophysics Data System (ADS)

    Yang, Xin; Liu, Chaoyue; Le Minh, Hung; Wang, Zhiwei; Chien, Aichi; (Tim Cheng, Kwang-Ting

    2017-05-01

    Vessel segmentation is a critical task for various medical applications, such as diagnosis assistance of diabetic retinopathy, quantification of cerebral aneurysm’s growth, and guiding surgery in neurosurgical procedures. Despite technology advances in image segmentation, existing methods still suffer from low accuracy for vessel segmentation in the two challenging while common scenarios in clinical usage: (1) regions with a low signal-to-noise-ratio (SNR), and (2) at vessel boundaries disturbed by adjacent non-vessel pixels. In this paper, we present an automated system which can achieve highly accurate vessel segmentation for both 2D and 3D images even under these challenging scenarios. Three key contributions achieved by our system are: (1) a progressive contrast enhancement method to adaptively enhance contrast of challenging pixels that were otherwise indistinguishable, (2) a boundary refinement method to effectively improve segmentation accuracy at vessel borders based on Canny edge detection, and (3) a content-aware region-of-interests (ROI) adjustment method to automatically determine the locations and sizes of ROIs which contain ambiguous pixels and demand further verification. Extensive evaluation of our method is conducted on both 2D and 3D datasets. On a public 2D retinal dataset (named DRIVE (Staal 2004 IEEE Trans. Med. Imaging 23 501-9)) and our 2D clinical cerebral dataset, our approach achieves superior performance to the state-of-the-art methods including a vesselness based method (Frangi 1998 Int. Conf. on Medical Image Computing and Computer-Assisted Intervention) and an optimally oriented flux (OOF) based method (Law and Chung 2008 European Conf. on Computer Vision). An evaluation on 11 clinical 3D CTA cerebral datasets shows that our method can achieve 94% average accuracy with respect to the manual segmentation reference, which is 23% to 33% better than the five baseline methods (Yushkevich 2006 Neuroimage 31 1116-28; Law and Chung 2008

  2. In vivo recording of aerodynamic force with an aerodynamic force platform: from drones to birds

    PubMed Central

    Lentink, David; Haselsteiner, Andreas F.; Ingersoll, Rivers

    2015-01-01

    Flapping wings enable flying animals and biomimetic robots to generate elevated aerodynamic forces. Measurements that demonstrate this capability are based on experiments with tethered robots and animals, and indirect force calculations based on measured kinematics or airflow during free flight. Remarkably, there exists no method to measure these forces directly during free flight. Such in vivo recordings in freely behaving animals are essential to better understand the precise aerodynamic function of their flapping wings, in particular during the downstroke versus upstroke. Here, we demonstrate a new aerodynamic force platform (AFP) for non-intrusive aerodynamic force measurement in freely flying animals and robots. The platform encloses the animal or object that generates fluid force with a physical control surface, which mechanically integrates the net aerodynamic force that is transferred to the earth. Using a straightforward analytical solution of the Navier–Stokes equation, we verified that the method is accurate. We subsequently validated the method with a quadcopter that is suspended in the AFP and generates unsteady thrust profiles. These independent measurements confirm that the AFP is indeed accurate. We demonstrate the effectiveness of the AFP by studying aerodynamic weight support of a freely flying bird in vivo. These measurements confirm earlier findings based on kinematics and flow measurements, which suggest that the avian downstroke, not the upstroke, is primarily responsible for body weight support during take-off and landing. PMID:25589565

  3. In vivo recording of aerodynamic force with an aerodynamic force platform: from drones to birds.

    PubMed

    Lentink, David; Haselsteiner, Andreas F; Ingersoll, Rivers

    2015-03-06

    Flapping wings enable flying animals and biomimetic robots to generate elevated aerodynamic forces. Measurements that demonstrate this capability are based on experiments with tethered robots and animals, and indirect force calculations based on measured kinematics or airflow during free flight. Remarkably, there exists no method to measure these forces directly during free flight. Such in vivo recordings in freely behaving animals are essential to better understand the precise aerodynamic function of their flapping wings, in particular during the downstroke versus upstroke. Here, we demonstrate a new aerodynamic force platform (AFP) for non-intrusive aerodynamic force measurement in freely flying animals and robots. The platform encloses the animal or object that generates fluid force with a physical control surface, which mechanically integrates the net aerodynamic force that is transferred to the earth. Using a straightforward analytical solution of the Navier-Stokes equation, we verified that the method is accurate. We subsequently validated the method with a quadcopter that is suspended in the AFP and generates unsteady thrust profiles. These independent measurements confirm that the AFP is indeed accurate. We demonstrate the effectiveness of the AFP by studying aerodynamic weight support of a freely flying bird in vivo. These measurements confirm earlier findings based on kinematics and flow measurements, which suggest that the avian downstroke, not the upstroke, is primarily responsible for body weight support during take-off and landing.

  4. Metal cutting simulation of 4340 steel using an accurate mechanical description of meterial strength and fracture

    SciTech Connect

    Maudlin, P.J.; Stout, M.G.

    1996-09-01

    Strength and fracture constitutive relationships containing strain rate dependence and thermal softening are important for accurate simulation of metal cutting. The mechanical behavior of a hardened 4340 steel was characterized using the von Mises yield function, the Mechanical Threshold Stress model and the Johnson- Cook fracture model. This constitutive description was implemented into the explicit Lagrangian FEM continuum-mechanics code EPIC, and orthogonal plane-strain metal cutting calculations were performed. Heat conduction and friction at the toolwork-piece interface were included in the simulations. These transient calculations were advanced in time until steady state machining behavior (force) was realized. Experimental cutting force data (cutting and thrust forces) were measured for a planning operation and compared to the calculations. 13 refs., 6 figs.

  5. Time Accurate CFD Simulations of the Orion Launch Abort Vehicle in the Transonic Regime

    NASA Technical Reports Server (NTRS)

    Ruf, Joseph; Rojahn, Josh

    2011-01-01

    Significant asymmetries in the fluid dynamics were calculated for some cases in the CFD simulations of the Orion Launch Abort Vehicle through its abort trajectories. The CFD simulations were performed steady state with symmetric boundary conditions and geometries. The trajectory points at issue were in the transonic regime, at 0 and 5 angles of attack with the Abort Motors with and without the Attitude Control Motors (ACM) firing. In some of the cases the asymmetric fluid dynamics resulted in aerodynamic side forces that were large enough that would overcome the control authority of the ACMs. MSFC s Fluid Dynamics Group supported the investigation into the cause of the flow asymmetries with time accurate CFD simulations, utilizing a hybrid RANS-LES turbulence model. The results show that the flow over the vehicle and the subsequent interaction with the AB and ACM motor plumes were unsteady. The resulting instantaneous aerodynamic forces were oscillatory with fairly large magnitudes. Time averaged aerodynamic forces were essentially symmetric.

  6. Screened Casimir forces

    NASA Astrophysics Data System (ADS)

    Tomaš, M. S.

    2005-06-01

    We demonstrate that a very recently obtained formula for the force on a slab in a material planar cavity based on the calculation of the vacuum Lorentz force [C. Raabe and D.-G. Welsch, Phys. Rev. A 71, 013814 (2005)] describes a (medium) modified Casimir force and, in addition to it, a medium-assisted force. The latter force also describes the force on the cavity medium. For dilute media, it implies the atom-mirror interaction of the Casimir-Polder type at large and of the Coulomb type at small atom-mirror distances of which the sign is insensitive to the polarizability type (electric or magnetic) of the atom.

  7. Observations on the ponderomotive force

    NASA Astrophysics Data System (ADS)

    Burton, D. A.; Cairns, R. A.; Ersfeld, B.; Noble, A.; Yoffe, S.; Jaroszynski, D. A.

    2017-05-01

    The ponderomotive force is an important concept in plasma physics and, in particular, plays an important role in many aspects of the theory of laser plasma interactions including current concerns like wakefield acceleration and Raman amplification. The most familiar form of this gives a force on a charged particle that is proportional to the slowly varying gradient of the intensity of a high frequency electromagnetic field and directed down the intensity gradiant. For a field amplitude simply oscillating in time there is a simple derivation of this formula, but in the more general case of a travelling wave the problem is more difficult. Over the years there has been much work on this using Hamiltonian or Lagrangian averaging techniques, but little or no investigation of how well these theories work. Here we look at the very basic problem of a particle entering a region with a monotonically increasing electrostatic field amplitude and being reflected. We show that the equation of motion derived from a widely quoted ponderomotive potential only agrees with the numerically computed orbit within a restricted parameter range and that outside this range it shows features which are inconsistent with any ponderomotive potential quadratic in the field amplitude. Since the ponderomotive force plays a fundamental role in a variety of problems in plasma physics we think that it is important to point out that even in the simplest of configurations standard theories may not be accurate.

  8. Nanonet Force Microscopy for Measuring Cell Forces.

    PubMed

    Sheets, Kevin; Wang, Ji; Zhao, Wei; Kapania, Rakesh; Nain, Amrinder S

    2016-07-12

    The influence of physical forces exerted by or felt by cells on cell shape, migration, and cytoskeleton arrangement is now widely acknowledged and hypothesized to occur due to modulation of cellular inside-out forces in response to changes in the external fibrous environment (outside-in). Our previous work using the non-electrospinning Spinneret-based Tunable Engineered Parameters' suspended fibers has revealed that cells are able to sense and respond to changes in fiber curvature and structural stiffness as evidenced by alterations to focal adhesion cluster lengths. Here, we present the development and application of a suspended nanonet platform for measuring C2C12 mouse myoblast forces attached to fibers of three diameters (250, 400, and 800 nm) representing a wide range of structural stiffness (3-50 nN/μm). The nanonet force microscopy platform measures cell adhesion forces in response to symmetric and asymmetric external perturbation in single and cyclic modes. We find that contractility-based, inside-out forces are evenly distributed at the edges of the cell, and that forces are dependent on fiber structural stiffness. Additionally, external perturbation in symmetric and asymmetric modes biases cell-fiber failure location without affecting the outside-in forces of cell-fiber adhesion. We then extend the platform to measure forces of (1) cell-cell junctions, (2) single cells undergoing cyclic perturbation in the presence of drugs, and (3) cancerous single-cells transitioning from a blebbing to a pseudopodial morphology. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  9. Evaluation of intermolecular forces in a circulating system.

    PubMed

    Guo, Qiuquan; Liu, Mei; Yang, Jun

    2011-11-01

    Intercellular interactions, which are mediated by a variety of complex intercellular molecules through the processes of formation and dissociation of molecular bonds, play a critical role in regulating cellular functions in biological systems. Various approaches are applied to evaluate intercellular or molecular bonding forces. To quantify the intermolecular interaction forces, flow chamber has become a meaningful technique as it can ultimately mimic the cellular microenvironment in vivo under physiological flow conditions. Hydrodynamic forces are usually used to predict the intercellular forces down to the single molecular level. However, results show that only using hydrodynamic force will overestimate up to 30% of the receptor-ligand strength when the non-specific forces such as Derjaguin-Landau-Verway-Overbeek (DLVO) forces become un-neglected. Due to the nature of high ion concentration in the physiological condition, electrostatic force is largely screened which will cause DLVO force unbalanced. In this study, we propose to take account of the DLVO force, including van der Waals (VDW) force and electrostatic force, to predict the intermolecular forces of a cell doublet and cell-substrate model in a circulating system. Results also show that the DLVO force has a nonlinear effect as the cell-cell or cell-substrate distance changes. In addition, we used the framework of high accuracy hydrodynamic theories proved in colloidal systems. It is concluded that DLVO force could not be ignored in quantitative studies of molecular interaction forces in circulating system. More accurate prediction of intercellular forces needs to take account of both hydrodynamic force and DLVO force. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

  10. Design of Engineering Surfaces Using Quartic Parabolas

    NASA Astrophysics Data System (ADS)

    Chekalin, A. A.; Reshetnikov, M. K.; Shpilev, V. V.; Borodulina, S. V.

    2017-07-01

    The article considers the wireframe-kinematic method of hydrodynamic simulation of surfaces presented by the example of marine craft’s bottom structure. The motion trajectory for the variable shape generator is normally set by a single or a number of directing lines. The law of shape variations of the generator is represented by the graphical or analytical display, or by a set of directing lines. All of these make up the so-called determinant of the surface, which includes the geometry component, or a certain initial position of the generator, and the algorithm component, i.e. the algorithm of the wireframe sealing. The directing line may be simple, described by a single equation, or compsite piecewise-smooth. In this situation, they are commonly modelled using splines, which results in piecewise-smooth surfaces.

  11. Aerodynamic Lifting Force.

    ERIC Educational Resources Information Center

    Weltner, Klaus

    1990-01-01

    Describes some experiments showing both qualitatively and quantitatively that aerodynamic lift is a reaction force. Demonstrates reaction forces caused by the acceleration of an airstream and the deflection of an airstream. Provides pictures of demonstration apparatus and mathematical expressions. (YP)

  12. Aerodynamic Lifting Force.

    ERIC Educational Resources Information Center

    Weltner, Klaus

    1990-01-01

    Describes some experiments showing both qualitatively and quantitatively that aerodynamic lift is a reaction force. Demonstrates reaction forces caused by the acceleration of an airstream and the deflection of an airstream. Provides pictures of demonstration apparatus and mathematical expressions. (YP)

  13. 77 FR 3800 - Accurate NDE & Inspection, LLC; Confirmatory Order

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-25

    ... COMMISSION Accurate NDE & Inspection, LLC; Confirmatory Order In the Matter of Accurate NDE & Docket: 150... request ADR with the NRC in an attempt to resolve issues associated with this matter. In response, on August 9, 2011, Accurate NDE requested ADR to resolve this matter with the NRC. On September 28, 2011...

  14. The Strong Nuclear Force

    SciTech Connect

    Lincoln, Don

    2016-05-24

    Scientists are aware of four fundamental forces- gravity, electromagnetism, and the strong and weak nuclear forces. Most people have at least some familiarity with gravity and electromagnetism, but not the other two. How is it that scientists are so certain that two additional forces exist? In this video, Fermilab’s Dr. Don Lincoln explains why scientists are so certain that the strong force exists.

  15. Fluid force transducer

    DOEpatents

    Jendrzejczyk, Joseph A.

    1982-01-01

    An electrical fluid force transducer for measuring the magnitude and direction of fluid forces caused by lateral fluid flow, includes a movable sleeve which is deflectable in response to the movement of fluid, and a rod fixed to the sleeve to translate forces applied to the sleeve to strain gauges attached to the rod, the strain gauges being connected in a bridge circuit arrangement enabling generation of a signal output indicative of the magnitude and direction of the force applied to the sleeve.

  16. The Strong Nuclear Force

    ScienceCinema

    Lincoln, Don

    2016-07-12

    Scientists are aware of four fundamental forces- gravity, electromagnetism, and the strong and weak nuclear forces. Most people have at least some familiarity with gravity and electromagnetism, but not the other two. How is it that scientists are so certain that two additional forces exist? In this video, Fermilab’s Dr. Don Lincoln explains why scientists are so certain that the strong force exists.

  17. Development of computerized masticatory force measurement system.

    PubMed

    Rane, Vivek; Hamde, Satish; Agrawal, Ankush

    2017-01-01

    The aim of this study was to assess the Maximum Voluntary Bite Force (MVBF) in Indian population with normal occlusion and after treatment of mandibular angle fracture. This paper discusses the development of a sensor fork with modified load cell and computer-based bite force measuring system that generates force profile on the computer. This is a powerful diagnostic tool in response to the needs of dentists seeking an accurate way to dynamically measure occlusion. This study was carried out to evaluate the maximum voluntary bite force generated by the patients after the treatment of mandibular angle fracture. The in vivo measurements were repeated on the following day, week and two months later. The measurements of the device were highly repeatable. This development provides the cost effective and handy equipment for bite force measurement further, if again sensor thickness reduced, we will be able to get more close results of forces that are exactly generated during the mastication process. Our study shows a significant difference in mean bite force efficiency between the all the treatment weeks and increased with time at α = 0.05 level. The gender difference was statistically significant in the male and female.

  18. Prototype cantilevers for quantitative lateral force microscopy

    SciTech Connect

    Reitsma, Mark G.; Gates, Richard S.; Friedman, Lawrence H.; Cook, Robert F.

    2011-09-15

    Prototype cantilevers are presented that enable quantitative surface force measurements using contact-mode atomic force microscopy (AFM). The ''hammerhead'' cantilevers facilita