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Sample records for accurate quartic force

  1. 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.

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

    NASA Astrophysics Data System (ADS)

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

    1993-07-01

    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.

  3. 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.

  4. Limited rotational and rovibrational line lists computed with highly accurate quartic force fields and ab initio dipole surfaces.

    PubMed

    Fortenberry, Ryan C; Huang, Xinchuan; Schwenke, David W; Lee, Timothy J

    2014-02-01

    In this work, computational procedures are employed to compute the rotational and rovibrational spectra and line lists for H2O, CO2, and SO2. Building on the established use of quartic force fields, MP2 and CCSD(T) Dipole Moment Surfaces (DMSs) are computed for each system of study in order to produce line intensities as well as the transition energies. The computed results exhibit a clear correlation to reference data available in the HITRAN database. Additionally, even though CCSD(T) DMSs produce more accurate intensities as compared to experiment, the use of MP2 DMSs results in reliable line lists that are still comparable to experiment. The use of the less computationally costly MP2 method is beneficial in the study of larger systems where use of CCSD(T) would be more costly. PMID:23692860

  5. A procedure for computing accurate ab initio quartic force fields: Application to HO2+ and H2O

    NASA Astrophysics Data System (ADS)

    Huang, Xinchuan; Lee, Timothy J.

    2008-07-01

    A procedure for the calculation of molecular quartic force fields (QFFs) is proposed and investigated. The goal is to generate highly accurate ab initio QFFs that include many of the so-called ``small'' effects that are necessary to achieve high accuracy. The small effects investigated in the present study include correlation of the core electrons (core correlation), extrapolation to the one-particle basis set limit, correction for scalar relativistic contributions, correction for higher-order correlation effects, and inclusion of diffuse functions in the one-particle basis set. The procedure is flexible enough to allow for some effects to be computed directly, while others may be added as corrections. A single grid of points is used and is centered about an initial reference geometry that is designed to be as close as possible to the final ab initio equilibrium structure (with all effects included). It is shown that the least-squares fit of the QFF is not compromised by the added corrections, and the balance between elimination of contamination from higher-order force constants while retaining energy differences large enough to yield meaningful quartic force constants is essentially unchanged from the standard procedures we have used for many years. The initial QFF determined from the least-squares fit is transformed to the exact minimum in order to eliminate gradient terms and allow for the use of second-order perturbation theory for evaluation of spectroscopic constants. It is shown that this step has essentially no effect on the quality of the QFF largely because the initial reference structure is, by design, very close to the final ab initio equilibrium structure. The procedure is used to compute an accurate, purely ab initio QFF for the H2O molecule, which is used as a benchmark test case. The procedure is then applied to the ground and first excited electronic states of the HO2+ molecular cation. Fundamental vibrational frequencies and spectroscopic

  6. Highly accurate quartic force fields, vibrational frequencies, and spectroscopic constants for cyclic and linear C3H3(+).

    PubMed

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

    2011-05-19

    High levels of theory have been used to compute quartic force fields (QFFs) for the cyclic and linear forms of the C(3)H(3)(+) molecular cation, referred to as c-C(3)H(3)(+) and l-C(3)H(3)(+). Specifically, the 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 by use of both vibrational second-order perturbation theory and variational methods to solve the nuclear Schrödinger 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(3)H(3)(+), 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(3)H(3)(+) and l-C(3)H(3)(+) are the most reliable available for the free gas-phase species, and it is hoped that these will be useful in the assignment of future high-resolution laboratory experiments or astronomical observations. PMID:21510653

  7. 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.

  8. 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).

  9. 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.

  10. Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: application to H2O, N2H+, NO2+, and C2H2.

    PubMed

    Huang, Xinchuan; Valeev, Edward F; Lee, Timothy J

    2010-12-28

    One-particle basis set extrapolation is compared with one of the new R12 methods for computing highly accurate quartic force fields (QFFs) and spectroscopic data, including molecular structures, rotational constants, and vibrational frequencies for the H(2)O, N(2)H(+), NO(2)(+), and C(2)H(2) molecules. In general, agreement between the spectroscopic data computed from the best R12 and basis set extrapolation methods is very good with the exception of a few parameters for N(2)H(+) where it is concluded that basis set extrapolation is still preferred. The differences for H(2)O and NO(2)(+) are small and it is concluded that the QFFs from both approaches are more or less equivalent in accuracy. For C(2)H(2), however, a known one-particle basis set deficiency for C-C multiple bonds significantly degrades the quality of results obtained from basis set extrapolation and in this case the R12 approach is clearly preferred over one-particle basis set extrapolation. The R12 approach used in the present study was modified in order to obtain high precision electronic energies, which are needed when computing a QFF. We also investigated including core-correlation explicitly in the R12 calculations, but conclude that current approaches are lacking. Hence core-correlation is computed as a correction using conventional methods. Considering the results for all four molecules, it is concluded that R12 methods will soon replace basis set extrapolation approaches for high accuracy electronic structure applications such as computing QFFs and spectroscopic data for comparison to high-resolution laboratory or astronomical observations, provided one uses a robust R12 method as we have done here. The specific R12 method used in the present study, CCSD(T)(R12), incorporated a reformulation of one intermediate matrix in order to attain machine precision in the electronic energies. Final QFFs for N(2)H(+) and NO(2)(+) were computed, including basis set extrapolation, core-correlation, scalar

  11. On the use of quartic force fields in variational calculations

    NASA Astrophysics Data System (ADS)

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

    2013-06-01

    Quartic force fields (QFFs) have been shown to be one of the most effective ways to efficiently compute vibrational frequencies for small molecules. In this letter we 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 describe the vibrational (or rovibrational) energy levels of an arbitrary molecular system to 5 cm-1 or better compared to experiment. 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.

  12. 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).

  13. Trihydrogen cation with neon and argon: structural, energetic, and spectroscopic data from quartic force fields.

    PubMed

    Theis, Riley A; Fortenberry, Ryan C

    2015-05-21

    The argonium cation, ArH(+), has been previously detected in nature for the first time. This cation is believed to form through the gas-phase reaction of Ar(+) and H2. In this work, quantum chemical techniques show that the reaction of Ar and H3(+) may be a viable alternative or contributor to the creation of ArH(+) corroborating previous analysis. In order to further evaluate this claim, highly accurate quartic force field computations are used to produce spectroscopic data and anharmonic vibrational frequencies for ArH3(+) in its 18 isotopologues. NeH3(+) is also analyzed but has a low Ne-H3(+) dissociation barrier. Therefore, it less likely to be observed. Consequently, NeH(+) is also unlikely to be formed from NeH3(+) as it was also not from NeH2(+). PMID:25923978

  14. 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.

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

    PubMed

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

    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. PMID:25669359

  16. The trans-HOCO radical: Quartic force fields, vibrational frequencies, and spectroscopic constants

    NASA Astrophysics Data System (ADS)

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

    2011-10-01

    In the search for a full mechanism creating CO2 from OH + CO, it has been suggested that creation of the hydroxyformyl or HOCO radical may be a necessary step. This reaction and its transient intermediate may also be responsible for the regeneration of CO2 in such high quantities in the atmosphere of Mars. Past spectroscopic observations of this radical have been limited and a full gas phase set of the fundamental vibrational frequencies of the HOCO radical has not been reported. Using established, highly accurate quantum chemical coupled cluster techniques and quartic force fields, we are able to compute all six fundamental vibrational frequencies and other spectroscopic constants for trans-HOCO in the gas phase. These methods have yielded rotational constants that are within 0.01 cm-1 for A0 and 10-4 cm-1 for B0 and C0 compared with experiment as well as fundamental vibrational frequencies within 4 cm-1 of the known gas phase experimental ν1 and ν2 modes. Such results lead us to conclude that our prediction of the other four fundamental modes of trans-HOCO are also quite reliable for comparison to future experimental observation, though the discrepancy for the torsional mode may be larger since it is fairly anharmonic. With the upcoming European Space Agency/NASA ExoMars Trace Gas Orbiter, these data may help to establish whether HOCO is present in the Martian sky and what role it may play in the retention of a CO2-rich atmosphere. Furthermore, these data may also help to clear up questions built around the fundamental chemical process of how exactly the OH + CO reaction progresses.

  17. 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.

  18. 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.

  19. Protonated nitrous oxide, NNOH+: fundamental vibrational frequencies and spectroscopic constants from quartic force fields.

    PubMed

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

    2013-08-28

    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(J) quartic distortion constants agree with experiment to within 3%. The known gas phase O-H stretch of NNOH(+) is 3330.91 cm(-1), and the vibrational configuration interaction computed result is 3330.9 cm(-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 interstellar medium and the laboratory. PMID:24007003

  20. 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.

  1. In search of the next Holy Grail of polyoxide chemistry: Explicitly correlated ab initio full quartic force fields for HOOH, HOOOH, HOOOOH, and their isotopologues

    NASA Astrophysics Data System (ADS)

    Hollman, David S.; Schaefer, Henry F.

    2012-02-01

    Explicitly correlated ab initio methods have been used to compute full quartic force fields for the three chain minima for HOOOOH, which are found to lie within 1 kcal mol-1. The CCSD(T)-F12 method with the cc-pVTZ-F12 basis set was used to compute equilibrium structures, anharmonic vibrational frequencies, and rotational constants for HOOH, HOOOH, and three chain isomers of HOOOOH, with the two former force fields being used as benchmarks for the latter three. The full quartic force fields were computed in such a way as to yield fundamental frequencies for all isotopologues at once. The present research confirms the recent experimental identification of HOOOH and provides reliable force fields in support of future experimental work on the enigmatic bonding paradigms involved in the HOOOOH chain.

  2. 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.

  3. Anharmonic rovibrational calculations of singlet cyclic C4 using a new ab initio potential and a quartic force field.

    PubMed

    Wang, Xiaohong; Huang, Xinchuan; Bowman, Joel M; 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 C4. 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(-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 C2v-symmetry, single (13)C-substituted isotopologues are presented, which may help identification of cyclic C4 in future experimental analyses or astronomical observations. PMID:24329063

  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. 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.

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

    PubMed

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

    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. PMID:26671382

  7. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    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. 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. PMID:27555365

  10. 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.

  11. 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.

  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. 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.

  14. 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.

  15. A general, accurate procedure for calculating molecular interaction force.

    PubMed

    Yang, Pinghai; Qian, Xiaoping

    2009-09-15

    The determination of molecular interaction forces, e.g., van der Waals force, between macroscopic bodies is of fundamental importance for understanding sintering, adhesion and fracture processes. In this paper, we develop an accurate, general procedure for van der Waals force calculation. This approach extends a surface formulation that converts a six-dimensional (6D) volume integral into a 4D surface integral for the force calculation. It uses non-uniform rational B-spline (NURBS) surfaces to represent object surfaces. Surface integrals are then done on the parametric domain of the NURBS surfaces. It has combined advantages of NURBS surface representation and surface formulation, including (1) molecular interactions between arbitrary-shaped objects can be represented and evaluated by the NURBS model further common geometries such as spheres, cones, planes can be represented exactly and interaction forces are thus calculated accurately; (2) calculation efficiency is improved by converting the volume integral to the surface integral. This approach is implemented and validated via its comparison with analytical solutions for simple geometries. Calculation of van der Waals force between complex geometries with surface roughness is also demonstrated. A tutorial on the NURBS approach is given in Appendix A. PMID:19596335

  16. Pure-quartic solitons.

    PubMed

    Blanco-Redondo, Andrea; de Sterke, C Martijn; 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

  17. 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

  18. Pure-quartic solitons

    NASA Astrophysics Data System (ADS)

    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.

  19. 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.

  20. 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

  1. 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.

  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. Accurate forced-choice recognition without awareness of memory retrieval.

    PubMed

    Voss, Joel L; Baym, Carol L; Paller, Ken A

    2008-06-01

    Recognition confidence and the explicit awareness of memory retrieval commonly accompany accurate responding in recognition tests. Memory performance in recognition tests is widely assumed to measure explicit memory, but the generality of this assumption is questionable. Indeed, whether recognition in nonhumans is always supported by explicit memory is highly controversial. Here we identified circumstances wherein highly accurate recognition was unaccompanied by hallmark features of explicit memory. When memory for kaleidoscopes was tested using a two-alternative forced-choice recognition test with similar foils, recognition was enhanced by an attentional manipulation at encoding known to degrade explicit memory. Moreover, explicit recognition was most accurate when the awareness of retrieval was absent. These dissociations between accuracy and phenomenological features of explicit memory are consistent with the notion that correct responding resulted from experience-dependent enhancements of perceptual fluency with specific stimuli--the putative mechanism for perceptual priming effects in implicit memory tests. This mechanism may contribute to recognition performance in a variety of frequently-employed testing circumstances. Our results thus argue for a novel view of recognition, in that analyses of its neurocognitive foundations must take into account the potential for both (1) recognition mechanisms allied with implicit memory and (2) recognition mechanisms allied with explicit memory. PMID:18519546

  4. Lateral force calibration: accurate procedures for colloidal probe friction measurements in atomic force microscopy.

    PubMed

    Chung, Koo-Hyun; Pratt, Jon R; Reitsma, Mark G

    2010-01-19

    The colloidal probe technique for atomic force microscopy (AFM) has allowed the investigation of an extensive range of surface force phenomena, including the measurement of frictional (lateral) forces between numerous materials. The quantitative accuracy of such friction measurements is often debated, in part due to a lack of confidence in existing calibration strategies. Here we compare three in situ AFM lateral force calibration techniques using a single colloidal probe, seeking to establish a foundation for quantitative measurement by linking these techniques to accurate force references available at the National Institute of Standards and Technology. We introduce a procedure for calibrating the AFM lateral force response to known electrostatic forces applied directly to the conductive colloidal probe. In a second procedure, we apply known force directly to the colloidal probe using a precalibrated piezo-resistive reference cantilever. We found agreement between these direct methods on the order of 2% (within random uncertainty for both measurements). In a third procedure, we performed a displacement-based calibration using the piezo-resistive reference cantilever as a stiffness reference artifact. The method demonstrated agreement on the order of 7% with the direct force methods, with the difference attributed to an expected systematic uncertainty, caused by in-plane deflection in the cantilever during loading. The comparison establishes the existing limits of instrument accuracy and sets down a basis for selection criteria for materials and methods in colloidal probe friction (lateral) force measurements via atomic force microscopy. PMID:19827782

  5. Quartic gauge boson couplings

    NASA Astrophysics Data System (ADS)

    He, Hong-Jian

    1998-08-01

    We review the recent progress in studying the anomalous electroweak quartic gauge boson couplings (QGBCs) at the LHC and the next generation high energy e±e- linear colliders (LCs). The main focus is put onto the strong electroweak symmetry breaking scenario in which the non-decoupling guarantees sizable new physics effects for the QGBCs. After commenting upon the current low energy indirect bounds and summarizing the theoretical patterns of QGBCs predicted by the typical resonance/non-resonance models, we review our systematic model-independent analysis on bounding them via WW-fusion and WWZ/ZZZ-production. The interplay of the two production mechanisms and the important role of the beam-polarization at the LCs are emphasized. The same physics may be similarly and better studied at a multi-TeV muon collider with high luminosity.

  6. 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.

  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. PMID:26349916

  8. Quartic Rotation Criteria and Algorithms.

    ERIC Educational Resources Information Center

    Clarkson, Douglas B.; Jennrich, Robert I.

    1988-01-01

    Most of the current analytic rotation criteria for simple structure in factor analysis are summarized and identified as members of a general symmetric family of quartic criteria. A unified development of algorithms for orthogonal and direct oblique rotation using arbitrary criteria from this family is presented. (Author/TJH)

  9. Accurate Extraction of Electrostatic Force by a Voltage-Pulse Force Spectroscopy.

    PubMed

    Inami, Eiichi; Sugimoto, Yoshiaki

    2015-06-19

    The classification of interaction forces between two approaching bodies is important in a wide range of research fields. Here, we propose a method to unambiguously extract the electrostatic force (F(ele)), which is one of the most significant forces. This method is based on the measurement of the energy dissipation under applied voltage pulse between an atomic force microscopy (AFM) tip and sample. It allowed us to obtain F(ele) as a function of the tip-sample distance and voltage including the distance-independent part, to which conventional AFM is insensitive. The obtained F(ele) curves nicely fit the analytical model, enabling estimation of the geometry of the tip. The distance-dependent contact potential difference could also be correctly obtained by the measured F(ele), opening an alternative route to quantitative Kelvin probe force microscopy. PMID:26196989

  10. Accurate Extraction of Electrostatic Force by a Voltage-Pulse Force Spectroscopy

    NASA Astrophysics Data System (ADS)

    Inami, Eiichi; Sugimoto, Yoshiaki

    2015-06-01

    The classification of interaction forces between two approaching bodies is important in a wide range of research fields. Here, we propose a method to unambiguously extract the electrostatic force (Fele ), which is one of the most significant forces. This method is based on the measurement of the energy dissipation under applied voltage pulse between an atomic force microscopy (AFM) tip and sample. It allowed us to obtain Fele as a function of the tip-sample distance and voltage including the distance-independent part, to which conventional AFM is insensitive. The obtained Fele curves nicely fit the analytical model, enabling estimation of the geometry of the tip. The distance-dependent contact potential difference could also be correctly obtained by the measured Fele, opening an alternative route to quantitative Kelvin probe force microscopy.

  11. 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.

  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. 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.

  14. A finite element technique for accurate determination of interfacial adhesion force in MEMS using electrostatic actuation

    NASA Astrophysics Data System (ADS)

    Shavezipur, M.; Li, G. H.; Laboriante, I.; Gou, W. J.; Carraro, C.; Maboudian, R.

    2011-11-01

    This paper reports on accurate analysis of adhesion force between polysilicon-polysilicon surfaces in micro-/nanoelectromechanical systems (M/NEMS). The measurement is carried out using double-clamped beams. Electrostatic actuation and structural restoring force are exploited to respectively initiate and terminate the contact between the two surfaces under investigation. The adhesion force is obtained by balancing the electrostatic and mechanical forces acting on the beam just before the separation of the two surfaces. Different finite element models are developed to simulate the coupled-field multiphysics problem. The effects of fringing field in the electrostatic domain and geometric nonlinearity and residual stress in the structural domain are taken into consideration. Moreover, the beam stiffness is directly obtained for the case of combined loading (electrostatic and adhesion). Therefore, the overall electrostatic and structural forces used to extract the actual adhesion force from measured data are determined with high accuracy leading to accurate values for the adhesion force. The finite element simulations presented in this paper are not limited to adhesion force measurement and can be used to design or characterize electrostatically actuated devices such as MEM tunable capacitors and micromirrors, RF switches and M/NEM relays.

  15. Age-related changes in multifinger synergies in accurate moment of force production tasks

    PubMed Central

    Olafsdottir, Halla; Zhang, Wei; Zatsiorsky, Vladimir M.; Latash, Mark L.

    2010-01-01

    The purpose of this investigation was to document and quantify age-related differences in the coordination of fingers during a task that required production of an accurate time profile of the total moment of force by the four fingers of a hand. We hypothesized that elderly subjects would show a decreased ability to stabilize a time profile of the total moment of force, leading to larger indexes of moment variability compared with young subjects. The subjects followed a trapezoidal template on a computer screen by producing a time profile of the total moment of force while pressing down on force sensors with the four fingers of the right (dominant) hand. To quantify synergies, we used the framework of the uncontrolled manifold hypothesis. The elderly subjects produced larger total force, larger variance of both total force and total moment of force, and larger involvement of fingers that produced moment of force against the required moment direction (antagonist moment). This was particularly prominent during supination efforts. Young subjects showed covariation of commands to fingers across trials that stabilized the moment of total force (moment-stabilizing synergy), while elderly subjects failed to do so. Both subject groups showed similar indexes of covariation of commands to the fingers that stabilized the time profile of the total force. The lack of moment-stabilizing synergies may be causally related to the documented impairment of hand function with age. PMID:17204576

  16. 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. PMID:27230942

  17. 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

  18. Improved dynamic compensation for accurate cutting force measurements in milling applications

    NASA Astrophysics Data System (ADS)

    Scippa, A.; Sallese, L.; Grossi, N.; Campatelli, G.

    2015-03-01

    Accurate cutting-force measurements appear to be the key information in most of the machining related studies as they are fundamental in understanding the cutting processes, optimizing the cutting operations and evaluating the presence of instabilities that could affect the effectiveness of cutting processes. A variety of specifically designed transducers are commercially available nowadays and many different approaches in measuring cutting forces are presented in literature. The available transducers, though, express some limitations since they are conditioned by the vibration of the surrounding system and by the transducer's natural frequency. These parameters can drastically affect the measurement accuracy in some cases; hence an effective and accurate tool is required to compensate those dynamically induced errors in cutting force measurements. This work is aimed at developing and testing a compensation technique based on Kalman filter estimator. Two different approaches named "band-fitting" and "parallel elaboration" methods, have been developed to extend applications of this compensation technique, especially for milling purpose. The compensation filter has been designed upon the experimentally identified system's dynamic and its accuracy and effectiveness has been evaluated by numerical and experimental tests. Finally its specific application in cutting force measurements compensation is described.

  19. 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

  20. 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

    2015-01-01

    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

  1. 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.

  2. 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.

  3. Accurate Structure Prediction and Conformational Analysis of Cyclic Peptides with Residue-Specific Force Fields.

    PubMed

    Geng, Hao; Jiang, Fan; Wu, Yun-Dong

    2016-05-19

    Cyclic peptides (CPs) are promising candidates for drugs, chemical biology tools, and self-assembling nanomaterials. However, the development of reliable and accurate computational methods for their structure prediction has been challenging. Here, 20 all-trans CPs of 5-12 residues selected from Cambridge Structure Database have been simulated using replica-exchange molecular dynamics with four different force fields. Our recently developed residue-specific force fields RSFF1 and RSFF2 can correctly identify the crystal-like conformations of more than half CPs as the most populated conformation. The RSFF2 performs the best, which consistently predicts the crystal structures of 17 out of 20 CPs with rmsd < 1.1 Å. We also compared the backbone (ϕ, ψ) sampling of residues in CPs with those in short linear peptides and in globular proteins. In general, unlike linear peptides, CPs have local conformational free energies and entropies quite similar to globular proteins. PMID:27128113

  4. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

    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.

  6. 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.

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

    PubMed

    Lee, Myung Won; Meuwly, Markus

    2013-12-14

    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. PMID:24170171

  8. 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.

  9. Methodology to set up accurate OPC model using optical CD metrology and atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Shim, Yeon-Ah; Kang, Jaehyun; Lee, Sang-Uk; Kim, Jeahee; Kim, Keeho

    2007-03-01

    For the 90nm node and beyond, smaller Critical Dimension(CD) control budget is required and the ways to control good CD uniformity are needed. Moreover Optical Proximity Correction(OPC) for the sub-90nm node demands more accurate wafer CD data in order to improve accuracy of OPC model. Scanning Electron Microscope (SEM) is the typical method for measuring CD until ArF process. However SEM can give serious attack such as shrinkage of Photo Resist(PR) by burning of weak chemical structure of ArF PR due to high energy electron beam. In fact about 5nm CD narrowing occur when we measure CD by using CD-SEM in ArF photo process. Optical CD Metrology(OCD) and Atomic Force Microscopy(AFM) has been considered to the method for measuring CD without attack of organic materials. Also the OCD and AFM measurement system have the merits of speed, easiness and accurate data. For model-based OPC, the model is generated using CD data of test patterns transferred onto the wafer. In this study we discuss to generate accurate OPC model using OCD and AFM measurement system.

  10. Stability of a Quartic Functional Equation

    PubMed Central

    2014-01-01

    We obtain the general solution of the generalized quartic functional equation f(x + my) + f(x − my) = 2(7m − 9)(m − 1)f(x) + 2m2(m2 − 1)f(y)−(m − 1)2f(2x) + m2{f(x + y) + f(x − y)} for a fixed positive integer m. We prove the Hyers-Ulam stability for this quartic functional equation by the directed method and the fixed point method on real Banach spaces. We also investigate the Hyers-Ulam stability for the mentioned quartic functional equation in non-Archimedean spaces. PMID:24587750

  11. 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.

  12. 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.

  13. The variance needed to accurately describe jump height from vertical ground reaction force data.

    PubMed

    Richter, Chris; McGuinness, Kevin; O'Connor, Noel E; Moran, Kieran

    2014-12-01

    In functional principal component analysis (fPCA) a threshold is chosen to define the number of retained principal components, which corresponds to the amount of preserved information. A variety of thresholds have been used in previous studies and the chosen threshold is often not evaluated. The aim of this study is to identify the optimal threshold that preserves the information needed to describe a jump height accurately utilizing vertical ground reaction force (vGRF) curves. To find an optimal threshold, a neural network was used to predict jump height from vGRF curve measures generated using different fPCA thresholds. The findings indicate that a threshold from 99% to 99.9% (6-11 principal components) is optimal for describing jump height, as these thresholds generated significantly lower jump height prediction errors than other thresholds. PMID:25010220

  14. Accurate rotor loads prediction using the FLAP (Force and Loads Analysis Program) dynamics code

    SciTech Connect

    Wright, A.D.; Thresher, R.W.

    1987-10-01

    Accurately predicting wind turbine blade loads and response is very important in predicting the fatigue life of wind turbines. There is a clear need in the wind turbine community for validated and user-friendly structural dynamics codes for predicting blade loads and response. At the Solar Energy Research Institute (SERI), a Force and Loads Analysis Program (FLAP) has been refined and validated and is ready for general use. Currently, FLAP is operational on an IBM-PC compatible computer and can be used to analyze both rigid- and teetering-hub configurations. The results of this paper show that FLAP can be used to accurately predict the deterministic loads for rigid-hub rotors. This paper compares analytical predictions to field test measurements for a three-bladed, upwind turbine with a rigid-hub configuration. The deterministic loads predicted by FLAP are compared with 10-min azimuth averages of blade root flapwise bending moments for different wind speeds. 6 refs., 12 figs., 3 tabs.

  15. 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.

  16. 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

  17. Recent Progress on Certain Quartic Diophantine Equations

    NASA Astrophysics Data System (ADS)

    Walsh, P. G.

    2008-01-01

    Wilhelm Ljunggren proved many results on quartic Diophantine equations of the form aX4-bY2 = c, with c∈{±1,-2,±4}. Noticeably absent from this set of values of c is c = 2. We describe some recent progress on this problem, and discuss some open problems which require further study.

  18. 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.

  19. Accurate measurement of Atomic Force Microscope cantilever deflection excluding tip-surface contact with application to force calibration.

    PubMed

    Slattery, Ashley D; Blanch, Adam J; Quinton, Jamie S; Gibson, Christopher T

    2013-08-01

    calibrate the cantilever spring constant using the thermal noise method, allowing complete force calibration to be accurately performed without tip-sample contact. PMID:23685172

  20. 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.

  1. Positivity preserving using GC1 rational quartic spline

    NASA Astrophysics Data System (ADS)

    Abdul Karim, Samsul Ariffin; Pang, Kong Voon; Hashim, Ishak

    2013-04-01

    In this paper, we study the shape preserving interpolation for positive data using a rational quartic spline which has a quartic numerator and linear denominator. The rational quartic splines have GC1 continuity at join knots. Simple data dependent constraints are derived on the shape parameters in the description of the rational interpolant. Numerical comparison between the proposed scheme and the existing scheme is discussed. The results indicate that the proposed scheme works well for all tested data sets.

  2. Monotonicity preserving using GC1 rational quartic spline

    NASA Astrophysics Data System (ADS)

    Karim, Samsul Ariffin Abdul; Pang, Kong Voon

    2012-09-01

    This paper proposed GC1 rational quartic spline (quartic numerator and linear denominator) with two parameters to preserve the shape of the monotone data. Simple data dependent constraints will be derived on one of the parameters while the other is free to modify and refine the resultant shape of the data. Both parameters are independent to each other. The method under consideration here, avoid the modification of the derivative when the sufficient condition for the monotonicity are violated as can be noticed in the original construction of C1 rational quartic spline with linear denominator. Numerical comparison between the proposed scheme and C1 rational quartic spline will be given.

  3. Ab initio molecular dynamics with noisy and cheap quantum Monte Carlo forces: accurate calculation of vibrational frequencies

    NASA Astrophysics Data System (ADS)

    Luo, Ye; Sorella, Sandro

    2014-03-01

    We introduce a general and efficient method for the calculation of vibrational frequencies of electronic systems, ranging from molecules to solids. By performing damped molecular dynamics with ab initio forces, we show that quantum vibrational frequencies can be evaluated by diagonalizing the time averaged position-position or force-force correlation matrices, although the ionic motion is treated on the classical level within the Born-Oppenheimer approximation. The novelty of our approach is to evaluate atomic forces with QMC by means of a highly accurate and correlated variational wave function which is optimized simultaneously during the dynamics. QMC is an accurate and promising many-body technique for electronic structure calculation thanks to massively parallel computers. However, since infinite statistics is not feasible, property evaluation may be affected by large noise that is difficult to harness. Our approach controls the QMC stochastic bias systematically and gives very accurate results with moderate computational effort, namely even with noisy forces. We prove the accuracy and efficiency of our method on the water monomer[A. Zen et al., JCTC 9 (2013) 4332] and dimer. We are currently working on the challenging problem of simulating liquid water at ambient conditions.

  4. 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.

  5. 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.

  6. Quantum mechanics with a quartic dispersion law

    NASA Astrophysics Data System (ADS)

    Ruhl, Joanna

    Creation of three-dimensional matter waves, the three-dimensional analog of one-dimensional solitons, has been a goal of experimental physics for some time. A recent proposal has suggested that changing the dispersion law from quadratic to quartic for ultra cold atoms in a shaken lattice should allow for the creation of these objects. In this thesis, we develop the theoretical basis for quantum mechanics with a quartic dispersion law. The probability current functional is constructed from the corresponding time-dependent Schrodinger equation, and used to derive the junction conditions that connect the derivatives of the wavefunction on one side of a potential discontinuity to the ones on the other side. Reflection and transmission amplitudes are determined for scattering problems concerning both step potentials and rectangular barriers/wells. For sufficiently narrow barriers/wells, we show that a delta-potential constitutes a simple but reliable model for the scatterer. The scattering properties of wide barriers/wells are consistent with the predictions of the classical theory. Finally, we find the eigenstates and eigenenergies of a particle in an infinitely deep well. A simple approximate expression for the high-energy spectrum is obtained; it is found to be fully consistent with Weyl's law. Our results should aid in the development of experimental systems capable of creating and sustaining self-supporting, mobile, three-dimensional matter waves.

  7. The general AMBER force field (GAFF) can accurately predict thermodynamic and transport properties of many ionic liquids.

    PubMed

    Sprenger, K G; Jaeger, Vance W; Pfaendtner, Jim

    2015-05-01

    We have applied molecular dynamics to calculate thermodynamic and transport properties of a set of 19 room-temperature ionic liquids. Since accurately simulating the thermophysical properties of solvents strongly depends upon the force field of choice, we tested the accuracy of the general AMBER force field, without refinement, for the case of ionic liquids. Electrostatic point charges were developed using ab initio calculations and a charge scaling factor of 0.8 to more accurately predict dynamic properties. The density, heat capacity, molar enthalpy of vaporization, self-diffusivity, and shear viscosity of the ionic liquids were computed and compared to experimentally available data, and good agreement across a wide range of cation and anion types was observed. Results show that, for a wide range of ionic liquids, the general AMBER force field, with no tuning of parameters, can reproduce a variety of thermodynamic and transport properties with similar accuracy to that of other published, often IL-specific, force fields. PMID:25853313

  8. Evaluating Mesoscale Numerical Weather Predictions and Spatially Distributed Meteorologic Forcing Data for Developing Accurate SWE Forecasts over Large Mountain Basins

    NASA Astrophysics Data System (ADS)

    Hedrick, A. R.; Marks, D. G.; Winstral, A. H.; Marshall, H. P.

    2014-12-01

    The ability to forecast snow water equivalent, or SWE, in mountain catchments would benefit many different communities ranging from avalanche hazard mitigation to water resource management. Historical model runs of Isnobal, the physically based energy balance snow model, have been produced over the 2150 km2 Boise River Basin for water years 2012 - 2014 at 100-meter resolution. Spatially distributed forcing parameters such as precipitation, wind, and relative humidity are generated from automated weather stations located throughout the watershed, and are supplied to Isnobal at hourly timesteps. Similarly, the Weather Research & Forecasting (WRF) Model provides hourly predictions of the same forcing parameters from an atmospheric physics perspective. This work aims to quantitatively compare WRF model output to the spatial meteorologic fields developed to force Isnobal, with the hopes of eventually using WRF predictions to create accurate hourly forecasts of SWE over a large mountainous basin.

  9. Equilibrium and Kinetics of DNA Overstretching Modeled with a Quartic Energy Landscape

    PubMed Central

    Argudo, David; Purohit, Prashant K.

    2014-01-01

    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. PMID:25418100

  10. Are current atomistic force fields accurate enough to study proteins in crowded environments?

    PubMed

    Petrov, Drazen; Zagrovic, Bojan

    2014-05-01

    The high concentration of macromolecules in the crowded cellular interior influences different thermodynamic and kinetic properties of proteins, including their structural stabilities, intermolecular binding affinities and enzymatic rates. Moreover, various structural biology methods, such as NMR or different spectroscopies, typically involve samples with relatively high protein concentration. Due to large sampling requirements, however, the accuracy of classical molecular dynamics (MD) simulations in capturing protein behavior at high concentration still remains largely untested. Here, we use explicit-solvent MD simulations and a total of 6.4 µs of simulated time to study wild-type (folded) and oxidatively damaged (unfolded) forms of villin headpiece at 6 mM and 9.2 mM protein concentration. We first perform an exhaustive set of simulations with multiple protein molecules in the simulation box using GROMOS 45a3 and 54a7 force fields together with different types of electrostatics treatment and solution ionic strengths. Surprisingly, the two villin headpiece variants exhibit similar aggregation behavior, despite the fact that their estimated aggregation propensities markedly differ. Importantly, regardless of the simulation protocol applied, wild-type villin headpiece consistently aggregates even under conditions at which it is experimentally known to be soluble. We demonstrate that aggregation is accompanied by a large decrease in the total potential energy, with not only hydrophobic, but also polar residues and backbone contributing substantially. The same effect is directly observed for two other major atomistic force fields (AMBER99SB-ILDN and CHARMM22-CMAP) as well as indirectly shown for additional two (AMBER94, OPLS-AAL), and is possibly due to a general overestimation of the potential energy of protein-protein interactions at the expense of water-water and water-protein interactions. Overall, our results suggest that current MD force fields may distort the

  11. Are Current Atomistic Force Fields Accurate Enough to Study Proteins in Crowded Environments?

    PubMed Central

    Petrov, Drazen; Zagrovic, Bojan

    2014-01-01

    The high concentration of macromolecules in the crowded cellular interior influences different thermodynamic and kinetic properties of proteins, including their structural stabilities, intermolecular binding affinities and enzymatic rates. Moreover, various structural biology methods, such as NMR or different spectroscopies, typically involve samples with relatively high protein concentration. Due to large sampling requirements, however, the accuracy of classical molecular dynamics (MD) simulations in capturing protein behavior at high concentration still remains largely untested. Here, we use explicit-solvent MD simulations and a total of 6.4 µs of simulated time to study wild-type (folded) and oxidatively damaged (unfolded) forms of villin headpiece at 6 mM and 9.2 mM protein concentration. We first perform an exhaustive set of simulations with multiple protein molecules in the simulation box using GROMOS 45a3 and 54a7 force fields together with different types of electrostatics treatment and solution ionic strengths. Surprisingly, the two villin headpiece variants exhibit similar aggregation behavior, despite the fact that their estimated aggregation propensities markedly differ. Importantly, regardless of the simulation protocol applied, wild-type villin headpiece consistently aggregates even under conditions at which it is experimentally known to be soluble. We demonstrate that aggregation is accompanied by a large decrease in the total potential energy, with not only hydrophobic, but also polar residues and backbone contributing substantially. The same effect is directly observed for two other major atomistic force fields (AMBER99SB-ILDN and CHARMM22-CMAP) as well as indirectly shown for additional two (AMBER94, OPLS-AAL), and is possibly due to a general overestimation of the potential energy of protein-protein interactions at the expense of water-water and water-protein interactions. Overall, our results suggest that current MD force fields may distort the

  12. 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.

  13. 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 Astrophysics Data System (ADS)

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

    2013-05-01

    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 → 3) and growing as J increases, the assignment of the observed rotational lines from the Horsehead nebula to l-C3H+ is questionable.

  14. 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.

  15. Accurate predictions of dielectrophoretic force and torque on particles with strong mutual field, particle, and wall interactions

    NASA Astrophysics Data System (ADS)

    Liu, Qianlong; Reifsnider, Kenneth

    2012-11-01

    The basis of dielectrophoresis (DEP) is the prediction of the force and torque on particles. The classical approach to the prediction is based on the effective moment method, which, however, is an approximate approach, assumes infinitesimal particles. Therefore, it is well-known that for finite-sized particles, the DEP approximation is inaccurate as the mutual field, particle, wall interactions become strong, a situation presently attracting extensive research for practical significant applications. In the present talk, we provide accurate calculations of the force and torque on the particles from first principles, by directly resolving the local geometry and properties and accurately accounting for the mutual interactions for finite-sized particles with both dielectric polarization and conduction in a sinusoidally steady-state electric field. Since the approach has a significant advantage, compared to other numerical methods, to efficiently simulate many closely packed particles, it provides an important, unique, and accurate technique to investigate complex DEP phenomena, for example heterogeneous mixtures containing particle chains, nanoparticle assembly, biological cells, non-spherical effects, etc. This study was supported by the Department of Energy under funding for an EFRC (the HeteroFoaM Center), grant no. DE-SC0001061.

  16. 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.

  17. 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.

  18. 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.

  19. Accurate Evaluation of Ion Conductivity of the Gramicidin A Channel Using a Polarizable Force Field without Any Corrections.

    PubMed

    Peng, Xiangda; Zhang, Yuebin; Chu, Huiying; Li, Yan; Zhang, Dinglin; Cao, Liaoran; Li, Guohui

    2016-06-14

    Classical molecular dynamic (MD) simulation of membrane proteins faces significant challenges in accurately reproducing and predicting experimental observables such as ion conductance and permeability due to its incapability of precisely describing the electronic interactions in heterogeneous systems. In this work, the free energy profiles of K(+) and Na(+) permeating through the gramicidin A channel are characterized by using the AMOEBA polarizable force field with a total sampling time of 1 μs. Our results indicated that by explicitly introducing the multipole terms and polarization into the electrostatic potentials, the permeation free energy barrier of K(+) through the gA channel is considerably reduced compared to the overestimated results obtained from the fixed-charge model. Moreover, the estimated maximum conductance, without any corrections, for both K(+) and Na(+) passing through the gA channel are much closer to the experimental results than any classical MD simulations, demonstrating the power of AMOEBA in investigating the membrane proteins. PMID:27171823

  20. Towards an accurate representation of electrostatics in classical force fields: Efficient implementation of multipolar interactions in biomolecular simulations

    NASA Astrophysics Data System (ADS)

    Sagui, Celeste; Pedersen, Lee G.; Darden, Thomas A.

    2004-01-01

    The accurate simulation of biologically active macromolecules faces serious limitations that originate in the treatment of electrostatics in the empirical force fields. The current use of "partial charges" is a significant source of errors, since these vary widely with different conformations. By contrast, the molecular electrostatic potential (MEP) obtained through the use of a distributed multipole moment description, has been shown to converge to the quantum MEP outside the van der Waals surface, when higher order multipoles are used. However, in spite of the considerable improvement to the representation of the electronic cloud, higher order multipoles are not part of current classical biomolecular force fields due to the excessive computational cost. In this paper we present an efficient formalism for the treatment of higher order multipoles in Cartesian tensor formalism. The Ewald "direct sum" is evaluated through a McMurchie-Davidson formalism [L. McMurchie and E. Davidson, J. Comput. Phys. 26, 218 (1978)]. The "reciprocal sum" has been implemented in three different ways: using an Ewald scheme, a particle mesh Ewald (PME) method, and a multigrid-based approach. We find that even though the use of the McMurchie-Davidson formalism considerably reduces the cost of the calculation with respect to the standard matrix implementation of multipole interactions, the calculation in direct space remains expensive. When most of the calculation is moved to reciprocal space via the PME method, the cost of a calculation where all multipolar interactions (up to hexadecapole-hexadecapole) are included is only about 8.5 times more expensive than a regular AMBER 7 [D. A. Pearlman et al., Comput. Phys. Commun. 91, 1 (1995)] implementation with only charge-charge interactions. The multigrid implementation is slower but shows very promising results for parallelization. It provides a natural way to interface with continuous, Gaussian-based electrostatics in the future. It is

  1. Tests of anomalous quartic couplings at the Next Linear Collider

    NASA Astrophysics Data System (ADS)

    Éboli, O. J. P.; Gonzalez-Garcia, M. C.; Mizukoshi, J. K.

    1998-08-01

    We analyze the potential of the Next Linear e+e- Collider to study anomalous quartic vector-boson interactions through the processes e+e--->W+W-Z and ZZZ. In the framework of SU(2)L⊗U(1)Y chiral Lagrangians, we examine all effective operators of order p4 that lead to four-gauge-boson interactions but do not induce anomalous trilinear vertices. In our analysis, we take into account the decay of the vector bosons to fermions and evaluate the efficiency in their reconstruction. We obtain the bounds that can be placed on the anomalous quartic interactions and we study the strategies to distinguish the possible couplings.

  2. Symmetrized quartic polynomial oscillators and their partial exact solvability

    NASA Astrophysics Data System (ADS)

    Znojil, Miloslav

    2016-04-01

    Sextic polynomial oscillator is probably the best known quantum system which is partially exactly alias quasi-exactly solvable (QES), i.e., which possesses closed-form, elementary-function bound states ψ (x) at certain couplings and energies. In contrast, the apparently simpler and phenomenologically more important quartic polynomial oscillator is not QES. A resolution of the paradox is proposed: The one-dimensional Schrödinger equation is shown QES after the analyticity-violating symmetrization V (x) = A | x | + Bx2 + C | x|3 +x4 of the quartic polynomial potential.

  3. Differential geometry of the Fermat quartic and theta functions

    NASA Astrophysics Data System (ADS)

    Hadnot, Jason

    2012-02-01

    The universal curve over a finite cover of the moduli space of elliptic curves with level four structure is embedded in C as the Fermat quartic and is parametrized via the four Jacobi theta functions. Constructions from completely integrable systems have shown the importance of looking at the curvature of certain spaces and here we compute sectional curvatures. For our computations, we choose the ambient Fubini-Study metric of C. We also derive several theta identities which arise from the quartic's holomorphic two-form.

  4. 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.

  5. 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.

  6. Triple and quartic gauge couplings at LEP 2

    NASA Astrophysics Data System (ADS)

    Brunelière, R.

    We review the status of published and preliminary measurements of triple and quartic gauge boson couplings from the four LEP experiments. Charged current triple gauge boson couplings (WWZ and WWγ) are measured using W-pair, single-W and single-γ productions with the data collected between 1997 and 2000 (700\\ pb-1 per experiment). Neutral current triple gauge boson couplings are studied with Zγ (Zγγ* and ZγZ* vertices) and ZZ (ZZγ* and ZZZ* vertices) events. Limits on anomalous quartic gauge boson couplings with at least one photon (WWγγ, WWZγ and ZZγγ) are set from WWγ, q¯ {q}γ γ and ν ¯ {ν }γ γ events. No strong deviations from the Standard Model expectations are found.

  7. Piecewise-quartics and exponential parameterization for interpolating reduced data

    NASA Astrophysics Data System (ADS)

    Kozera, R.

    2016-06-01

    We examine the asymptotics of a piecewise-quartic Lagrange interpolation used to fit reduced data in arbitrary Euclidean space which are sampled more-or-less uniformly. The unknown interpolation knots are guessed here according to the so-called exponential parameterization which depends on a single parameter λ ∈ [0, 1]. In this work we demonstrate numerically an abrupt discontinuity in the quality of the discussed interpolation scheme yielding a slow linear convergence order for all λ ∈ [0, 1). On the other hand, as well-known the quality of the curve approximation for λ = 1 sharply increases to the fast sharp quartic order which can be further accelerated for special subfamilies of more-or-less uniform samplings.

  8. Neutral triple and quartic gauge couplings at LEP

    NASA Astrophysics Data System (ADS)

    Ofierzynski, R.

    2002-06-01

    The possible existence of neutral triple ZZZ, ZZγ and Zγγ and quartic ZZγγ gauge boson couplings is investigated. Based on data collected at LEP2 at centre-of-mass energies up to 208 GeV no evidence has been found for such couplings. Preliminary limits for neutral triple gauge couplings as obtained from the combination of the LEP experiments are presented.

  9. Meta-Stable Brane Configurations by Quartic Superpotential for Bifundamentals

    NASA Astrophysics Data System (ADS)

    Ahn, Changhyun

    The type IIA nonsupersymmetric meta-stable brane configuration consisting of three NS5-branes, D4-branes and anti-D4-branes where the electric gauge theory superpotential has a quartic term for the bifundamentals besides a mass term is constructed. By adding the orientifold 4-plane and 6-plane to this brane configuration, we also describe the intersecting brane configurations of type IIA string theory corresponding to the meta-stable nonsupersymmetric vacua of corresponding gauge theories.

  10. Spectra, triple, and quartic gauge couplings in a Higgsless model

    SciTech Connect

    Cheung Kingman; Wu Xiaohong; Yan Qishu

    2007-12-01

    Spectra, triple, and quartic gauge couplings of the Higgsless model with gauge group SU(2){sub L}xSU(2){sub R}xU(1){sub B-L} defined in warped space are explored with a numerical method. We extend the equation of motions, boundary conditions, and formalism of multi-gauge-boson vertices to the Hirn-Sanz scenario. By assuming the ideally delocalized fermion profile, we study the spectra of vector bosons as well as the triple and quartic gauge couplings among vector bosons. It is found that mass spectra can be greatly modified by the parameters of QCD power corrections. Meanwhile, the triple and quartic gauge couplings can deviate from the values of the standard model to at least {+-}10% and can saturate the LEP2 bounds. We find the triple gauge couplings of ZWW can be 50% smaller than the unitarity bounds. The triple gauge couplings of ZWW is 20% smaller than the unitarity bounds, which might challenge the detection of Z via s channel at LHC if m{sub Z}>500 GeV.

  11. Accurate production of time-varying patterns of the moment of force in multi-finger tasks

    PubMed Central

    Zhang, Wei; Zatsiorsky, Vladimir M.; Latash, Mark L.

    2010-01-01

    We investigated the production of time profiles of the total moment of force produced in isometric conditions by the four fingers of a hand. We hypothesized that these tasks would be associated with multi-finger synergies stabilizing the time profile of the total moment across trials but not necessarily stabilizing the time profile of the total force produced by the fingers. We also expected the multi-finger synergies to prevent an increase in the moment variability with its magnitude. Seated subjects pressed on force sensors with the four fingers of the right hand and produced two time profiles of the total moment of force, starting from a certain pronation effort, leading to a similar supination effort, and back to the initial pronation effort. One of the profiles was a sequence of straight lines (M-Ramp) while the other was a smooth curve (M-Sine). The subjects showed an increase in the total force during each task. This was accompanied by an increase in the force produced by the fingers opposing the required direction of the total moment—antagonist fingers. Variability of the total force and of the total moment showed complex, non-monotonic changes with the magnitude of the force and moment, respectively. In both tasks, the subjects showed patterns of co-variation of commands to fingers that stabilized the required moment profile over trials. The time profile of the total force was stabilized to a lesser degree or not stabilized at all. The share of fingers with larger moment arms (index finger for pronation efforts and little finger for supination efforts) was higher when the fingers acted to produce moments in a required direction but not necessarily when they acted as antagonists. The results demonstrate the existence of multi-finger synergies stabilizing the combined rotational action. They fit a hypothesis that stabilization of rotational actions may be a default strategy conditioned by everyday experience. The data also suggest that the mechanical

  12. Renormalization group flow of quartic perturbations in graphene: Strong coupling and large- N limits

    NASA Astrophysics Data System (ADS)

    Drut, Joaquín E.; Son, Dam Thanh

    2008-02-01

    We explore the renormalization group flow of quartic perturbations in the low-enegy theory of graphene, in the strong Coulomb coupling and large- N limits, where N is the number of fermion flavors. We compute the anomalous dimensions of the quartic couplings u up to leading order in 1/N and find both relevant and irrelevant directions in the space of quartic couplings. We discuss possible phase diagrams and relevance for the physics of graphene.

  13. 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

  14. 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)

  15. Bar codes and intrinsic-surface-roughness tag: Accurate and low-cost accountability for CFE. [Conventional force equipment (CFE)

    SciTech Connect

    DeVolpi, A.; Palm, R.

    1990-01-01

    CFE poses a number of verification challenges that could be met in part by an accurate and low-cost means of aiding in accountability of treaty-limited equipment. Although the treaty as signed does not explicitly call for the use of tags, there is a provision for recording serial numbers'' and placing special marks'' on equipment subject to reduction. There are approximately 150,000 residual items to be tracked for CFE-I, about half for each alliance of state parties. These highly mobile items are subject to complex treaty limitations: deployment limits and zones, ceilings subceilings, holdings and allowances. There are controls and requirements for storage, conversion, and reduction. In addition, there are national security concerns regarding modernization and mobilization capability. As written into the treaty, a heavy reliance has been placed on human inspectors for CFE verification. Inspectors will mostly make visual observations and photographs as the means of monitoring compliance; these observations can be recorded by handwriting or keyed into a laptop computer. CFE is now less a treaty between two alliances than a treaty among 22 state parties, with inspection data an reports to be shared with each party in the official languages designated by CSCE. One of the potential roles for bar-coded tags would be to provide a universal, exchangable, computer-compatible language for tracking TLE. 10 figs.

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

    PubMed

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

    2016-08-01

    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

  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. 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. PMID:26274140

  19. 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.

  20. Minimal extension of Einstein's theory: The quartic gravity

    NASA Astrophysics Data System (ADS)

    Karasu, Atalay; Kenar, Esin; Tekin, Bayram

    2016-04-01

    We study structure of solutions of the recently constructed minimal extensions of Einstein's gravity in four dimensions at the quartic curvature level. The extended higher derivative theory, just like Einstein's gravity, has only a massless spin-two graviton about its unique maximally symmetric vacuum. The extended theory does not admit the Schwarzschild or Kerr metrics as exact solutions, hence there is no issue of Schwarzschild type singularity but, approximately, outside a source, spherically symmetric metric with the correct Newtonian limit is recovered. We also show that for all Einstein space-times, the square of the Riemann tensor (the Kretschmann scalar or the Gauss-Bonnet invariant) obeys a nonlinear scalar Klein-Gordon equation.

  1. An efficient algorithm for computing the roots of general quadratic, cubic and quartic equations

    NASA Astrophysics Data System (ADS)

    Mahmood, Munir; Hammad, Sali; Mahmood, Ibtihal

    2014-10-01

    While the solution to deriving the roots of the general quadratic equation is adequately covered in a typical classroom environment, the same is not true for the general cubic and quartic equations. To the best of our knowledge, we do not see the roots of the general cubic or quartic equation discussed in any typical algebra textbook at the undergraduate level. In this paper, we propose an efficient algorithm in order to calculate the roots of the general quadratic, cubic and quartic equations. Examples are given to demonstrate the usefulness of this proposed algorithm.

  2. Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field

    PubMed Central

    Baker, Christopher M.; Lopes, Pedro E. M.; Zhu, Xiao; Roux, Benoît; MacKerell, Alexander D.

    2010-01-01

    Lennard-Jones (LJ) parameters for a variety of model compounds have previously been optimized within the CHARMM Drude polarizable force field to reproduce accurately pure liquid phase thermodynamic properties as well as additional target data. While the polarizable force field resulting from this optimization procedure has been shown to satisfactorily reproduce a wide range of experimental reference data across numerous series of small molecules, a slight but systematic overestimate of the hydration free energies has also been noted. Here, the reproduction of experimental hydration free energies is greatly improved by the introduction of pair-specific LJ parameters between solute heavy atoms and water oxygen atoms that override the standard LJ parameters obtained from combining rules. The changes are small and a systematic protocol is developed for the optimization of pair-specific LJ parameters and applied to the development of pair-specific LJ parameters for alkanes, alcohols and ethers. The resulting parameters not only yield hydration free energies in good agreement with experimental values, but also provide a framework upon which other pair-specific LJ parameters can be added as new compounds are parametrized within the CHARMM Drude polarizable force field. Detailed analysis of the contributions to the hydration free energies reveals that the dispersion interaction is the main source of the systematic errors in the hydration free energies. This information suggests that the systematic error may result from problems with the LJ combining rules and is combined with analysis of the pair-specific LJ parameters obtained in this work to identify a preliminary improved combining rule. PMID:20401166

  3. Quality improvement of partially coherent symmetric-intensity beams caused by quartic phase distortions.

    PubMed

    Martínez-Herrero, R; Mejías, P M; Piquero, G

    1992-12-01

    The effects that quartic phase distortions produce in the beam-quality parameter of partially coherent symmetric-intensitybeams are studied. An analytical expression for the beam-quality parameter at the output plane of a pure phase plate with quartic phase aberration has been derived. Explicit conditions to improve the beam quality are provided, and the corresponding optimized beam-quality value that can be attained for a given field has been determined. PMID:19798272

  4. A fourth-order accurate curvature computation in a level set framework for two-phase flows subjected to surface tension forces

    NASA Astrophysics Data System (ADS)

    Coquerelle, Mathieu; Glockner, Stéphane

    2016-01-01

    We propose an accurate and robust fourth-order curvature extension algorithm in a level set framework for the transport of the interface. The method is based on the Continuum Surface Force approach, and is shown to efficiently calculate surface tension forces for two-phase flows. In this framework, the accuracy of the algorithms mostly relies on the precise computation of the surface curvature which we propose to accomplish using a two-step algorithm: first by computing a reliable fourth-order curvature estimation from the level set function, and second by extending this curvature rigorously in the vicinity of the surface, following the Closest Point principle. The algorithm is easy to implement and to integrate into existing solvers, and can easily be extended to 3D. We propose a detailed analysis of the geometrical and numerical criteria responsible for the appearance of spurious currents, a well known phenomenon observed in various numerical frameworks. We study the effectiveness of this novel numerical method on state-of-the-art test cases showing that the resulting curvature estimate significantly reduces parasitic currents. In addition, the proposed approach converges to fourth-order regarding spatial discretization, which is two orders of magnitude better than algorithms currently available. We also show the necessity for high-order transport methods for the surface by studying the case of the 2D advection of a column at equilibrium thereby proving the robustness of the proposed approach. The algorithm is further validated on more complex test cases such as a rising bubble.

  5. 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.

  6. 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. PMID:26183389

  7. Cubic and Quartic Higgs Couplings of Higgs Potentials and CP Phases

    NASA Astrophysics Data System (ADS)

    Song, You; Yan, Qi-Shu; Zhao, Xiao-Ran

    2016-06-01

    We derive cubic and quartic couplings of the Higgs singlet extension of the SM and the two Higgs doublet model. We also examine the number of CP violated couplings in a model with n Higgs doublet model and a model with ns Higgs singlets and nd Higgs doublets. We conclude that in order to reconstruct the Higgs potential with multi Higgs fields at the LHC and future colliders, to detect the cubic/quartic couplings is necessary. Supported by the Natural Science Foundation of China under Grant Nos. 11175251 and 11575005

  8. On a class of integrable systems with a quartic first integral

    NASA Astrophysics Data System (ADS)

    Valent, Galliano

    2013-07-01

    We generalize, to some extent, the results on integrable geodesic flows on two dimensional manifolds with a quartic first integral in the framework laid down by Selivanova and Hadeler. The local structure is first determined by a direct integration of the differential system which expresses the conservation of the quartic observable and is seen to involve a finite number of parameters. The global structure is studied in some detail and leads to a class of models on the manifolds {ie394-1}2, ℍ2 or ℝ2. As special cases we recover Kovalevskaya's integrable system and a generalization of it due to Goryachev.

  9. A refined quartic potential energy surface and large scale vibrational calculations for S0 thiophosgene.

    PubMed

    Rashev, Svetoslav; Moule, David C

    2015-04-01

    In this work we present a full 6D quartic potential energy surface (PES) for S0 thiophosgene in curvilinear symmetrized bond-angle coordinates. The PES was refined starting from an ab initio field derived from acc-pVTZ basis set with CCSD(T) corrections for electron correlation. In the present calculations we used our variational method that was recently tested on formaldehyde and some of its isotopomers, along with additional improvements. The lower experimentally known vibrational levels for 35Cl2CS were reproduced quite well in the calculations, which can be regarded as a test for the feasibility of the obtained quartic PES. PMID:25615683

  10. 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.

  11. 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.

  12. Breakup of shearless invariant tori in cubic and quartic nontwist maps

    NASA Astrophysics Data System (ADS)

    Wurm, A.; Fuchss Portela, K.

    2012-05-01

    The effect of symmetry on invariant torus breakup in nontwist maps is investigated. In particular, the breakup of shearless invariant tori with winding number ω=(√{5}-1)/2 (inverse golden mean) and ω=√{2}-1 (an inverse silver mean) is studied numerically using Greene's residue criterion in a cubic and a quartic nontwist map. The details of the breakup are compared to those previously obtained for the standard nontwist map, which has the same particular spatial symmetry as the quartic map. The cubic map lacks this symmetry. The results show that if the symmetry exists, the details of the breakup are the same as in the standard nontwist map. If the symmetry does not exist, the breakup is shown to be different.

  13. Analysis of laser beam quality degradation caused by quartic phase aberrations.

    PubMed

    Siegman, A E

    1993-10-20

    Simple formulas are derived for the degradation in the beam-quality factor, M(2), of an arbitrary laser beam caused by quartic phase distortions such as those that might occur in a spherically aberrated optical component, a thermally aberrated laser output window, or a divergent beam emerging from a high-index dielectric medium as in a wide-stripe, unstable-resonator diode laser. A new formula for the defocus correction that is needed to collimate optimally a beam with quartic phase aberration is also derived. Analytical results and numerical examples are given for both radially aberrated and one-dimensionaltransversely aberrated cases, and a simple experimental measurement of the beam-quality degradation produced by a thin plano-convex lens is shown to be in good agreement with the theory. PMID:20856411

  14. Probing anomalous quartic couplings in e{gamma} and {gamma}{gamma} colliders

    SciTech Connect

    Eboli, O. J. P.; Mizukoshi, J. K.

    2001-10-01

    We analyze the potential of the e{sup +}e{sup -} linear colliders, operating in the e{gamma} and {gamma}{gamma} modes, to probe anomalous quartic vector-boson interactions through the multiple production of W's and Z's. We examine all SU(2){sub L}(circle times)U(1){sub Y} chiral operators of order p{sup 4} that lead to new four-gauge-boson interactions but do not alter trilinear vertices. We show that the e{gamma} and {gamma}{gamma} modes are able not only to establish the existence of a strongly interacting symmetry breaking sector but also to probe for anomalous quartic couplings of the order of 10{sup -2} at 90% C.L. Moreover, the information gathered in the e{gamma} mode can be used to reduce the ambiguities of the e{sup +}e{sup -} mode.

  15. Beam quality changes of radially and azimuthally polarized fields propagating through quartic phase plates

    NASA Astrophysics Data System (ADS)

    Martínez-Herrero, R.; Piquero, G.; Mejías, P. M.

    2008-02-01

    In terms of the so-called irradiance moments of a light field, the beam quality change, Δ Q, of radially and azimuthally polarized beams caused by propagation through a quartic phase plate (as occurs, for example, in strongly pumped laser rods used in high-power solid-state lasers) is studied. Analytical expressions for Δ Q are given, and a comparison between the scalar and vectorial regimes is also shown. The results are applied to several cases of interest.

  16. 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.

  17. Quartic AdS interactions in higher-spin gravity from Conformal Field Theory

    NASA Astrophysics Data System (ADS)

    Bekaert, X.; Erdmenger, J.; Ponomarev, D.; Sleight, C.

    2015-11-01

    Clarifying the locality properties of higher-spin gravity is a pressing task, but notoriously difficult due to the absence of a weakly-coupled flat regime. The simplest non-trivial case where this question can be addressed is the quartic self-interaction of the AdS scalar field present in the higher-spin multiplet. We investigate this issue in the context of the holographic duality between the minimal bosonic higher-spin theory on AdS4 and the free O( N) vector model in three dimensions. In particular, we determine the exact explicit form of the derivative expansion of the bulk scalar quartic vertex. The quartic vertex is obtained from the field theory four-point function of the operator dual to the bulk scalar, by making use of our previous results for the Witten diagrams of higher-spin exchanges. This is facilitated by establishing the conformal block expansions of both the boundary four-point function and the dual bulk Witten diagram amplitudes. We show that the vertex we find satisfies a generalised notion of locality.

  18. Analytical Characterization of Scalar-Field Oscillons in Quartic Potentials

    NASA Astrophysics Data System (ADS)

    Sicilia, David Pasquale

    In this thesis I present a series of simple models of scalar field oscillons which allow estimation of the basic properties of oscillons using nonperturbative analytical methods, with minimal dependence on computer simulation. The methods are applied to oscillons in phi^4 Klein-Gordon models in two and three spatialdimensions, yielding results with good accuracy in the characterization of most aspects of oscillon dynamics. In particular, I show how oscillons can be interpreted as long-lived perturbations about an attractor in field configuration space. By investigating their radiation rate as they approach the attractor, I obtain an accurate estimate of their lifetimes in d=3 and explain why they seem to be perturbatively stable in d=2, where d is the number of spatial dimensions. I also present some preliminary work on a method to calculate the form of the spatial profile of the oscillon.

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

    NASA Astrophysics Data System (ADS)

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

    2009-04-01

    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 (ψt,θ,φ) coordinates exists [A. Punjabi, H. Ali, T. Evans, and A. Boozer, Phys. Lett. A 364, 140 (2007)]. ψt is toroidal magnetic flux, θ is poloidal angle, and φ 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 κ 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 κ is calculated. The symmetric quartic map gives the correct scalings which are consistent with the scalings of coordinates with κ. 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 κ. The area of the footprint is roughly constant. The average radial diffusion coefficient of field lines near the X-point scales linearly with κ. 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 carrying coil. The coil position and coil current coil are

  20. 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. PMID:11902865

  1. The computation of pi to 29,360,000 decimal digits using Borweins' quartically convergent algorithm

    NASA Technical Reports Server (NTRS)

    Bailey, David H.

    1988-01-01

    The quartically convergent numerical algorithm developed by Borwein and Borwein (1987) for 1/pi is implemented via a prime-modulus-transform multiprecision technique on the NASA Ames Cray-2 supercomputer to compute the first 2.936 x 10 to the 7th digits of the decimal expansion of pi. The history of pi computations is briefly recalled; the most recent algorithms are characterized; the implementation procedures are described; and samples of the output listing are presented. Statistical analyses show that the present decimal expansion is completely random, with only acceptable numbers of long repeating strings and single-digit runs.

  2. The Renormalization Group Running of the Higgs Quartic Coupling: Unification vs. Phenomenology

    SciTech Connect

    Montes de Oca Y, J. H.; Juarez W, S. R.; Kielanowski, P.

    2007-02-09

    Within the framework of the standard model (SM) of elementary particles, we obtained numerical solutions for the running Higgs mass, considering the renormalization group equations at the one and two loop approximation. Through the triviality condition (TC) and stability condition (SC) on the Higgs quartic coupling {lambda}H the bounds on the Higgs running mass have been fixed. The numerical results are presented for two special cases. One considering an unification of the three gauge couplings at the energy EU 1013 GeV and the other using the current experimental data for the gauge couplings.

  3. Quartic gauge boson couplings at linear colliders. Interplay of WWZ/ZZZ production and WW-fusion

    NASA Astrophysics Data System (ADS)

    Han, Tao; He, Hong-Jian; Yuan, C.-P.

    1998-03-01

    We study new physics effects to the quartic gauge boson couplings formulated by the electroweak chiral Lagrangian. Five next-to-leading order operators characterize the anomalous quartic gauge interactions which involve pure Goldstone boson dynamics for the electroweak symmetry breaking. We estimate the typical size of these couplings in different strongly-interacting models and examine the sensitivity to directly probing them via the WWZ/ZZZ triple gauge boson production at the high energy linear colliders. The important roles of polarized e- and e+ beams are stressed. We then compare the results with those from the W-pair production of the WW-fusion processes, and analyze the interplay of these two production mechanisms for an improved probe of the quartic gauge boson interactions.

  4. Probing quartic couplings through three gauge boson production at an e{sup +}e{sup {minus}} linear collider

    SciTech Connect

    Dawson, S.; Likhoded, A.; Valencia, G.; Yushchenko, O.

    1996-11-22

    We explore the capability of a 500 or 1000 GeV e{sup +} e{sup {minus}} linear collider to measure anomalous quartic gauge boson couplings. In the framework of a non-linear effective Lagrangian with a custodial SU(2) symmetry, there are only two next-to-leading order operators which contribute to quartic, but not to two- and three-gauge boson interactions. The limits on the coefficients of these operators from present and future e{sup +} e{sup {minus}} colliders are compared with those available from other sources.

  5. 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.

  6. New integrable systems with a quartic integral and new generalizations of Kovalevskaya's and Goriatchev's cases

    NASA Astrophysics Data System (ADS)

    Yehia, H. M.; Elmandouh, A. A.

    2008-02-01

    In his paper [1], one of us has introduced a method for constructing integrable conservative two-dimensional mechanical systems, on Riemannian 2D spaces, whose second integral is a polynomial in the velocities. This method was applied successfully in [2] to construction of systems admitting a cubic integral and in [3, 4] and [5] to cases of a quartic integral. The present work is devoted to construction of new integrable systems with a quartic integral. The potential is assumed to have the structure [Equation not available: see fulltext.] This is inspired by the structure of potential in the famous generalization of Kovalevskaya's case in rigid body dynamics introduced by Goriatchev. The resulting differential equations were completely solved only for time reversible systems. A 10-parameter family of systems of the searched type is obtained. Four parameters determine the structure of the line element of the configuration manifold and the others contribute only to the potential function. In the case of time-irreversible systems the governing equations were solved in the three cases when the metric is identical to that of reduced rigid body motion. Those lead to three new several-parameter generalizations of known cases, including the classical cases of Kovalevskaya, Chaplygin and Goriatchev.

  7. 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)

  8. An estimation of p-adic sizes of common zeros of partial derivative polynomials associated with a quartic form

    NASA Astrophysics Data System (ADS)

    Keat, Yap Hong; Atan, Kamel Ariffin Mohd; Sapar, Siti Hasana; Said, Mohamad Rushdan Md

    2014-07-01

    In this paper we apply Newton polyhedron technique in estimating the p-adic sizes of common zeros of partial derivative polynomial associated with a quartic polynomial. It is found that the p-adic sizes of a common zeros can be determined explicitly in terms of the p-adic orders of coefficients of dominant terms of polynomial.

  9. Quartic - a Precise Time-Of Counter for the Atlas Forward Physics Project

    NASA Astrophysics Data System (ADS)

    Pinfold, James L.

    2010-04-01

    Precise ToF counters are employed by AFP to reduce pile-up background in the forward proton spectrometers. It is expected that at the highest LHC luminosity up to ~35 interactions occur at the same bunch crossing in ATLAS. A precision of the order of few mm (~10 ps) or better is required to adequately distinguish the vertex of interest - from which the unbroken scattered protons originate - from other pile-up vertices, with good efficiency. The development and testing of the QUARTIC precision ToF detector and its readout is described. This detector utilizes fused-silica radiators readout by Micro-Channel Plates Photomultipliers. The frontend readout electronics is based on the High Precision Time to Digital Converter (HPTDC).

  10. Effect of classical bifurcations on the quantum entanglement of two coupled quartic oscillators.

    PubMed

    Santhanam, M S; Sheorey, V B; Lakshminarayan, Arul

    2008-02-01

    We study entanglement in a system comprising two coupled quartic oscillators. It is shown that the entanglement, as measured by the von Neumann entropy, increases with the classical chaos parameter for generic chaotic eigenstates. We consider certain isolated periodic orbits whose bifurcation sequence affects a class of strongly scarred quantum eigenstates, called the channel localized states. For these states, the entanglement is a local minima in the vicinity of a pitchfork bifurcation but is a local maxima near an antipitchfork bifurcation. We place these results in the context of the close connections that may exist between entanglement measures and conventional measures of localization. We also point to an interesting near degeneracy that arises in the spectrum of reduced density matrices of certain states as an interplay between localization and symmetry. PMID:18352109

  11. The master integrable two-dimensional system with a quartic second integral

    NASA Astrophysics Data System (ADS)

    Yehia, H. M.

    2006-05-01

    In this paper we construct a new integrable natural conservative mechanical system admitting a second invariant of the fourth degree in velocities. This system is quite general and involves 21 parameters. We also show that all systems with a quartic integral known up to date can be obtained from it as special cases by a relevant choice of the values of parameters. The results are applied to problems of particle and rigid body dynamics. New integrable cases are obtained as special versions of the new system. These cases include motions in a plane, Lobachevsky plane, sphere and surfaces of variable curvature. They also include generalizations of the classical cases of Kovalevskaya, Chaplygin and Goriatchev with the addition of certain singular terms to the potential.

  12. 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.

  13. Analysis of anomalous quartic WWZγ couplings in γp collision at the LHC

    NASA Astrophysics Data System (ADS)

    Senol, A.; Köksal, M.

    2015-03-01

    Gauge boson self-couplings are exactly determined by the non-Abelian gauge nature of the Standard Model (SM), thus precision measurements of these couplings at the LHC provide an important opportunity to test the gauge structure of the SM and the spontaneous symmetry breaking mechanism. It is a common way to examine the physics of anomalous quartic gauge boson couplings via effective Lagrangian method. In this work, we investigate the potential of the process pp → pγp → pWZqX to analyze anomalous quartic WWZγ couplings by two different, CP-violating and CP-conserving, effective Lagrangians at the LHC. We calculate 95% confidence level limits on the anomalous coupling parameters with various values of the integrated luminosity. Our numerical results show that the best limits obtained on the anomalous couplings k0W/Λ2, kcW/Λ2, k2m/Λ2 and an/Λ2 at √{ s} = 14 TeV and an integrated luminosity of Lint = 100 fb-1 are [ - 1.37 ; 1.37 ] ×10-6 GeV-2, [ - 1.88 ; 1.88 ] ×10-6 GeV-2, [ - 6.55 ; 6.55 ] ×10-7 GeV-2 and [ - 2.21 ; 2.21 ] ×10-6 GeV-2, respectively. Thus, γp mode of photon-induced reactions at the LHC highly improves the sensitivity limits of the anomalous coupling parameters k0W/Λ2, kcW/Λ2, k2m/Λ2 and an/Λ2.

  14. 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.

  15. Empirical anharmonic force field and equilibrium structure of hypochlorous acid, HOCl

    NASA Astrophysics Data System (ADS)

    Escribano, R. M.; Di Lonardo, G.; Fusina, L.

    1996-09-01

    The cubic and quartic force fields of HOCl are investigated on the basis of the most recent experimental data on vibration-rotation interaction constants and anharmonicity constants. Some discrepancies with respect to previously reported ab initio results are found and discussed. The geometrical parameters of this molecule are also evaluated from recent data on the equilibrium values of the moments of inertia.

  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. The harmonic force field and rz structure of HNCO

    NASA Astrophysics Data System (ADS)

    Fusina, Luciano; Mills, Ian M.

    1981-04-01

    The presently available microwave, millimeter wave, and far-infrared data of five isotopic species of isocyanic acid, namely, HNCO, H 15NCO, HN 13CO, HNC 18O, and DNCO, have been used to obtain improved values of the ground-state rotational constants, the five quartic distortion constants, and some higher-order distortion constants in the IrS reduced Hamiltonian of Watson. The appropriate planarity relation among the quartic centrifugal distortion constants has been imposed in the fitting procedure. The general harmonic force field of isocyanic acid has been determined using all existing data, and assuming a trans bent equilibrium geometry of the molecule with an NCO angle of 170°. Finally an rz structure has been obtained using the Az, Bz, and Cz rotational constants of five isotopic species. The bending of the NCO chain is found to be 8° in the trans configuration.

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

    PubMed

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

    2016-07-01

    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. PMID:27085293

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    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.

  20. An explicit estimation of p-adic sizes of common zeros of partial derivative polynomials associated with a complete quartic form

    NASA Astrophysics Data System (ADS)

    Keat, Yap Hong; Atan, Kamel Ariffin Mohd; Sapar, Siti Hasana; Said, Mohamad Rushdan Md

    2015-10-01

    In this paper we obtain an estimation of p-adic sizes of common zeros of partial derivative polynomials associated with a complete quartic polynomial by applying the Newton polyhedron technique. Such estimates are obtained by examining indicator diagrams associated with the Newton polyhedra of partial derivatives polynomials considered and applying new conditions to improve the results of earlier researchers.

  1. Accurate thickness measurement of graphene

    NASA Astrophysics Data System (ADS)

    Shearer, Cameron J.; Slattery, Ashley D.; Stapleton, Andrew J.; Shapter, Joseph G.; Gibson, Christopher T.

    2016-03-01

    Graphene has emerged as a material with a vast variety of applications. The electronic, optical and mechanical properties of graphene are strongly influenced by the number of layers present in a sample. As a result, the dimensional characterization of graphene films is crucial, especially with the continued development of new synthesis methods and applications. A number of techniques exist to determine the thickness of graphene films including optical contrast, Raman scattering and scanning probe microscopy techniques. Atomic force microscopy (AFM), in particular, is used extensively since it provides three-dimensional images that enable the measurement of the lateral dimensions of graphene films as well as the thickness, and by extension the number of layers present. However, in the literature AFM has proven to be inaccurate with a wide range of measured values for single layer graphene thickness reported (between 0.4 and 1.7 nm). This discrepancy has been attributed to tip-surface interactions, image feedback settings and surface chemistry. In this work, we use standard and carbon nanotube modified AFM probes and a relatively new AFM imaging mode known as PeakForce tapping mode to establish a protocol that will allow users to accurately determine the thickness of graphene films. In particular, the error in measuring the first layer is reduced from 0.1-1.3 nm to 0.1-0.3 nm. Furthermore, in the process we establish that the graphene-substrate adsorbate layer and imaging force, in particular the pressure the tip exerts on the surface, are crucial components in the accurate measurement of graphene using AFM. These findings can be applied to other 2D materials.

  2. 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.

  3. A Fluctuation Analysis at the Classical Limit for the Expectation Dynamics of a Single Quartic Quantum Anharmonic Oscillator

    SciTech Connect

    Ayvaz, Muzaffer; Demiralp, Metin

    2010-09-30

    The definition of the fluctuation terms in the matrix representations of operators, especially function operators, brings a lot of facilitations to the numerical analysis of matrix representation issues. This work considers a one-dimensional quantum oscillator with purely quartic anharmonicity and focuses on its position and momentum expectations. By using certain level commutator operation it is possible to get two ODEs as equations of motion, which are in classical nature when the fluctuation terms are omitted. To understand how fluctuation terms affect expectation dynamical analysis we add extra temporal unknowns and construct extra ODEs over them. There seem to be an infinite ODEs chain for fluctuation altough their truncations seem to be utilizable as approximations. Here basic theory is summarized. Further details will be prasented at the conference presentation.

  4. 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.

  5. Grading More Accurately

    ERIC Educational Resources Information Center

    Rom, Mark Carl

    2011-01-01

    Grades matter. College grading systems, however, are often ad hoc and prone to mistakes. This essay focuses on one factor that contributes to high-quality grading systems: grading accuracy (or "efficiency"). I proceed in several steps. First, I discuss the elements of "efficient" (i.e., accurate) grading. Next, I present analytical results…

  6. 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.

  7. 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.

  8. 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.

  9. Search for anomalous quartic WWγγ couplings in dielectron and missing energy final states in pp¯ collisions at s=1.96TeV

    NASA Astrophysics Data System (ADS)

    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.; Zielinski, M.; Zieminska, D.; Zivkovic, L.

    2013-07-01

    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 9.7fb-1 of integrated luminosity collected by the D0 detector in pp¯ collisions at s=1.96TeV. 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 a0W and aCW. When a form factor with Λcutoff=0.5TeV is used, the observed upper limits at 95% C.L. are |a0W/Λ2|<0.0025GeV-2 and |aCW/Λ2|<0.0092GeV-2.

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

    PubMed

    Müller; Sørensen; Birk; Friedl

    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 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. Copyright 1997 Academic Press. Copyright 1997Academic Press PMID:9417962

  11. Accurate measurement of time

    NASA Astrophysics Data System (ADS)

    Itano, Wayne M.; Ramsey, Norman F.

    1993-07-01

    The paper discusses current methods for accurate measurements of time by conventional atomic clocks, with particular attention given to the principles of operation of atomic-beam frequency standards, atomic hydrogen masers, and atomic fountain and to the potential use of strings of trapped mercury ions as a time device more stable than conventional atomic clocks. The areas of application of the ultraprecise and ultrastable time-measuring devices that tax the capacity of modern atomic clocks include radio astronomy and tests of relativity. The paper also discusses practical applications of ultraprecise clocks, such as navigation of space vehicles and pinpointing the exact position of ships and other objects on earth using the GPS.

  12. 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.

  13. 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

    2015-03-01

    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. PMID:25296165

  14. On Hamiltonian systems in two degrees of freedom with invariants quartic in the momenta of form p21p22ṡṡṡ

    NASA Astrophysics Data System (ADS)

    Evans, N. W.

    1990-03-01

    A search is made for autonomous Hamiltonian systems in two degrees of freedom which admit a second invariant quartic in the momenta with leading term p21p22/ 2. A sufficient condition for the resulting functional equation to possess solutions is deduced and a family of integrable systems is identified, which under the equivalence class of linear transformations reduce to a simpler integrable system found originally by Bozis. The method of Lax pairs is used to find further solutions to the functional equation and give new classes of integrable but nonseparable Hamiltonians.

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

    DOE PAGESBeta

    Aad, G.; Abbott, B.; Abdallah, J.; Abdel Khalek, S.; Abdinov, O.; Aben, R.; Abi, B.; Abolins, M.; AbouZeid, O. S.; Abramowicz, H.; et al

    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.

  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 PAGESBeta

    Aad, G.; Abbott, B.; Abdallah, J.; Abdel Khalek, S.; Abdinov, O.; Aben, R.; Abi, B.; Abolins, M.; AbouZeid, O. S.; Abramowicz, H.; et al

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

    DOE PAGESBeta

    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, 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

  18. 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.

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

    PubMed

    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

    2016-08-28

    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. PMID:27586928

  20. An efficient and numerically stable procedure for generating sextic force fields in normal mode coordinates.

    PubMed

    Sibaev, M; Crittenden, D L

    2016-06-01

    In this paper, we outline a general, scalable, and black-box approach for calculating high-order strongly coupled force fields in rectilinear normal mode coordinates, based upon constructing low order expansions in curvilinear coordinates with naturally limited mode-mode coupling, and then transforming between coordinate sets analytically. The optimal balance between accuracy and efficiency is achieved by transforming from 3 mode representation quartic force fields in curvilinear normal mode coordinates to 4 mode representation sextic force fields in rectilinear normal modes. Using this reduced mode-representation strategy introduces an error of only 1 cm(-1) in fundamental frequencies, on average, across a sizable test set of molecules. We demonstrate that if it is feasible to generate an initial semi-quartic force field in curvilinear normal mode coordinates from ab initio data, then the subsequent coordinate transformation procedure will be relatively fast with modest memory demands. This procedure facilitates solving the nuclear vibrational problem, as all required integrals can be evaluated analytically. Our coordinate transformation code is implemented within the extensible PyPES library program package, at http://sourceforge.net/projects/pypes-lib-ext/. PMID:27276945

  1. 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(+). PMID:26133410

  2. NNLOPS accurate associated HW production

    NASA Astrophysics Data System (ADS)

    Astill, William; Bizon, Wojciech; Re, Emanuele; Zanderighi, Giulia

    2016-06-01

    We present a next-to-next-to-leading order accurate description of associated HW production consistently matched to a parton shower. The method is based on reweighting events obtained with the HW plus one jet NLO accurate calculation implemented in POWHEG, extended with the MiNLO procedure, to reproduce NNLO accurate Born distributions. Since the Born kinematics is more complex than the cases treated before, we use a parametrization of the Collins-Soper angles to reduce the number of variables required for the reweighting. We present phenomenological results at 13 TeV, with cuts suggested by the Higgs Cross section Working Group.

  3. How to accurately bypass damage

    PubMed Central

    Broyde, Suse; Patel, Dinshaw J.

    2016-01-01

    Ultraviolet radiation can cause cancer through DNA damage — specifically, by linking adjacent thymine bases. Crystal structures show how the enzyme DNA polymerase η accurately bypasses such lesions, offering protection. PMID:20577203

  4. Accurate Evaluation of Quantum Integrals

    NASA Technical Reports Server (NTRS)

    Galant, David C.; Goorvitch, D.

    1994-01-01

    Combining an appropriate finite difference method with Richardson's extrapolation results in a simple, highly accurate numerical method for solving a Schr\\"{o}dinger'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.

  5. 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.

  6. Nuclear forces

    SciTech Connect

    Machleidt, R.

    2013-06-10

    These lectures present an introduction into the theory of nuclear forces. We focus mainly on the modern approach, in which the forces between nucleons emerge from low-energy QCD via chiral effective field theory.

  7. 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…

  8. Accurate numerical solutions of conservative nonlinear oscillators

    NASA Astrophysics Data System (ADS)

    Khan, Najeeb Alam; Nasir Uddin, Khan; Nadeem Alam, Khan

    2014-12-01

    The objective of this paper is to present an investigation to analyze the vibration of a conservative nonlinear oscillator in the form u" + lambda u + u^(2n-1) + (1 + epsilon^2 u^(4m))^(1/2) = 0 for any arbitrary power of n and m. This method converts the differential equation to sets of algebraic equations and solve numerically. We have presented for three different cases: a higher order Duffing equation, an equation with irrational restoring force and a plasma physics equation. It is also found that the method is valid for any arbitrary order of n and m. Comparisons have been made with the results found in the literature the method gives accurate results.

  9. 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.

  10. 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.

  11. The importance of accurate atmospheric modeling

    NASA Astrophysics Data System (ADS)

    Payne, Dylan; Schroeder, John; Liang, Pang

    2014-11-01

    This paper will focus on the effect of atmospheric conditions on EO sensor performance using computer models. We have shown the importance of accurately modeling atmospheric effects for predicting the performance of an EO sensor. A simple example will demonstrated how real conditions for several sites in China will significantly impact on image correction, hyperspectral imaging, and remote sensing. The current state-of-the-art model for computing atmospheric transmission and radiance is, MODTRAN® 5, developed by the US Air Force Research Laboratory and Spectral Science, Inc. Research by the US Air Force, Navy and Army resulted in the public release of LOWTRAN 2 in the early 1970's. Subsequent releases of LOWTRAN and MODTRAN® have continued until the present. Please verify that (1) all pages are present, (2) all figures are correct, (3) all fonts and special characters are correct, and (4) all text and figures fit within the red margin lines shown on this review document. Complete formatting information is available at http://SPIE.org/manuscripts Return to the Manage Active Submissions page at http://spie.org/submissions/tasks.aspx and approve or disapprove this submission. Your manuscript will not be published without this approval. Please contact author_help@spie.org with any questions or concerns. The paper will demonstrate the importance of using validated models and local measured meteorological, atmospheric and aerosol conditions to accurately simulate the atmospheric transmission and radiance. Frequently default conditions are used which can produce errors of as much as 75% in these values. This can have significant impact on remote sensing applications.

  12. Anharmonic force field, vibrational energies, and barrier to inversion of SiH{sub 3}{sup -}

    SciTech Connect

    Aarset, Kirsten; Csaszar, Attila G.; Sibert, Edwin L. III; Allen, Wesley D.; Schaefer, Henry F. III; Klopper, Wim; Theoretical Chemistry Group, Debye Institute, Utrecht University, Padualaan 14, NL-3584 CH Utrecht, The Netherlands ; Noga, Jozef

    2000-03-01

    The full quartic force field of the ground electronic state of the silyl anion (SiH{sub 3}{sup -}) has been determined at the CCSD(T)-R12 level employing a [Si/H]=[16s11p6d5f/7s5p4d] basis set. The vibrational energy levels, using the quartic force field as a representation of the potential energy hypersurface around equilibrium, have been determined by vibrational perturbation theory carried out to second, fourth, and sixth order. The undetected vibrational fundamental for the umbrella mode, {nu}{sub 2}, is predicted to be 844 cm-1. High-quality ab initio quantum chemical methods, including higher-order coupled cluster (CC) and many-body perturbation (MP) theory with basis sets ranging from [Si/H] [5s4p2d/3s2p] to [8s7p6d5f4g3h/7s6p5d4f3g] have been employed to obtain the best possible value for the inversion barrier of the silyl anion. The rarely quantified effects of one- and two-particle relativistic terms, core correlation, and the diagonal Born-Oppenheimer correction (DBOC) have been included in the determination of the barrier for this model system. The final electronic (vibrationless) extrapolated barrier height of this study is 8351{+-}100 cm{sup -1}. (c) 2000 American Institute of Physics.

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

    NASA Astrophysics Data System (ADS)

    Liu, Qiang; Liu, Huan; Yuan, Songmei

    2016-06-01

    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.

  14. Accurate rest-frequencies of ketenimine (CH2CNH) at submillimetre wavelength

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

    Context. Imine compounds are thought to have a role in the interstellar formation of complex organic species, including pre-biotic molecules. Ketenimine (CH2CNH) is one of the four imines discovered in space. It was identified in Sgr B2(N-LMH) through the detection of three rotational lines in absorption. Aims: We present an extensive laboratory study of the ground-state rotational spectrum of CH2CNH at submillimetre wavelengths, aimed at obtaining accurate rest-frequencies for radio-astronomical searches. Methods: The investigation was carried out using a source-modulation microwave spectrometer equipped with a cell that is coupled to a pyrolysis apparatus working at 1000°. The spectrum was recorded in the frequency range 80-620 GHz with the detection of 150 transitions. Results: The newly measured transition frequencies were analysed with previously available microwave and far-infrared data, yielding accurate rotational constants of CH2CNH, the complete sets of quartic and sextic centrifugal distortion constants, and three octic constants. Several transitions exhibit a hyperfine structure due to the quadrupole and spin-rotation couplings of the 14N nucleus, which were accounted for in the analysis. Conclusions: The determined spectroscopic constants allowed for the computation of a list of highly accurate rest-frequencies for astrophysical purposes in the submillimetre and THz region with 1σ uncertainties that are lower than 0.1 km s-1 in radial equivalent velocity. Full Tables 1 and 3 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/565/A66

  15. 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…

  16. One Force

    NASA Astrophysics Data System (ADS)

    Kotas, Ronald R.

    2002-04-01

    There is only one entity that can extend force and couple through space; and it should be apparent that Electromagnetism is that entity. In the cases of the nuclear strong force and the nuclear weak force, this is the same fundamental Electromagnetism manifesting itself in two different ways in the nucleus. It remains the same basic Electromagnetism. On the other hand, General Relativity fails to produce force at a distance, fails the Cavendish experiment, and does not allow an apple to fall to the ground. The result shows there is only Electromagnetism that functions through physical nature providing gravity, actions in the nucleus, as well as all other physical actions universally, including Gravity and Gravitation. There are many direct proofs of this, the same proofs as in NUCLEAR QUANTUM GRAVITATION. In contrast, General Relativity plainly relies on fallacy abstract and incoherent proofs; proofs which have now been mostly disproved. In the past it was deemed necessary by some to have an "ether" to propagate Electromagnetic waves. The fallacy concept of time space needs "space distortions" in order to cause gravity. However, Electromagnetic gravity does not have this problem. Clearly there is only ONE FORCE that causes Gravity, Electromagnetism, the Nuclear Strong Force, and the Nuclear Weak Force, and that ONE FORCE is Electromagnetism.

  17. Calibration of lateral force measurements in atomic force microscopy with a piezoresistive force sensor

    SciTech Connect

    Xie Hui; Vitard, Julien; Haliyo, Sinan; Regnier, Stephane

    2008-03-15

    We present here a method to calibrate the lateral force in the atomic force microscope. This method makes use of an accurately calibrated force sensor composed of a tipless piezoresistive cantilever and corresponding signal amplifying and processing electronics. Two ways of force loading with different loading points were compared by scanning the top and side edges of the piezoresistive cantilever. Conversion factors between the lateral force and photodiode signal using three types of atomic force microscope cantilevers with rectangular geometries (normal spring constants from 0.092 to 1.24 N/m and lateral stiffness from 10.34 to 101.06 N/m) were measured in experiments using the proposed method. When used properly, this method calibrates the conversion factors that are accurate to {+-}12.4% or better. This standard has less error than the commonly used method based on the cantilever's beam mechanics. Methods such of this allow accurate and direct conversion between lateral forces and photodiode signals without any knowledge of the cantilevers and the laser measuring system.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. Dielectrophoresis force of colloidal nanoparticles

    NASA Astrophysics Data System (ADS)

    Huang, Hao; Ou-Yang, Daniel

    Dielectrophoresis (DEP) is the motion of a polarizable colloidal particle in a non­uniform electric field. The magnitude of the DEP force is known to be proportional to the gradient of E2. The DEP force also depends on the relative polarizability of the particle to that of the surrounding medium. Due to its ease of use, DEP has been proposed for a variety of applications to manipulate colloidal particles in a microfluidic setting. However, accurate measurements of the DEP force on colloidal nanoparticles are lacking. A new method is proposed to measure accurately the DEP potential force of colloidal nanoparticles by using confocal fluorescence imaging to determine the density distributions of dilute colloidal nanoparticle in a DEP potential force field. The DEP potential field can be calculated from the particle density distributions since the spatial distribution of the particle number density follows the Boltzmann distribution of the DEP potential energy. The validity of the measured DEP force is tested by examining the force as a function of the E field strength and particle size. The classic Maxwell­Wagner­O'Konski is found to be inadequate to fully describe the frequency dependence of the DEP force. NSF 0928299, Emulsion Polymer Institute, Department of Physics of Lehigh University.

  4. Predict amine solution properties accurately

    SciTech Connect

    Cheng, S.; Meisen, A.; Chakma, A.

    1996-02-01

    Improved process design begins with using accurate physical property data. Especially in the preliminary design stage, physical property data such as density viscosity, thermal conductivity and specific heat can affect the overall performance of absorbers, heat exchangers, reboilers and pump. These properties can also influence temperature profiles in heat transfer equipment and thus control or affect the rate of amine breakdown. Aqueous-amine solution physical property data are available in graphical form. However, it is not convenient to use with computer-based calculations. Developed equations allow improved correlations of derived physical property estimates with published data. Expressions are given which can be used to estimate physical properties of methyldiethanolamine (MDEA), monoethanolamine (MEA) and diglycolamine (DGA) solutions.

  5. 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.

  6. Accurate rotational rest-frequencies of CH2NH at submillimetre wavelengths

    NASA Astrophysics Data System (ADS)

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

    2012-08-01

    Context. Methanimine (CH2NH) has been detected in different astronomical sources, both galactic (as in several "hot cores", the circumstellar enevolope IRC+10216, and the L183 pre-stellar core) and extragalactic, and is considered a pre-biotic interstellar molecule. Its ground-state rotational spectrum has been studied in the laboratory up to 172 GHz, well below the spectral ranges covered by Herschel/HIFI and the ALMA bands 9 and 10. Aims: In this laboratory study, we extend into the submillimetre-wave region the detection of the rotational spectrum of CH2NH in its vibrational ground state. Methods: The investigation was carried out using a source-modulation microwave spectrometer equipped with a cell coupled to a pyrolysis apparatus working at 1150 °C. The spectrum was recorded in the frequency range 329-629 GHz, with the detection of 58 transitions. Results: The newly measured transition frequencies, along with those available from previous microwave studies, allow us to determine fairly accurate rotational constants of CH2NH and the complete sets of quartic and sextic centrifugal distortion constants, in addition to two octic constants. Several transitions have an hyperfine structure due to the 14N nucleus, which was accounted for in the analysis. Conclusions: The determined spectroscopic constants make it possible to build a list of very accurate rest-frequencies for astrophysical purposes in the THz region with 1σ uncertainties lower than 0.01 km s-1 in radial equivalent velocity. Table 1 is only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/544/A19

  7. Vacuum force

    NASA Astrophysics Data System (ADS)

    Han, Yongquan

    2015-03-01

    To study on vacuum force, we must clear what is vacuum, vacuum is a space do not have any air and also ray. There is not exist an absolute the vacuum of space. The vacuum of space is relative, so that the vacuum force is relative. There is a certain that vacuum vacuum space exists. In fact, the vacuum space is relative, if the two spaces compared to the existence of relative vacuum, there must exist a vacuum force, and the direction of the vacuum force point to the vacuum region. Any object rotates and radiates. Rotate bend radiate- centripetal, gravity produced, relative gravity; non gravity is the vacuum force. Gravity is centripetal, is a trend that the objects who attracted wants to Centripetal, or have been do Centripetal movement. Any object moves, so gravity makes the object curve movement, that is to say, the radiation range curve movement must be in the gravitational objects, gravity must be existed in non vacuum region, and make the object who is in the region of do curve movement (for example: The earth moves around the sun), or final attracted in the form gravitational objects, and keep relatively static with attract object. (for example: objects on the earth moves but can't reach the first cosmic speed).

  8. 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. PMID:21952980

  9. 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

  10. Accurate Prediction of Docked Protein Structure Similarity.

    PubMed

    Akbal-Delibas, Bahar; Pomplun, Marc; Haspel, Nurit

    2015-09-01

    One of the major challenges for protein-protein docking methods is to accurately discriminate nativelike structures. The protein docking community agrees on the existence of a relationship between various favorable intermolecular interactions (e.g. Van der Waals, electrostatic, desolvation forces, etc.) and the similarity of a conformation to its native structure. Different docking algorithms often formulate this relationship as a weighted sum of selected terms and calibrate their weights against specific training data to evaluate and rank candidate structures. However, the exact form of this relationship is unknown and the accuracy of such methods is impaired by the pervasiveness of false positives. Unlike the conventional scoring functions, we propose a novel machine learning approach that not only ranks the candidate structures relative to each other but also indicates how similar each candidate is to the native conformation. We trained the AccuRMSD neural network with an extensive dataset using the back-propagation learning algorithm. Our method achieved predicting RMSDs of unbound docked complexes with 0.4Å error margin. PMID:26335807

  11. 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.

  12. Accurate spectroscopic characterization of oxirane: A valuable route to its identification in Titan's atmosphere and the assignment of unidentified infrared bands

    SciTech Connect

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

    2014-04-20

    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{sup –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).

  13. 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

  14. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2013-07-01 2013-07-01 false Accurate measurement. 4... 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...

  15. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Accurate measurement. 4... 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...

  16. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2011-07-01 2011-07-01 false Accurate measurement. 4... 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...

  17. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2014-07-01 2014-07-01 false Accurate measurement. 4... 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...

  18. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2012-07-01 2012-07-01 false Accurate measurement. 4... 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...

  19. 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.

  20. 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; Brock, I; Brock, R; Bronner, J; Brooijmans, G; Brooks, T; Brooks, W K; Brosamer, J; Brost, E; Brown, J; Bruckman de Renstrom, P A; Bruncko, D; Bruneliere, R; Bruni, A; Bruni, G; Bruschi, M; Bryngemark, L; Buanes, T; Buat, Q; Bucci, F; Buchholz, P; Buckley, A G; Buda, S I; Budagov, I A; Buehrer, F; Bugge, L; Bugge, M K; Bulekov, O; Burckhart, H; Burdin, S; Burghgrave, B; Burke, S; Burmeister, I; Busato, E; Büscher, D; Büscher, V; Bussey, P; Buszello, C P; Butler, J M; Butt, A I; Buttar, C M; Butterworth, J M; Butti, P; Buttinger, W; Buzatu, A; Cabrera Urbán, S; Caforio, D; Cakir, O; Calafiura, P; Calandri, A; Calderini, G; Calfayan, P; Caloba, L P; Calvet, D; Calvet, S; Camacho Toro, R; Camarda, S; Cameron, D; Caminada, L M; Caminal Armadans, R; Campana, S; Campanelli, M; Campoverde, A; Canale, V

    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. PMID:26230784

  1. 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

  2. Point-Force Energy Coupling

    NASA Astrophysics Data System (ADS)

    Burton, Tristan; Squires, Kyle

    2005-11-01

    Fully resolved simulations of particle-laden turbulent flows are computationally expensive even with a single particle. Therefore, simulations of flows with realistic numbers of particles typically treat the disperse phase as point-particles and models are used to account for the interaction between the phases. The particle trajectories are determined using a Lagrangian particle equation of motion that accounts for the fluid forces. The effect of the particulate phase on the fluid is included using point-force momentum coupling, where the opposite of the force applied to each particle by the fluid is distributed back to fluid grid points in a local region. In this work, we perform direct numerical simulation (DNS) of a particle moving at a prescribed constant or time-dependent velocity through a stationary fluid, and use the resulting force history in a corresponding point-force simulation to study point-force energy coupling. The energy input from the moving particle and the fluid dissipation in the DNS are compared to corresponding quantities in the unresolved calculation. A range of particle Reynolds numbers and ratios of the particle diameter to the unresolved grid spacing are considered to determine the conditions under which point-force momentum coupling provides accurate energy coupling.

  3. 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.

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

    DOE PAGESBeta

    Abazov, V. M.; Abbott, B.; Acharya, B. S.; Adams, M.; Adams, T.; Agnew, J. P.; Alexeev, G. D.; Alkhazov, G.; Alton, A.; Askew, A.; et al

    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

  5. 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.

  6. An ab initio study of the harmonic and anharmonic force field and fundamental vibrational frequencies of performic acid

    NASA Astrophysics Data System (ADS)

    Bock, Charles W.; Trachtman, Mendel; George, Philip

    1980-11-01

    The harmonic and anharmonic force fields and fundamental vibrational frequencies of cis-cis and cis-trans performic acid are studied ab initio in the 4-31G basis set using geometries fully optimized at this level. The frequencies predicted for the cis-cis conformer are compared with those derived from spectroscopic observations on the most stable form. An extensive comparison is made between the changes in diagonal and off-diagonal quadratic and cubic force constants, and diagonal stretching quartic constants, in going from the chain to the ring structure in performic and formic acid, and features which these changes have in common are seen to support the view that there is a hydrogen bonding type of interaction in trans-formic acid despite its unfavorable geometry.

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

    DOE PAGESBeta

    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-shellmore » nuclei are in reasonable agreement with experiment.« less

  8. 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.

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

    PubMed

    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. PMID:27497538

  10. 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.

  11. Accurate theoretical chemistry with coupled pair models.

    PubMed

    Neese, Frank; Hansen, Andreas; Wennmohs, Frank; Grimme, Stefan

    2009-05-19

    Quantum chemistry has found its way into the everyday work of many experimental chemists. Calculations can predict the outcome of chemical reactions, afford insight into reaction mechanisms, and be used to interpret structure and bonding in molecules. Thus, contemporary theory offers tremendous opportunities in experimental chemical research. However, even with present-day computers and algorithms, we cannot solve the many particle Schrodinger equation exactly; inevitably some error is introduced in approximating the solutions of this equation. Thus, the accuracy of quantum chemical calculations is of critical importance. The affordable accuracy depends on molecular size and particularly on the total number of atoms: for orientation, ethanol has 9 atoms, aspirin 21 atoms, morphine 40 atoms, sildenafil 63 atoms, paclitaxel 113 atoms, insulin nearly 800 atoms, and quaternary hemoglobin almost 12,000 atoms. Currently, molecules with up to approximately 10 atoms can be very accurately studied by coupled cluster (CC) theory, approximately 100 atoms with second-order Møller-Plesset perturbation theory (MP2), approximately 1000 atoms with density functional theory (DFT), and beyond that number with semiempirical quantum chemistry and force-field methods. The overwhelming majority of present-day calculations in the 100-atom range use DFT. Although these methods have been very successful in quantum chemistry, they do not offer a well-defined hierarchy of calculations that allows one to systematically converge to the correct answer. Recently a number of rather spectacular failures of DFT methods have been found-even for seemingly simple systems such as hydrocarbons, fueling renewed interest in wave function-based methods that incorporate the relevant physics of electron correlation in a more systematic way. Thus, it would be highly desirable to fill the gap between 10 and 100 atoms with highly correlated ab initio methods. We have found that one of the earliest (and now

  12. 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.

  13. Pairing forces in nuclei

    SciTech Connect

    Chasman, R.R.

    1996-12-31

    In this contribution, the author mentions some features of pairing forces that are unique to nuclei and cover some areas of major interest in nuclear structure research, that involve pairing. At the level of most nuclear structure studies, nuclei are treated as consisting of two kinds of fermions (protons and neutrons) in a valence space with rather few levels. These features give rise to unique aspects of pairing forces in nuclei: (1) n-p pairing in T = 0 as well as the usual T = 1 pairing that is characteristic of like fermions; (2) a need to correct pairing calculations for the (1/N) effects that can typically be neglected in superconducting solids. An issue of current concern is the nature of the pairing interaction: several recent studies suggest a need for a density dependent form of the pairing interaction. There is a good deal of feedback between the questions of accurate calculations of pairing interactions and the form and magnitude of the pairing interaction. Finally, the authors discuss some many-body wave functions that are a generalization of the BCS wave function form, and apply them to a calculation of energy level spacings in superdeformed rotational bands.

  14. 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. PMID:16268681

  15. Measurement of the electrical and mechanical responses of a force transducer against impact forces

    NASA Astrophysics Data System (ADS)

    Fujii, Yusaku

    2006-08-01

    A method for measuring the electrical and mechanical responses of force transducers to impact loads is proposed. The levitation mass method (LMM) is used to generate and measure the reference impact force used. In the LMM, a mass that is levitated using an aerostatic linear bearing (and hence encounters negligible friction) is made to collide with the force transducer under test, and the force acting on the mass is measured using an optical interferometer. The electrical response is evaluated by comparing the output signal of the force transducer with the inertial force of the mass as measured using the optical interferometer. Simultaneously, the mechanical response is evaluated by comparing the displacement of the sensing point of the transducer, which is measured using another optical interferometer, with the inertial force of the mass. To demonstrate the efficiency of the proposed method, the impact responses of a force transducer are accurately determined.

  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. Remote balance weighs accurately amid high radiation

    NASA Technical Reports Server (NTRS)

    Eggenberger, D. N.; Shuck, A. B.

    1969-01-01

    Commercial beam-type balance, modified and outfitted with electronic controls and digital readout, can be remotely controlled for use in high radiation environments. This allows accurate weighing of breeder-reactor fuel pieces when they are radioactively hot.

  18. Understanding the Code: keeping accurate records.

    PubMed

    Griffith, Richard

    2015-10-01

    In his continuing series looking at the legal and professional implications of the Nursing and Midwifery Council's revised Code of Conduct, Richard Griffith discusses the elements of accurate record keeping under Standard 10 of the Code. This article considers the importance of accurate record keeping for the safety of patients and protection of district nurses. The legal implications of records are explained along with how district nurses should write records to ensure these legal requirements are met. PMID:26418404

  19. Towards an accurate dissociative potential for water

    NASA Astrophysics Data System (ADS)

    Akin-Ojo, Omololu

    2014-03-01

    Most models of water describe the molecule as rigid, i.e., with fixed bond angles and bond lengths, or as flexible in which the bond angles and bond lengths vary but the chemical bonds cannot be broken. In this work we present our progress in the development of a water model which allows for the breaking and formation of chemical bonds. The force field was obtained by fitting ab initio (not DFT) energies, forces, and molecular properties. The ability of the model to predict properties of water at ambient and extreme conditions will be presented. We will also report on the modeling of small clusters of water using the dissociative force field.

  20. Polarization effects in molecular mechanical force fields.

    PubMed

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

    2009-08-19

    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

  1. 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

  2. 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.

  3. A highly accurate interatomic potential for argon

    NASA Astrophysics Data System (ADS)

    Aziz, Ronald A.

    1993-09-01

    A modified potential based on the individually damped model of Douketis, Scoles, Marchetti, Zen, and Thakkar [J. Chem. Phys. 76, 3057 (1982)] is presented which fits, within experimental error, the accurate ultraviolet (UV) vibration-rotation spectrum of argon determined by UV laser absorption spectroscopy by Herman, LaRocque, and Stoicheff [J. Chem. Phys. 89, 4535 (1988)]. Other literature potentials fail to do so. The potential also is shown to predict a large number of other properties and is probably the most accurate characterization of the argon interaction constructed to date.

  4. 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.

  5. 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.

  6. 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.

  7. 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

    2012-06-01

    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

  8. Blocked force measurement of an electro-active paper actuator using a cantilevered force transducer

    NASA Astrophysics Data System (ADS)

    Yun, Gyu-young; Kim, Heung Soo; Kim, Jaehwan

    2008-04-01

    The blocked force of an electro-active paper (EAPap) actuator was measured by a custom-built force transducer. The tip deflection of the force transducer was measured and converted into force using a simple Euler beam model. Since the blocked force is the maximum force generated at the tip of a bending actuator without displacement, the blocked force was found from the measured force of the transducer by extrapolating it. The force transducer was made from a thin steel cantilever beam and calibrated using a linear stage and a micro-balance. The measured maximum free bending displacement of the EAPap actuator was 4.4 mm and the blocked force was 224 µN under 350 V mm-1 AC electric field and 33 µN under DC electric field with the same field strength. When an AC electric field was applied to the actuator, the generated blocked force of the EAPap was about 700% larger than that caused by DC excitation. The proposed blocked force measurement is accurate down to a micro-Newton resolution under DC as well as AC electric fields.

  9. 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…

  10. 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.

  11. Feedback about more accurate versus less accurate trials: differential effects on self-confidence and activation.

    PubMed

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

    2012-06-01

    One purpose of the present study was to examine whether self-confidence or anxiety would be differentially affected byfeedback 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 two conditions: one group received feedback on the most accurate trials, whereas another group received feedback on the least accurate trials. On day 2, participants completed an anxiety questionnaire and performed a retention test. Shin conductance level, as a measure of arousal, was determined. The results indicated that feedback about more accurate trials resulted in more effective learning as well as increased self-confidence. Also, activation was a predictor of performance. PMID:22808705

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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. PMID:24651081

  18. 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.

  19. Accurate modeling of parallel scientific computations

    NASA Technical Reports Server (NTRS)

    Nicol, David M.; Townsend, James C.

    1988-01-01

    Scientific codes are usually parallelized by partitioning a grid among processors. To achieve top performance it is necessary to partition the grid so as to balance workload and minimize communication/synchronization costs. This problem is particularly acute when the grid is irregular, changes over the course of the computation, and is not known until load time. Critical mapping and remapping decisions rest on the ability to accurately predict performance, given a description of a grid and its partition. This paper discusses one approach to this problem, and illustrates its use on a one-dimensional fluids code. The models constructed are shown to be accurate, and are used to find optimal remapping schedules.

  20. 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

  1. 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.

  2. Accurate maser positions for MALT-45

    NASA Astrophysics Data System (ADS)

    Jordan, Christopher; Bains, Indra; Voronkov, Maxim; Lo, Nadia; Jones, Paul; Muller, Erik; Cunningham, Maria; Burton, Michael; Brooks, Kate; Green, James; Fuller, Gary; Barnes, Peter; Ellingsen, Simon; Urquhart, James; Morgan, Larry; Rowell, Gavin; Walsh, Andrew; Loenen, Edo; Baan, Willem; Hill, Tracey; Purcell, Cormac; Breen, Shari; Peretto, Nicolas; Jackson, James; Lowe, Vicki; Longmore, Steven

    2013-10-01

    MALT-45 is an untargeted survey, mapping the Galactic plane in CS (1-0), Class I methanol masers, SiO masers and thermal emission, and high frequency continuum emission. After obtaining images from the survey, a number of masers were detected, but without accurate positions. This project seeks to resolve each maser and its environment, with the ultimate goal of placing the Class I methanol maser into a timeline of high mass star formation.

  3. Accurate phase-shift velocimetry in rock.

    PubMed

    Shukla, Matsyendra Nath; Vallatos, Antoine; Phoenix, Vernon R; Holmes, William M

    2016-06-01

    Spatially resolved Pulsed Field Gradient (PFG) velocimetry techniques can provide precious information concerning flow through opaque systems, including rocks. This velocimetry data is used to enhance flow models in a wide range of systems, from oil behaviour in reservoir rocks to contaminant transport in aquifers. Phase-shift velocimetry is the fastest way to produce velocity maps but critical issues have been reported when studying flow through rocks and porous media, leading to inaccurate results. Combining PFG measurements for flow through Bentheimer sandstone with simulations, we demonstrate that asymmetries in the molecular displacement distributions within each voxel are the main source of phase-shift velocimetry errors. We show that when flow-related average molecular displacements are negligible compared to self-diffusion ones, symmetric displacement distributions can be obtained while phase measurement noise is minimised. We elaborate a complete method for the production of accurate phase-shift velocimetry maps in rocks and low porosity media and demonstrate its validity for a range of flow rates. This development of accurate phase-shift velocimetry now enables more rapid and accurate velocity analysis, potentially helping to inform both industrial applications and theoretical models. PMID:27111139

  4. Accurate Molecular Polarizabilities Based on Continuum Electrostatics

    PubMed Central

    Truchon, Jean-François; Nicholls, Anthony; Iftimie, Radu I.; Roux, Benoît; Bayly, Christopher I.

    2013-01-01

    A novel approach for representing the intramolecular polarizability as a continuum dielectric is introduced to account for molecular electronic polarization. It is shown, using a finite-difference solution to the Poisson equation, that the Electronic Polarization from Internal Continuum (EPIC) model yields accurate gas-phase molecular polarizability tensors for a test set of 98 challenging molecules composed of heteroaromatics, alkanes and diatomics. The electronic polarization originates from a high intramolecular dielectric that produces polarizabilities consistent with B3LYP/aug-cc-pVTZ and experimental values when surrounded by vacuum dielectric. In contrast to other approaches to model electronic polarization, this simple model avoids the polarizability catastrophe and accurately calculates molecular anisotropy with the use of very few fitted parameters and without resorting to auxiliary sites or anisotropic atomic centers. On average, the unsigned error in the average polarizability and anisotropy compared to B3LYP are 2% and 5%, respectively. The correlation between the polarizability components from B3LYP and this approach lead to a R2 of 0.990 and a slope of 0.999. Even the F2 anisotropy, shown to be a difficult case for existing polarizability models, can be reproduced within 2% error. In addition to providing new parameters for a rapid method directly applicable to the calculation of polarizabilities, this work extends the widely used Poisson equation to areas where accurate molecular polarizabilities matter. PMID:23646034

  5. Accurate phase-shift velocimetry in rock

    NASA Astrophysics Data System (ADS)

    Shukla, Matsyendra Nath; Vallatos, Antoine; Phoenix, Vernon R.; Holmes, William M.

    2016-06-01

    Spatially resolved Pulsed Field Gradient (PFG) velocimetry techniques can provide precious information concerning flow through opaque systems, including rocks. This velocimetry data is used to enhance flow models in a wide range of systems, from oil behaviour in reservoir rocks to contaminant transport in aquifers. Phase-shift velocimetry is the fastest way to produce velocity maps but critical issues have been reported when studying flow through rocks and porous media, leading to inaccurate results. Combining PFG measurements for flow through Bentheimer sandstone with simulations, we demonstrate that asymmetries in the molecular displacement distributions within each voxel are the main source of phase-shift velocimetry errors. We show that when flow-related average molecular displacements are negligible compared to self-diffusion ones, symmetric displacement distributions can be obtained while phase measurement noise is minimised. We elaborate a complete method for the production of accurate phase-shift velocimetry maps in rocks and low porosity media and demonstrate its validity for a range of flow rates. This development of accurate phase-shift velocimetry now enables more rapid and accurate velocity analysis, potentially helping to inform both industrial applications and theoretical models.

  6. 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. PMID:27410747

  7. 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

  8. Force aggregation using genetic algortihms

    NASA Astrophysics Data System (ADS)

    Shea, Peter J.; Peterson, John; Alexander, Kathleen; Azevedo, Alcino

    2004-01-01

    A surveillance system needs to accurately locate and identify not only single targets, but also groups of targets engaged in a common activity. Most existing tracking systems are capable of tracking individual targets quite accurately; however, they fail to use information related to group behavior in order to improve these estimates. Furthermore, in wide area surveillance situations a military operator is required to sort through hundreds to thousands of individual targets in order to develop an understanding of the situation. Having the ability to collapse the behavior of individual targets into a common, coordinated motion can greatly enhance the productively and situational awareness of the operator. Our long-term approach to solving this problem is to develop an understanding of how to define a group and then to understand the inter-relationships between the various characteristics that describe a group. Then using this information, we will be able to partition the set of target into groups that can be aggregated over the entire military force hierarchy. This goal of this paper is to describe an approach that is based upon genetic algorithms for solving the military force hierarchy problem. This paper will describe the underlying genetic algorithm, scoring function, and some initial results.

  9. Force aggregation using genetic algortihms

    NASA Astrophysics Data System (ADS)

    Shea, Peter J.; Peterson, John; Alexander, Kathleen; Azevedo, Alcino

    2003-12-01

    A surveillance system needs to accurately locate and identify not only single targets, but also groups of targets engaged in a common activity. Most existing tracking systems are capable of tracking individual targets quite accurately; however, they fail to use information related to group behavior in order to improve these estimates. Furthermore, in wide area surveillance situations a military operator is required to sort through hundreds to thousands of individual targets in order to develop an understanding of the situation. Having the ability to collapse the behavior of individual targets into a common, coordinated motion can greatly enhance the productively and situational awareness of the operator. Our long-term approach to solving this problem is to develop an understanding of how to define a group and then to understand the inter-relationships between the various characteristics that describe a group. Then using this information, we will be able to partition the set of target into groups that can be aggregated over the entire military force hierarchy. This goal of this paper is to describe an approach that is based upon genetic algorithms for solving the military force hierarchy problem. This paper will describe the underlying genetic algorithm, scoring function, and some initial results.

  10. 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

  11. Accurate measurement of unsteady state fluid temperature

    NASA Astrophysics Data System (ADS)

    Jaremkiewicz, Magdalena

    2016-07-01

    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.

  12. 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.

  13. 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.

  14. Are Kohn-Sham conductances accurate?

    PubMed

    Mera, H; Niquet, Y M

    2010-11-19

    We use Fermi-liquid relations to address the accuracy of conductances calculated from the single-particle states of exact Kohn-Sham (KS) density functional theory. We demonstrate a systematic failure of this procedure for the calculation of the conductance, and show how it originates from the lack of renormalization in the KS spectral function. In certain limits this failure can lead to a large overestimation of the true conductance. We also show, however, that the KS conductances can be accurate for single-channel molecular junctions and systems where direct Coulomb interactions are strongly dominant. PMID:21231333

  15. Accurate density functional thermochemistry for larger molecules.

    SciTech Connect

    Raghavachari, K.; Stefanov, B. B.; Curtiss, L. A.; Lucent Tech.

    1997-06-20

    Density functional methods are combined with isodesmic bond separation reaction energies to yield accurate thermochemistry for larger molecules. Seven different density functionals are assessed for the evaluation of heats of formation, Delta H 0 (298 K), for a test set of 40 molecules composed of H, C, O and N. The use of bond separation energies results in a dramatic improvement in the accuracy of all the density functionals. The B3-LYP functional has the smallest mean absolute deviation from experiment (1.5 kcal mol/f).

  16. 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. PMID:11366835

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Accurate radiative transfer calculations for layered media.

    PubMed

    Selden, Adrian C

    2016-07-01

    Simple yet accurate results for radiative transfer in layered media with discontinuous refractive index are obtained by the method of K-integrals. These are certain weighted integrals applied to the angular intensity distribution at the refracting boundaries. The radiative intensity is expressed as the sum of the asymptotic angular intensity distribution valid in the depth of the scattering medium and a transient term valid near the boundary. Integrated boundary equations are obtained, yielding simple linear equations for the intensity coefficients, enabling the angular emission intensity and the diffuse reflectance (albedo) and transmittance of the scattering layer to be calculated without solving the radiative transfer equation directly. Examples are given of half-space, slab, interface, and double-layer calculations, and extensions to multilayer systems are indicated. The K-integral method is orders of magnitude more accurate than diffusion theory and can be applied to layered scattering media with a wide range of scattering albedos, with potential applications to biomedical and ocean optics. PMID:27409700

  2. 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

  3. How Accurately can we Calculate Thermal Systems?

    SciTech Connect

    Cullen, D; Blomquist, R N; Dean, C; Heinrichs, D; Kalugin, M A; Lee, M; Lee, Y; MacFarlan, R; Nagaya, Y; Trkov, A

    2004-04-20

    I would like to determine how accurately a variety of neutron transport code packages (code and cross section libraries) can calculate simple integral parameters, such as K{sub eff}, for systems that are sensitive to thermal neutron scattering. Since we will only consider theoretical systems, we cannot really determine absolute accuracy compared to any real system. Therefore rather than accuracy, it would be more precise to say that I would like to determine the spread in answers that we obtain from a variety of code packages. This spread should serve as an excellent indicator of how accurately we can really model and calculate such systems today. Hopefully, eventually this will lead to improvements in both our codes and the thermal scattering models that they use in the future. In order to accomplish this I propose a number of extremely simple systems that involve thermal neutron scattering that can be easily modeled and calculated by a variety of neutron transport codes. These are theoretical systems designed to emphasize the effects of thermal scattering, since that is what we are interested in studying. I have attempted to keep these systems very simple, and yet at the same time they include most, if not all, of the important thermal scattering effects encountered in a large, water-moderated, uranium fueled thermal system, i.e., our typical thermal reactors.

  4. 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.

  5. 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.

  6. Accurate determination of characteristic relative permeability curves

    NASA Astrophysics Data System (ADS)

    Krause, Michael H.; Benson, Sally M.

    2015-09-01

    A recently developed technique to accurately characterize sub-core scale heterogeneity is applied to investigate the factors responsible for flowrate-dependent effective relative permeability curves measured on core samples in the laboratory. The dependency of laboratory measured relative permeability on flowrate has long been both supported and challenged by a number of investigators. Studies have shown that this apparent flowrate dependency is a result of both sub-core scale heterogeneity and outlet boundary effects. However this has only been demonstrated numerically for highly simplified models of porous media. In this paper, flowrate dependency of effective relative permeability is demonstrated using two rock cores, a Berea Sandstone and a heterogeneous sandstone from the Otway Basin Pilot Project in Australia. Numerical simulations of steady-state coreflooding experiments are conducted at a number of injection rates using a single set of input characteristic relative permeability curves. Effective relative permeability is then calculated from the simulation data using standard interpretation methods for calculating relative permeability from steady-state tests. Results show that simplified approaches may be used to determine flowrate-independent characteristic relative permeability provided flow rate is sufficiently high, and the core heterogeneity is relatively low. It is also shown that characteristic relative permeability can be determined at any typical flowrate, and even for geologically complex models, when using accurate three-dimensional models.

  7. Force propagation and force generation in cells.

    PubMed

    Jonas, Oliver; Duschl, Claus

    2010-09-01

    Determining how forces are produced by and propagated through the cytoskeleton (CSK) of the cell is of great interest as dynamic processes of the CSK are intimately correlated with many molecular signaling pathways. We are presenting a novel approach for integrating measurements on cell elasticity, transcellular force propagation, and cellular force generation to obtain a comprehensive description of dynamic and mechanical properties of the CSK under force loading. This approach uses a combination of scanning force microscopy (SFM) and Total Internal Reflection Fluorescence (TIRF) microscopy. We apply well-defined loading schemes onto the apical cell membrane of fibroblasts using the SFM and simultaneously use TIRF microscopy to image the topography of the basal cell membrane. The locally distinct changes of shape and depth of the cytoskeletal imprints onto the basal membrane are interpreted as results of force propagation through the cytoplasm. This observation provides evidence for the tensegrity model and demonstrates the usefulness of our approach that does not depend on potentially disturbing marker compounds. We confirm that the actin network greatly determines cell stiffness and represents the substrate that mediates force transduction through the cytoplasm of the cell. The latter is an essential feature of tensegrity. Most importantly, our new finding that, both intact actin and microtubule networks are required for enabling the cell to produce work, can only be understood within the framework of the tensegrity model. We also provide, for the first time, a direct measurement of the cell's mechanical power output under compression at two femtowatts. PMID:20607861

  8. 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)

  9. 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 PAGESBeta

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; et al

    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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. The thermodynamic cost of accurate sensory adaptation

    NASA Astrophysics Data System (ADS)

    Tu, Yuhai

    2015-03-01

    Living organisms need to obtain and process environment information accurately in order to make decisions critical for their survival. Much progress have been made in identifying key components responsible for various biological functions, however, major challenges remain to understand system-level behaviors from the molecular-level knowledge of biology and to unravel possible physical principles for the underlying biochemical circuits. In this talk, we will present some recent works in understanding the chemical sensory system of E. coli by combining theoretical approaches with quantitative experiments. We focus on addressing the questions on how cells process chemical information and adapt to varying environment, and what are the thermodynamic limits of key regulatory functions, such as adaptation.

  15. 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 subarcminute range which is considerably smaller than the field-of-view of conventional imaging telescope systems. Here we present how this subarcminute 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.

  16. 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. PMID:24549293

  17. 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.

  18. 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.

  19. 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. PMID:27565341

  20. 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.

  1. 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. PMID:12747164

  2. Accurate Weather Forecasting for Radio Astronomy

    NASA Astrophysics Data System (ADS)

    Maddalena, Ronald J.

    2010-01-01

    The NRAO Green Bank Telescope routinely observes at wavelengths from 3 mm to 1 m. As with all mm-wave telescopes, observing conditions depend upon the variable atmospheric water content. The site provides over 100 days/yr when opacities are low enough for good observing at 3 mm, but winds on the open-air structure reduce the time suitable for 3-mm observing where pointing is critical. Thus, to maximum productivity the observing wavelength needs to match weather conditions. For 6 years the telescope has used a dynamic scheduling system (recently upgraded; www.gb.nrao.edu/DSS) that requires accurate multi-day forecasts for winds and opacities. Since opacity forecasts are not provided by the National Weather Services (NWS), I have developed an automated system that takes available forecasts, derives forecasted opacities, and deploys the results on the web in user-friendly graphical overviews (www.gb.nrao.edu/ rmaddale/Weather). The system relies on the "North American Mesoscale" models, which are updated by the NWS every 6 hrs, have a 12 km horizontal resolution, 1 hr temporal resolution, run to 84 hrs, and have 60 vertical layers that extend to 20 km. Each forecast consists of a time series of ground conditions, cloud coverage, etc, and, most importantly, temperature, pressure, humidity as a function of height. I use the Liebe's MWP model (Radio Science, 20, 1069, 1985) to determine the absorption in each layer for each hour for 30 observing wavelengths. Radiative transfer provides, for each hour and wavelength, the total opacity and the radio brightness of the atmosphere, which contributes substantially at some wavelengths to Tsys and the observational noise. Comparisons of measured and forecasted Tsys at 22.2 and 44 GHz imply that the forecasted opacities are good to about 0.01 Nepers, which is sufficient for forecasting and accurate calibration. Reliability is high out to 2 days and degrades slowly for longer-range forecasts.

  3. In vivo recording of aerodynamic force with an aerodynamic force platform: from drones to birds.

    PubMed

    Lentink, David; Haselsteiner, Andreas F; Ingersoll, Rivers

    2015-03-01

    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

  4. 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

  5. Crossflow force transducer. [LMFBR

    SciTech Connect

    Mulcahy, T M

    1982-05-01

    A force transducer for measuring lift and drag coefficients for a circular cylinder in turbulent water flow is presented. In addition to describing the actual design and construction of the strain-gauged force- ring based transducer, requirements for obtained valid fluid force test data are discussed, and pertinent flow test experience is related.

  6. Debunking Coriolis Force Myths

    ERIC Educational Resources Information Center

    Shakur, Asif

    2014-01-01

    Much has been written and debated about the Coriolis force. Unfortunately, this has done little to demystify the paradoxes surrounding this fictitious force invoked by an observer in a rotating frame of reference. It is the purpose of this article to make another valiant attempt to slay the dragon of the Coriolis force! This will be done without…

  7. Forces in General Relativity

    ERIC Educational Resources Information Center

    Ridgely, Charles T.

    2010-01-01

    Many textbooks dealing with general relativity do not demonstrate the derivation of forces in enough detail. The analyses presented herein demonstrate straightforward methods for computing forces by way of general relativity. Covariant divergence of the stress-energy-momentum tensor is used to derive a general expression of the force experienced…

  8. Molecular adsorption at Pt(111). How accurate are DFT functionals?

    PubMed

    Gautier, Sarah; Steinmann, Stephan N; Michel, Carine; Fleurat-Lessard, Paul; Sautet, Philippe

    2015-11-21

    Molecular chemisorption at a metal surface is a key step for many processes, such as catalysis, electrochemistry, surface treatment, tribology and friction. Modeling with density functional theory is largely used on these systems. From a detailed comparison with accurate micro-calorimetric data on ten systems (involving ethylene, cyclohexene, benzene, naphthalene, CO, O2, H2, methane, ethane), we study the accuracy, for chemisorption on Pt(111), of five exchange-correlation functionals including one generalized gradient approximation functional (PBE) and four functionals that take into account van der Waals interactions (optPBE-vdW, optB86b-vdW, BEEF-vdW, PBE-dDsC). If the functionals used provide very similar geometries and electronic structures, as shown by projected density of states, they give strikingly different results for the adsorption energy of molecules on Pt(111). Among the set of chemisorption data, the lowest mean absolute deviations (MAD) are obtained with the optPBE-vdW and PBE-dDsC functionals (∼0.2 eV) while PBE and optB86b-vdW give twice larger MAD (∼0.45 eV). BEEF-vdW is intermediate with a MAD of 0.33 eV. For laterally π-bound unsaturated hydrocarbons (cyclohexene, benzene, naphthalene) the PBE and the BEEF-vdW functionals are severally under-bound, while optPBE-vdW and PBE-dDsC provide a good match with experiments. Hence both the incorporation of van der Waals dispersive forces and the choice of the exchange functional have a key influence on the chemisorption energy. Vertically bound ethylidyne and CO are in contrast over-bound with all functionals, the best agreement being obtained with BEEF-vdW. None of the selected functionals hence provides a universally accurate treatment of chemisorption energies. PMID:26455444

  9. 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.

  10. Seismic Waves, 4th order accurate

    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-Dmore » 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.« less

  11. Accurate interpretation of the Lachman test.

    PubMed

    Frank, C

    1986-12-01

    In a consecutive series of patients with knee complaints, tibial rotation consistently affected the interpretation of the Lachman test (passive anterior tibial translation in slight knee flexion). To perform the Lachman test correctly, the anterior tibial force must be applied posteromedially on the proximal tibia. This is best achieved by having the leg under examination on the same side of the bed as the examiner, and with slight external tibial rotation. Reaching across the bed to examine either leg can create either false positive or false negative Lachman results due to inadvertent tibial rotation (internal tibial rotation decreases translation) and inaccurate comparisons of the injured and normal legs. The importance of tibial rotation must be recognized if the Lachman test is to be used reliably and with maximum sensitivity. PMID:3780086

  12. 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.

  13. Preschoolers can make highly accurate judgments of learning.

    PubMed

    Lipowski, Stacy L; Merriman, William E; Dunlosky, John

    2013-08-01

    Preschoolers' ability to make judgments of learning (JOLs) was examined in 3 experiments in which they were taught proper names for animals. In Experiment 1, when judgments were made immediately after studying, nearly every child predicted subsequent recall of every name. When judgments were made after a delay, fewer showed this response tendency. The delayed JOLs of those who predicted at least 1 recall failure were still overconfident, however, and were not correlated with final recall. In Experiment 2, children received a second study trial with feedback, made JOLs after a delay, and completed an additional forced-choice judgment task. In this task, an animal whose name had been recalled was pitted against an animal whose name had not been recalled, and the children chose the one they were more likely to remember later. Compared with Experiment 1, more children predicted at least 1 recall failure and predictions were moderately accurate. In the forced-choice task, animal names that had just been successfully recalled were typically chosen over ones that had not. Experiment 3 examined the effect of providing an additional retrieval attempt on delayed JOLs. Half of the children received a single study session, and half received an additional study session with feedback. Children in the practice group showed less overconfidence than those in the no-practice group. Taken together, the results suggest that, with minimal task experience, most preschoolers understand that they will not remember everything and that if they cannot recall something at present, they are unlikely to recall it in the future. PMID:23148937

  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. Cell adhesion force microscopy

    PubMed Central

    Sagvolden, G.; Giaever, I.; Pettersen, E. O.; Feder, J.

    1999-01-01

    The adhesion forces of cervical carcinoma cells in tissue culture were measured by using the manipulation force microscope, a novel atomic force microscope. The forces were studied as a function of time and temperature for cells cultured on hydrophilic and hydrophobic polystyrene substrates with preadsorbed proteins. The cells attached faster and stronger at 37°C than at 23°C and better on hydrophilic than on hydrophobic substrates, even though proteins adsorb much better to the hydrophobic substrates. Because cell adhesion serves to control several stages in the cell cycle, we anticipate that the manipulation force microscope can help clarify some cell-adhesion related issues. PMID:9892657

  16. Efficacy of climate forcings

    NASA Astrophysics Data System (ADS)

    Hansen, J.; Sato, M.; Ruedy, R.; Nazarenko, L.; Lacis, A.; Schmidt, G. A.; Russell, G.; Aleinov, I.; Bauer, M.; Bauer, S.; Bell, N.; Cairns, B.; Canuto, V.; Chandler, M.; Cheng, Y.; Del Genio, A.; Faluvegi, G.; Fleming, E.; Friend, A.; Hall, T.; Jackman, C.; Kelley, M.; Kiang, N.; Koch, D.; Lean, J.; Lerner, J.; Lo, K.; Menon, S.; Miller, R.; Minnis, P.; Novakov, T.; Oinas, V.; Perlwitz, Ja.; Perlwitz, Ju.; Rind, D.; Romanou, A.; Shindell, D.; Stone, P.; Sun, S.; Tausnev, N.; Thresher, D.; Wielicki, B.; Wong, T.; Yao, M.; Zhang, S.

    2005-09-01

    We use a global climate model to compare the effectiveness of many climate forcing agents for producing climate change. We find a substantial range in the "efficacy" of different forcings, where the efficacy is the global temperature response per unit forcing relative to the response to CO2 forcing. Anthropogenic CH4 has efficacy ˜110%, which increases to ˜145% when its indirect effects on stratospheric H2O and tropospheric O3 are included, yielding an effective climate forcing of ˜0.8 W/m2 for the period 1750-2000 and making CH4 the largest anthropogenic climate forcing other than CO2. Black carbon (BC) aerosols from biomass burning have a calculated efficacy ˜58%, while fossil fuel BC has an efficacy ˜78%. Accounting for forcing efficacies and for indirect effects via snow albedo and cloud changes, we find that fossil fuel soot, defined as BC + OC (organic carbon), has a net positive forcing while biomass burning BC + OC has a negative forcing. We show that replacement of the traditional instantaneous and adjusted forcings, Fi and Fa, with an easily computed alternative, Fs, yields a better predictor of climate change, i.e., its efficacies are closer to unity. Fs is inferred from flux and temperature changes in a fixed-ocean model run. There is remarkable congruence in the spatial distribution of climate change, normalized to the same forcing Fs, for most climate forcing agents, suggesting that the global forcing has more relevance to regional climate change than may have been anticipated. Increasing greenhouse gases intensify the Hadley circulation in our model, increasing rainfall in the Intertropical Convergence Zone (ITCZ), Eastern United States, and East Asia, while intensifying dry conditions in the subtropics including the Southwest United States, the Mediterranean region, the Middle East, and an expanding Sahel. These features survive in model simulations that use all estimated forcings for the period 1880-2000. Responses to localized forcings, such

  17. 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 facilitate precise optical lever system calibrations for cantilever flexure and torsion, enabling quantifiable adhesion measurements and friction measurements by lateral force microscopy (LFM). Critically, a single hammerhead cantilever of known flexural stiffness and probe length dimension can be used to perform both a system calibration as well as surface force measurements in situ, which greatly increases force measurement precision and accuracy. During LFM calibration mode, a hammerhead cantilever allows an optical lever ''torque sensitivity'' to be generated for the quantification of LFM friction forces. Precise calibrations were performed on two different AFM instruments, in which torque sensitivity values were specified with sub-percent relative uncertainty. To examine the potential for accurate lateral force measurements using the prototype cantilevers, finite element analysis predicted measurement errors of a few percent or less, which could be reduced via refinement of calibration methodology or cantilever design. The cantilevers are compatible with commercial AFM instrumentation and can be used for other AFM techniques such as contact imaging and dynamic mode measurements.

  18. Brief: Field measurements of casing tension forces

    SciTech Connect

    Quigley, M.S.; Lewis, D.B.; Boswell, R.S.

    1995-02-01

    Tension forces acting on individual casing joints were accurately measured during installation of 10,158 ft of 9 5/8-in. {times} 47-lbm/ft casing and 11,960 ft of 11 7/8-in. {times} 71.8-lbm/ft casing. A unique casing load table (CLT) weighed the casing string after the addition of each casing joint. Strain gauges attached inside the pin ends of instrumented casing joints (ICJ`s) directly measured tension force on those joints. A high-speed computer data-acquisition system (DAS) automatically recorded data from all the sensors. Several casing joints were intentionally subjected to extreme deceleration to determine upper limits for dynamic tension forces. Data from these tests clearly show effects of wellbore friction and casing handling conditions. In every case, tension forces in the casing during maximum deceleration were considerably less than expected. In some cases, the highest tension forces occurred when the casing lifted out of the slips. Peak tension forces caused by setting the casing slips were typically no more than 5% greater than tension forces in the casing at rest. This dynamic amplification was far less than the 60% value used in the previous casing design method. Reducing the safety factor for installation loads has permitted use of lighter, less-expensive casing than dictated by older design criteria.

  19. Forces in molecules.

    PubMed

    Hernández-Trujillo, Jesús; Cortés-Guzmán, Fernando; Fang, De-Chai; Bader, Richard F W

    2007-01-01

    Chemistry is determined by the electrostatic forces acting within a collection of nuclei and electrons. The attraction of the nuclei for the electrons is the only attractive force in a molecule and is the force responsible for the bonding between atoms. This is the attractive force acting on the electrons in the Ehrenfest force and on the nuclei in the Feynman force, one that is countered by the repulsion between the electrons in the former and by the repulsion between the nuclei in the latter. The virial theorem relates these forces to the energy changes resulting from interactions between atoms. All bonding, as signified by the presence of a bond path, has a common origin in terms of the mechanics determined by the Ehrenfest, Feynman and virial theorems. This paper is concerned in particular with the mechanics of interaction encountered in what are classically described as 'nonbonded interactions'--are atoms that 'touch' bonded or repelling one another? PMID:17328425

  20. An ab initio study of the influence of substituents and intramolecular hydrogen bonding on the carbonyl bond length, and the harmonic and anharmonic stretching force constants. I. Monosubstituted carbonyl compounds

    NASA Astrophysics Data System (ADS)

    Bock, Charles W.; Trachtman, Mendel; George, Philip

    1981-11-01

    The CO bond length and the quadratic, cubic and quartic stretching force constants, calculated ab initio using the unscaled 4-31G basis set with full geometry optimization, are reported for three series of monosubstituted carbonyl compounds in which the atom directly bonded to the carbonyl carbon is another carbon, a nitrogen, or an oxygen atom, respectively. The data are analyzed in terms of the In ƒ versus In re relationship, and also the generalized power functions and exponential functions proposed by Herschbach and Laurie. Not only does the atom directly bonded to the carbonyl carbon affect the magnitude of re and the force constants, but the rest of the substituent group is found to be capable of exerting an even greater influence. Within each series of compounds the overall progression from the shortest to the longest CO bonds is tentatively attributed to a diminishing electron density in the bonding region.

  1. Sparse regularization for force identification using dictionaries

    NASA Astrophysics Data System (ADS)

    Qiao, Baijie; Zhang, Xingwu; Wang, Chenxi; Zhang, Hang; Chen, Xuefeng

    2016-04-01

    The classical function expansion method based on minimizing l2-norm of the response residual employs various basis functions to represent the unknown force. Its difficulty lies in determining the optimum number of basis functions. Considering the sparsity of force in the time domain or in other basis space, we develop a general sparse regularization method based on minimizing l1-norm of the coefficient vector of basis functions. The number of basis functions is adaptively determined by minimizing the number of nonzero components in the coefficient vector during the sparse regularization process. First, according to the profile of the unknown force, the dictionary composed of basis functions is determined. Second, a sparsity convex optimization model for force identification is constructed. Third, given the transfer function and the operational response, Sparse reconstruction by separable approximation (SpaRSA) is developed to solve the sparse regularization problem of force identification. Finally, experiments including identification of impact and harmonic forces are conducted on a cantilever thin plate structure to illustrate the effectiveness and applicability of SpaRSA. Besides the Dirac dictionary, other three sparse dictionaries including Db6 wavelets, Sym4 wavelets and cubic B-spline functions can also accurately identify both the single and double impact forces from highly noisy responses in a sparse representation frame. The discrete cosine functions can also successfully reconstruct the harmonic forces including the sinusoidal, square and triangular forces. Conversely, the traditional Tikhonov regularization method with the L-curve criterion fails to identify both the impact and harmonic forces in these cases.

  2. Force Limited Vibration Testing

    NASA Technical Reports Server (NTRS)

    Scharton, Terry; Chang, Kurng Y.

    2005-01-01

    This slide presentation reviews the concept and applications of Force Limited Vibration Testing. The goal of vibration testing of aerospace hardware is to identify problems that would result in flight failures. The commonly used aerospace vibration tests uses artificially high shaker forces and responses at the resonance frequencies of the test item. It has become common to limit the acceleration responses in the test to those predicted for the flight. This requires an analysis of the acceleration response, and requires placing accelerometers on the test item. With the advent of piezoelectric gages it has become possible to improve vibration testing. The basic equations have are reviewed. Force limits are analogous and complementary to the acceleration specifications used in conventional vibration testing. Just as the acceleration specification is the frequency spectrum envelope of the in-flight acceleration at the interface between the test item and flight mounting structure, the force limit is the envelope of the in-flight force at the interface . In force limited vibration tests, both the acceleration and force specifications are needed, and the force specification is generally based on and proportional to the acceleration specification. Therefore, force limiting does not compensate for errors in the development of the acceleration specification, e.g., too much conservatism or the lack thereof. These errors will carry over into the force specification. Since in-flight vibratory force data are scarce, force limits are often derived from coupled system analyses and impedance information obtained from measurements or finite element models (FEM). Fortunately, data on the interface forces between systems and components are now available from system acoustic and vibration tests of development test models and from a few flight experiments. Semi-empirical methods of predicting force limits are currently being developed on the basis of the limited flight and system test

  3. 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.

  4. Fast and Provably Accurate Bilateral Filtering

    NASA Astrophysics Data System (ADS)

    Chaudhury, Kunal N.; Dabhade, Swapnil D.

    2016-06-01

    The bilateral filter is a non-linear filter that uses a range filter along with a spatial filter to perform edge-preserving smoothing of images. A direct computation of the bilateral filter requires $O(S)$ operations per pixel, where $S$ is the size of the support of the spatial filter. In this paper, we present a fast and provably accurate algorithm for approximating the bilateral filter when the range kernel is Gaussian. In particular, for box and Gaussian spatial filters, the proposed algorithm can cut down the complexity to $O(1)$ per pixel for any arbitrary $S$. The algorithm has a simple implementation involving $N+1$ spatial filterings, where $N$ is the approximation order. We give a detailed analysis of the filtering accuracy that can be achieved by the proposed approximation in relation to the target bilateral filter. This allows us to to estimate the order $N$ required to obtain a given accuracy. We also present comprehensive numerical results to demonstrate that the proposed algorithm is competitive with state-of-the-art methods in terms of speed and accuracy.

  5. 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

  6. Fast and Provably Accurate Bilateral Filtering.

    PubMed

    Chaudhury, Kunal N; Dabhade, Swapnil D

    2016-06-01

    The bilateral filter is a non-linear filter that uses a range filter along with a spatial filter to perform edge-preserving smoothing of images. A direct computation of the bilateral filter requires O(S) operations per pixel, where S is the size of the support of the spatial filter. In this paper, we present a fast and provably accurate algorithm for approximating the bilateral filter when the range kernel is Gaussian. In particular, for box and Gaussian spatial filters, the proposed algorithm can cut down the complexity to O(1) per pixel for any arbitrary S . The algorithm has a simple implementation involving N+1 spatial filterings, where N is the approximation order. We give a detailed analysis of the filtering accuracy that can be achieved by the proposed approximation in relation to the target bilateral filter. This allows us to estimate the order N required to obtain a given accuracy. We also present comprehensive numerical results to demonstrate that the proposed algorithm is competitive with the state-of-the-art methods in terms of speed and accuracy. PMID:27093722

  7. How Accurate are SuperCOSMOS Positions?

    NASA Astrophysics Data System (ADS)

    Schaefer, Adam; Hunstead, Richard; Johnston, Helen

    2014-02-01

    Optical positions from the SuperCOSMOS Sky Survey have been compared in detail with accurate radio positions that define the second realisation of the International Celestial Reference Frame (ICRF2). The comparison was limited to the IIIaJ plates from the UK/AAO and Oschin (Palomar) Schmidt telescopes. A total of 1 373 ICRF2 sources was used, with the sample restricted to stellar objects brighter than BJ = 20 and Galactic latitudes |b| > 10°. Position differences showed an rms scatter of 0.16 arcsec in right ascension and declination. While overall systematic offsets were < 0.1 arcsec in each hemisphere, both the systematics and scatter were greater in the north.

  8. Accurate adiabatic correction in the hydrogen molecule

    SciTech Connect

    Pachucki, Krzysztof; Komasa, Jacek

    2014-12-14

    A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10{sup −12} at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H{sub 2}, HD, HT, D{sub 2}, DT, and T{sub 2} has been determined. For the ground state of H{sub 2} the estimated precision is 3 × 10{sup −7} cm{sup −1}, which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels.

  9. Accurate adiabatic correction in the hydrogen molecule

    NASA Astrophysics Data System (ADS)

    Pachucki, Krzysztof; Komasa, Jacek

    2014-12-01

    A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10-12 at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H2, HD, HT, D2, DT, and T2 has been determined. For the ground state of H2 the estimated precision is 3 × 10-7 cm-1, which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels.

  10. 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.

  11. 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.

  12. Accurate lineshape spectroscopy and the Boltzmann constant.

    PubMed

    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

  13. 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

  14. Aerosol Absorption and Radiative Forcing

    NASA Technical Reports Server (NTRS)

    Stier, Philip; Seinfeld, J. H.; Kinne, Stefan; Boucher, Olivier

    2007-01-01

    We present a comprehensive examination of aerosol absorption with a focus on evaluating the sensitivity of the global distribution of aerosol absorption to key uncertainties in the process representation. For this purpose we extended the comprehensive aerosol-climate model ECHAM5-HAM by effective medium approximations for the calculation of aerosol effective refractive indices, updated black carbon refractive indices, new cloud radiative properties considering the effect of aerosol inclusions, as well as by modules for the calculation of long-wave aerosol radiative properties and instantaneous aerosol forcing. The evaluation of the simulated aerosol absorption optical depth with the AERONET sun-photometer network shows a good agreement in the large scale global patterns. On a regional basis it becomes evident that the update of the BC refractive indices to Bond and Bergstrom (2006) significantly improves the previous underestimation of the aerosol absorption optical depth. In the global annual-mean, absorption acts to reduce the shortwave anthropogenic aerosol top-of-atmosphere (TOA) radiative forcing clear-sky from -0.79 to -0.53 W m(sup -2) (33%) and all-sky from -0.47 to -0.13W m(sup -2 (72%). Our results confirm that basic assumptions about the BC refractive index play a key role for aerosol absorption and radiative forcing. The effect of the usage of more accurate effective medium approximations is comparably small. We demonstrate that the diversity in the AeroCom land-surface albedo fields contributes to the uncertainty in the simulated anthropogenic aerosol radiative forcings: the usage of an upper versus lower bound of the AeroCom land albedos introduces a global annual-mean TOA forcing range of 0.19W m(sup -2) (36%) clear-sky and of 0.12W m(sup -2) (92%) all-sky. The consideration of black carbon inclusions on cloud radiative properties results in a small global annual-mean all-sky absorption of 0.05W m(sup -2) and a positive TOA forcing perturbation of 0

  15. DETAILED STUDIES OF ELECTRON COOLING FRICTION FORCE.

    SciTech Connect

    FEDOTOV, A.V.; BRUHWILER, D.L.; ABELL, D.T.; SIDORIN, A.O.

    2005-09-18

    High-energy electron cooling for RHIC presents many unique features and challenges. An accurate estimate of the cooling times requires detailed simulation of the electron cooling process. The first step towards such calculations is to have an accurate description of the cooling force. Numerical simulations are being used to explore various features of the friction force which appear due to several effects, including the anisotropy of the electron distribution in velocity space and the effect of a strong solenoidal magnetic field. These aspects are being studied in detail using the VORFAL code, which explicitly resolves close binary collisions. Results are compared with available asymptotic and empirical formulas and also, using the BETACOOL code, with direct numerical integration of less approximate expressions over the specified electron distribution function.

  16. Detailed Studies of Electron Cooling Friction Force

    SciTech Connect

    Fedotov, A. V.; Bruhwiler, D. L.; Abell, D. T.; Sidorin, A. O.

    2006-03-20

    High-energy electron cooling for RHIC presents many unique features and challenges. An accurate estimate of the cooling times requires detailed simulation of the electron cooling process. The first step towards such calculations is to have an accurate description of the cooling force. Numerical simulations are being used to explore various features of the friction force which appear due to several effects, including the anisotropy of the electron distribution in velocity space and the effect of a strong solenoidal magnetic field. These aspects are being studied in detail using the VORPAL code, which explicitly resolves close binary collisions. Results are compared with available asymptotic and empirical formulas and also, using the BETACOOL code, with direct numerical integration of less approximate expressions over the specified electron distribution function.

  17. 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. PMID:19574626

  18. An Integrative Method for Accurate Comparative Genome Mapping

    PubMed Central

    Swidan, Firas; Rocha, Eduardo P. C; Shmoish, Michael; Pinter, Ron Y

    2006-01-01

    We present MAGIC, an integrative and accurate method for comparative genome mapping. Our method consists of two phases: preprocessing for identifying “maximal similar segments,” and mapping for clustering and classifying these segments. MAGIC's main novelty lies in its biologically intuitive clustering approach, which aims towards both calculating reorder-free segments and identifying orthologous segments. In the process, MAGIC efficiently handles ambiguities resulting from duplications that occurred before the speciation of the considered organisms from their most recent common ancestor. We demonstrate both MAGIC's robustness and scalability: the former is asserted with respect to its initial input and with respect to its parameters' values. The latter is asserted by applying MAGIC to distantly related organisms and to large genomes. We compare MAGIC to other comparative mapping methods and provide detailed analysis of the differences between them. Our improvements allow a comprehensive study of the diversity of genetic repertoires resulting from large-scale mutations, such as indels and duplications, including explicitly transposable and phagic elements. The strength of our method is demonstrated by detailed statistics computed for each type of these large-scale mutations. MAGIC enabled us to conduct a comprehensive analysis of the different forces shaping prokaryotic genomes from different clades, and to quantify the importance of novel gene content introduced by horizontal gene transfer relative to gene duplication in bacterial genome evolution. We use these results to investigate the breakpoint distribution in several prokaryotic genomes. PMID:16933978

  19. Progress in fast, accurate multi-scale climate simulations

    DOE PAGESBeta

    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 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. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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. PMID:27058888

  6. Accurate calculations of bound rovibrational states for argon trimer.

    PubMed

    Brandon, Drew; Poirier, Bill

    2014-07-21

    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. PMID:25053315

  7. Coulomb force as an entropic force

    NASA Astrophysics Data System (ADS)

    Wang, Tower

    2010-05-01

    Motivated by Verlinde’s theory of entropic gravity, we give a tentative explanation to the Coulomb’s law with an entropic force. When trying to do this, we find the equipartition rule should be extended to charges and the concept of temperature should be reinterpreted. If one accepts the holographic principle as well as our generalizations and reinterpretations, then Coulomb’s law, the Poisson equation, and the Maxwell equations can be derived smoothly. Our attempt can be regarded as a new way to unify the electromagnetic force with gravity, from the entropic origin. Possibly some of our postulates are related to the D-brane picture of black hole thermodynamics.

  8. Coulomb force as an entropic force

    SciTech Connect

    Wang Tower

    2010-05-15

    Motivated by Verlinde's theory of entropic gravity, we give a tentative explanation to the Coulomb's law with an entropic force. When trying to do this, we find the equipartition rule should be extended to charges and the concept of temperature should be reinterpreted. If one accepts the holographic principle as well as our generalizations and reinterpretations, then Coulomb's law, the Poisson equation, and the Maxwell equations can be derived smoothly. Our attempt can be regarded as a new way to unify the electromagnetic force with gravity, from the entropic origin. Possibly some of our postulates are related to the D-brane picture of black hole thermodynamics.

  9. 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).

  10. 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. PMID:26689962

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. A comparative ab initio study of the structures, dipole moments, force fields, and anharmonic frequencies of formamide and thioformamide

    NASA Astrophysics Data System (ADS)

    Bock, Charles W.; Trachtman, Mendel; George, Philip

    1981-09-01

    The structures, dipole moments, force fields, and anharmonic frequencies for the planar conformation of formamide and thioformamide were calculated using the unscaled 4-31G basis set, augmented with a full set of d functions on the sulfur, and full geometry optimization. Extensive comparison of the geometries are made, especially the CO and CS bond lengths, with both the experimental values for the amides and values calculated in previous studies on the acids and other carbonyl compounds. Comparison of the dipole moments calculated using the optimized and experimental geometries with the experimental values suggest there is some inconsistancy in the experimental geometry for thioformamide. Quadratic, cubic, and quartic force constants are calculated for both amides, and hence the fundamental vibration frequencies. Critical comparisons are made with the assignments based on experimental observations. Differences in the bond lengths and stretching force constants for the two NH bonds are shown to be consistent with a hydrogen-bonding type of interaction between the proximal NH and CO and CS groups, like that in the acids.

  16. Interaction force microscopy based on quartz tuning fork force sensor

    NASA Astrophysics Data System (ADS)

    Qin, Yexian

    The ability to sense small changes in the interaction force between a scanning probe microscope (SPM) tip and a substrate requires cantilevers with a sharp mechanical resonance. A typical commercially available cantilever in air is characterized by a resonance with a Q factor of 100 ˜ 300. The low Q factor can be attributed to imperfections in the cantilever itself as well as damping effects of the surrounding air. To substantially increase the Q factor, novel concepts are required. For this reason, we have performed a systematic study of quartz tuning fork resonators for possible use with SPMs. We find that tuning fork resonators operating in air are characterized by Q factors in the order of 104, thereby greatly improving the SPM's ability to measure small shifts in the interaction force. By carefully attaching commercially available SPM tips to the tuning fork, it is possible to obtain SPM images using non-contact imaging techniques and analyze the tip-sample interactions. The assembly of uniform molecular monolayers on atomically flat substrates for molecular electronics applications has received widespread attention during the past ten years. Scanning probe techniques are often used to assess substrate topography, molecular ordering and electronic properties, yet little is known about the fundamental tip-molecule interaction. To address this issue we have built an Interaction Force Microscope using a quartz tuning fork to probe tip-molecular monolayer interactions using scanning probe microscopy. The high quality factor and stable resonant frequency of a quartz tuning fork allows accurate measurement of small shifts in the resonant frequency as the tip interacts with the substrate. To permit an accurate measure of surface interaction forces, the electrical and piezomechanical properties of a tuning fork have been calibrated using a fiber optical interferometer. In prior work [1], we have studied molecular layers formed from either 4-Trifluoro

  17. Debunking Coriolis Force Myths

    NASA Astrophysics Data System (ADS)

    Shakur, Asif

    2014-11-01

    Much has been written and debated about the Coriolis force.1-8 Unfortunately, this has done little to demystify the paradoxes surrounding this fictitious force invoked by an observer in a rotating frame of reference. It is the purpose of this article to make another valiant attempt to slay the dragon of the Coriolis force! This will be done without unleashing the usual mathematical apparatus, which we believe is more of a hindrance than a help.

  18. Lathe tool force

    SciTech Connect

    Emery, J.D.

    1993-02-01

    This report describes a computer program that computes the forces exerted on a lathe tool as a part is being machined. The program is based on a mechanistic model which assumes that the normal force on the tool face is proportional to the cross-sectional area of the chip that is being removed from the part. This report gives transcripts of program runs, a comparison with experimentally measured forces, a bibliography, and a listing of the program.

  19. Relativistic Linear Restoring Force

    ERIC Educational Resources Information Center

    Clark, D.; Franklin, J.; Mann, N.

    2012-01-01

    We consider two different forms for a relativistic version of a linear restoring force. The pair comes from taking Hooke's law to be the force appearing on the right-hand side of the relativistic expressions: d"p"/d"t" or d"p"/d["tau"]. Either formulation recovers Hooke's law in the non-relativistic limit. In addition to these two forces, we…

  20. Time-Localization of Forced Oscillations in Power Systems

    SciTech Connect

    Follum, James D.; Pierre, John W.

    2015-07-26

    In power systems forced oscillations occur, and identification of these oscillations is important for the proper operation of the system. Two of the parameters of interest in analyzing and addressing forced oscillations are the starting and ending points. To obtain estimates of these parameters, this paper proposes a time-localization algorithm based on the geometric analysis of the sample cross-correlation between the measured data and a complex sinusoid at the frequency of the forced oscillation. Results from simulated and measured synchrophasor data demonstrate the algorithm's ability to accurately estimate the starting and ending points of forced oscillations.

  1. Mechanotransduction: use the force(s).

    PubMed

    Paluch, Ewa K; Nelson, Celeste M; Biais, Nicolas; Fabry, Ben; Moeller, Jens; Pruitt, Beth L; Wollnik, Carina; Kudryasheva, Galina; Rehfeldt, Florian; Federle, Walter

    2015-01-01

    Mechanotransduction - how cells sense physical forces and translate them into biochemical and biological responses - is a vibrant and rapidly-progressing field, and is important for a broad range of biological phenomena. This forum explores the role of mechanotransduction in a variety of cellular activities and highlights intriguing questions that deserve further attention. PMID:26141078

  2. No fifth force?

    NASA Astrophysics Data System (ADS)

    Maggs, William Ward

    Hopes that geophysicists might be able to document a fifth force of nature have diminished, as new measurements and analyses of earlier geodetic experiments have yielded no solid evidence of a non-Newtonian component of gravity.Modern physics recognizes four fundamental forces with distinct spheres of influence: The strong and weak nuclear forces operate over the range of one atom, while gravity and electromagnetism have an infinite range. Gravity measurements over a few centimeters in laboratories and over millions of kilometers in space continue to buttress Issac Newton's conclusion that the gravitational force between two objects decreases as the square of the distance between them.

  3. Electrodynamic force law controversy.

    PubMed

    Graneau, P; Graneau, N

    2001-05-01

    Cavalleri et al. [Phys. Rev. E 52, 2505 (1998); Eur. J. Phys. 17, 205 (1996)] have attempted to resolve the electrodynamic force law controversy. This attempt to prove the validity of either the Ampère or Lorentz force law by theory and experiment has revealed only that the two are equivalent when predicting the force on part of a circuit due to the current in the complete circuit. However, in our analysis of internal stresses, only Ampère's force law agrees with experiment. PMID:11415053

  4. Mechanical Analysis and Hierarchies of Multi-digit Synergies during Accurate Object Rotation

    PubMed Central

    Zhang, Wei; Olafsdottir, Halla B.; Zatsiorsky, Vladimir M.; Latash, Mark L.

    2009-01-01

    We studied the mechanical variables (the grip force and the total moment of force) and multi-digit synergies at two levels (the virtual finger-thumb level, VF-TH, and the individual finger level, IMRL) of a hypothetical control hierarchy during accurate rotation of a hand-held instrumented handle. Synergies were defined as co-varied changes in elemental variables (forces and moments of force) that stabilize the output at a particular level. Indices of multi-digit synergies showed higher values at the hierarchically higher level (VF-TH) for both normal and tangential forces. The moment of force was stabilized at both hierarchical levels during the steady-state phases but not during the movement. The results support the principles of superposition and of mechanical advantage. They also support an earlier hypothesis on an inherent trade-off between synergies at the two hierarchical levels, although the controller showed more subtle and versatile synergic control than the one hypothesized earlier. PMID:19799165

  5. Atomic Force Controlled Capillary Electrophoresis

    NASA Astrophysics Data System (ADS)

    Lewis, Aaron; Yeshua, Talia; Palchan, Mila; Lovsky, Yulia; Taha, Hesham

    2010-03-01

    Lithography based on scanning probe microscopic techniques has considerable potential for accurate & localized deposition of material on the nanometer scale. Controlled deposition of metallic features with high purity and spatial accuracy is of great interest for circuit edit applications in the semiconductor industry, for plasmonics & nanophotonics and for basic research in surface enhanced Raman scattering & nanobiophysics. Within the context of metal deposition we will review the development of fountain pen nanochemistry and its most recent emulation Atomic Force Controlled Capillary Electrophoresis (ACCE). Using this latter development we will demonstrate achievement of unprecedented control of nanoparticle deposition using a three-electrode geometry. Three electrodes are attached: one on the outside of a metal coated glass probe, one on the inside of a hollow probe in a solution containing Au nanoparticles in the capillary, and a third on the surface where the writing takes place. The three electrodes provide electrical pulses for accurate control of deposition and retraction of the liquid from the surface overcoming the lack of control seen in both dip pen lithography & fountain pen nanochemistry when the tip contacts the surface. With this development, we demonstrate depositing a single 1.3 nm Au nanoparticle onto surfaces such as semiconductors.

  6. Mechanical design and force calibration of dual-axis micromechanical probe for friction force microscopy

    NASA Astrophysics Data System (ADS)

    Fukuzawa, Kenji; Terada, Satoshi; Shikida, Mitsuhiro; Amakawa, Hiroaki; Zhang, Hedong; Mitsuya, Yasunaga

    2007-02-01

    A dual-axis micromechanical probe that combines a double cantilever and torsion beams is presented. This probe can reduce the mechanical cross-talk between the lateral and vertical force detections. In addition, dual-axis forces can be detected by measuring the dual-axis displacement of the probe end using the optical lever-based method used in conventional friction force microscopes (FFMs). In this paper, the mechanical design of the probe, the details of the fabrication method, FFM performance, and calibration of the friction force are discussed. The mechanical design and the microfabrication method for probes that can provide a force resolution of the order of 1nN without mechanical cross-talk are presented. Calibration of the lateral force signal is possible by using the relationship between the lateral force and the piezodisplacement at the onset of the probe scanning. The micromechanical probe enables simultaneous and independent detection of atomic and friction forces. This leads to accurate investigation of nanotribological phenomena and visualization of the distribution of the friction properties, which helps the identification of the material properties.

  7. Mechanical design and force calibration of dual-axis micromechanical probe for friction force microscopy

    SciTech Connect

    Fukuzawa, Kenji; Terada, Satoshi; Shikida, Mitsuhiro; Amakawa, Hiroaki; Zhang, Hedong; Mitsuya, Yasunaga

    2007-02-01

    A dual-axis micromechanical probe that combines a double cantilever and torsion beams is presented. This probe can reduce the mechanical cross-talk between the lateral and vertical force detections. In addition, dual-axis forces can be detected by measuring the dual-axis displacement of the probe end using the optical lever-based method used in conventional friction force microscopes (FFMs). In this paper, the mechanical design of the probe, the details of the fabrication method, FFM performance, and calibration of the friction force are discussed. The mechanical design and the microfabrication method for probes that can provide a force resolution of the order of 1 nN without mechanical cross-talk are presented. Calibration of the lateral force signal is possible by using the relationship between the lateral force and the piezodisplacement at the onset of the probe scanning. The micromechanical probe enables simultaneous and independent detection of atomic and friction forces. This leads to accurate investigation of nanotribological phenomena and visualization of the distribution of the friction properties, which helps the identification of the material properties.

  8. Feedback Control of Floor Reaction Force Based on Force-Reflecting-Type Multilateral Control

    NASA Astrophysics Data System (ADS)

    Nagase, Kazuki; Katsura, Seiichiro

    Real-world haptics is being studied not only for improving feedback on real-world haptic information in teleoperation but also for developing key technologies for future human support. For the remote operating of systems at distant places, haptic information is required in addition to visual information. The haptic information around a work environment can be the floor reaction force, which can be obtained using a movement-type haptic device. The floor reaction force from the environment that the mobile haptic device touches is fed back accurately to the operator. First, this paper proposes a general force-reflecting-type multilateral control. Second, this paper extends the control to feedback control of the floor reaction force by using force-reflecting-type multilateral control and a novel haptic device employing a biped robot with a slave system. The position response of a master system is transformed to a leg tip position command for the biped-type haptic device. In addition, the floor reaction force determined by the biped-type haptic device is fed back to the master system. The proposed method can determine the force feedback to the sole of the foot, which is not possible with a conventional stationary system. As a result, the floor reaction force from a large area can be obtained, and the operability of the control system is improved by using the proposed system.

  9. 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.

  10. 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.

  11. Labyrinth seal forces on a whirling rotor

    NASA Technical Reports Server (NTRS)

    Wright, D. V.

    1983-01-01

    An experimental investigation of air labyrinth seal forces on a subsynchronously whirling model rotor is described and test results are given for diverging, converging, and straight two-strip seals. The effects of pressure drop, provide basic experimental data needed in the development of design methods for predicting and preventing self-excited whirl of turbine rotors and other machines having labyrinth seals. The total dynamic seal forces on the whirling model rotor are measured accurately by means of an active damping and stiffness system that is adjusted to obtain neutral whirl stability of the model rotor system. In addition, the whirling pressure pattern in the seal annulus is measured for a few test conditions and the corresponding pressure forces on the rotor are compared with the total measured forces. This comparison shows that either radial and axial pressure gradients in the seal annulus or drag forces on the rotor are significant. Comparisons made between the measured seal forces and theoretical results show that present theory is inadequate.

  12. Force balances in systems of cylindrical polyelectrolytes.

    PubMed

    Brenner, S L; McQuarrie, D A

    1973-04-01

    A detailed analysis is made of the model system of two parallel cylindrical polyelectrolytes which contain ionizable groups on their surfaces and are immersed in an ionic bathing medium. The interaction between the cylinders is examined by considering the interplay between repulsive electrostatic forces and attractive forces of electrodynamic origin. The repulsive force arises from the screened coulomb interaction between the surface charge distributions on the cylinders and has been treated by developing a solution to the linearized Poisson-Boltzmann equation. The boundary condition at the cylinder surfaces is determined as a self-consistent functional of the potential, with the input consisting of the density of ionizable groups and their dissociation constants. It is suggested that a reasonably accurate representation for the form of the attractive force can be obtained by performing a pairwise summation of the individual interatomic forces. A quantitative estimate is obtained using a Hamaker constant chosen on the basis of rigorous calculations on simpler systems. It is found that a balance exists between these repulsive and attractive forces at separations in good agreement with those observed in arrays of tobacco mosaic virus and in the A band myosin lattice in striated muscle. The behavior of the balance point as a function of the pH and ionic strength of the bathing medium closely parallels that seen experimentally. PMID:4696760

  13. Climate forcings and feedbacks

    NASA Technical Reports Server (NTRS)

    Hansen, James

    1993-01-01

    Global temperature has increased significantly during the past century. Understanding the causes of observed global temperature change is impossible in the absence of adequate monitoring of changes in global climate forcings and radiative feedbacks. Climate forcings are changes imposed on the planet's energy balance, such as change of incoming sunlight or a human-induced change of surface properties due to deforestation. Radiative feedbacks are radiative changes induced by climate change, such as alteration of cloud properties or the extent of sea ice. Monitoring of global climate forcings and feedbacks, if sufficiently precise and long-term, can provide a very strong constraint on interpretation of observed temperature change. Such monitoring is essential to eliminate uncertainties about the relative importance of various climate change mechanisms including tropospheric sulfate aerosols from burning of coal and oil smoke from slash and burn agriculture, changes of solar irradiance changes of several greenhouse gases, and many other mechanisms. The considerable variability of observed temperature, together with evidence that a substantial portion of this variability is unforced indicates that observations of climate forcings and feedbacks must be continued for decades. Since the climate system responds to the time integral of the forcing, a further requirement is that the observations be carried out continuously. However, precise observations of forcings and feedbacks will also be able to provide valuable conclusions on shorter time scales. For example, knowledge of the climate forcing by increasing CFC's relative to the forcing by changing ozone is important to policymakers, as is information on the forcing by CO2 relative to the forcing by sulfate aerosols. It will also be possible to obtain valuable tests of climate models on short time scales, if there is precise monitoring of all forcings and feedbacks during and after events such as a large volcanic eruption

  14. Modeling traction forces in collective cell migration

    NASA Astrophysics Data System (ADS)

    Zimmermann, Juliane; Basan, Markus; Hayes, Ryan L.; Rappel, Wouter-Jan; Levine, Herbert

    2015-03-01

    Collective cell migration is an important process in embryonic development, wound healing, and cancer metastasis. We have developed a particle-based simulation for collective cell migration that describes flow patterns and finger formation at the tissue edge observed in wound healing experiments. We can apply methods for calculating intercellular stress to our simulation model, and have thereby provided evidence for the validity of a stress reconstitution method from traction forces used in experiments. To accurately capture experimentally measured traction forces and stresses in the tissue, which are mostly tensile, we have to include intracellular acto-myosin contraction into our simulation. We can then reproduce the experimentally observed behavior of cells moving around a circular obstacle, and suggest underlying mechanisms for cell-cell alignment and generation of traction force patterns.

  15. Solvation forces between rough surfaces

    SciTech Connect

    Frink, L.J.; van Swol, F.

    1998-04-01

    We investigate the role of surface roughness on solvation forces and solvation free energies. Roughness is introduced by dividing a surface into an array of square tiles that are then randomly displaced in the direction perpendicular to the wall. The integrated wall strength of these tiled surfaces is independent of the surface roughness and hence this class of rough walls is ideally suited for isolating roughness effects. We use grand canonical Monte Carlo simulations of a Lennard-Jones fluid confined in a slit pore with rough walls to generate the solvation interactions as a function of roughness, tile size, and surface area. The simulation data are compared to a simple superposition approximation of smooth wall solvation interactions (obtained from simulation or density functional theory), based on a distribution of wall separations. We find that this approximation provides a surprisingly accurate route to the solvation interaction of rough surfaces. In general, increased roughness leads to a reduction of oscillations in the solvation forces and surface free energies. However, nonmonotonic behavior of the oscillation amplitude with roughness can be observed for finite surfaces. The washing out of the oscillations found for large surface roughness produces a solvation force that exhibits a broad repulsive peak with separation. The broad repulsion is a consequence of the resistance to squeezing out fluid from the smallest gaps between two opposing rough surfaces. It is as much a reflection of packing effects as are the solvation oscillations for perfectly smooth pores. In addition, we present results for patterned and undulating surfaces produced by an analogous modification of the one-body external field for smooth walls. Finally, we discuss the implications of our results for a number of experimental systems including self-assembled monolayers, microporous materials, protein solutions, and DNA crystals. {copyright} {ital 1998 American Institute of Physics.}

  16. Effect of contact stiffness on wedge calibration of lateral force in atomic force microscopy

    SciTech Connect

    Wang Fei; Zhao Xuezeng

    2007-04-15

    Quantitative friction measurement of nanomaterials in atomic force microscope requires accurate calibration method for lateral force. The effect of contact stiffness on lateral force calibration of atomic force microscope is discussed in detail and an improved calibration method is presented. The calibration factor derived from the original method increased with the applied normal load, which indicates that separate calibration should be required for every given applied normal load to keep the accuracy of friction measurement. We improve the original method by introducing the contact factor, which is derived from the contact stiffness between the tip and the sample, to the calculation of calibration factors. The improved method makes the calculation of calibration factors under different applied normal loads possible without repeating the calibration procedure. Comparative experiments on a silicon wafer have been done by both the two methods to validate the method in this article.

  17. Forces in yeast flocculation

    PubMed Central

    El-Kirat-Chatel, Sofiane; Beaussart, Audrey; Vincent, Stéphane P.; Flos, Marta Abellán; Hols, Pascal; Lipke, Peter N.; Dufrêne, Yves F.

    2014-01-01

    In the baker's yeast Saccharomyces cerevisiae, cell-cell adhesion (“flocculation”) is conferred by a family of lectin-like proteins known as the flocculin (Flo) proteins. Knowledge of the adhesive and mechanical properties of flocculins is important for understanding the mechanisms of yeast adhesion, and may help controlling yeast behaviour in biotechnology. We use single-molecule and single-cell atomic force microscopy (AFM) to explore the nanoscale forces engaged in yeast flocculation, focusing on the role of Flo1 as a prototype of flocculins. Using AFM tips labelled with mannose, we detect single flocculins on Flo1-expressing cells, showing they are widely exposed on the cell surface. When subjected to force, individual Flo1 proteins display two distinct force responses, i.e. weak lectin binding forces and strong unfolding forces reflecting the force-induced extension of hydrophobic tandem repeats. We demonstrate that cell-cell adhesion bonds also involve multiple weak lectin interactions together with strong unfolding forces, both associated with Flo1 molecules. Single-molecule and single-cell data correlate with microscale cell adhesion behaviour, suggesting strongly that Flo1 mechanics is critical for yeast flocculation. These results favour a model in which not only weak lectin-sugar interactions are involved in yeast flocculation but also strong hydrophobic interactions resulting from protein unfolding. PMID:25515338

  18. SCM-Forcing Data

    DOE Data Explorer

    Xie, Shaocheng; Tang,Shuaiqi; Zhang,Yunyan; Zhang,Minghua

    2016-07-01

    Single-Column Model (SCM) Forcing Data are derived from the ARM facility observational data using the constrained variational analysis approach (Zhang and Lin 1997 and Zhang et al., 2001). The resulting products include both the large-scale forcing terms and the evaluation fields, which can be used for driving the SCMs and Cloud Resolving Models (CRMs) and validating model simulations.

  19. Elementary Particles and Forces.

    ERIC Educational Resources Information Center

    Quigg, Chris

    1985-01-01

    Discusses subatomic particles (quarks, leptons, and others) revealed by higher accelerator energies. A connection between forces at this subatomic level has been established, and prospects are good for a description of forces that encompass binding atomic nuclei. Colors, fundamental interactions, screening, camouflage, electroweak symmetry, and…

  20. Forces in yeast flocculation

    NASA Astrophysics Data System (ADS)

    El-Kirat-Chatel, Sofiane; Beaussart, Audrey; Vincent, Stéphane P.; Abellán Flos, Marta; Hols, Pascal; Lipke, Peter N.; Dufrêne, Yves F.

    2015-01-01

    In the baker's yeast Saccharomyces cerevisiae, cell-cell adhesion (``flocculation'') is conferred by a family of lectin-like proteins known as the flocculin (Flo) proteins. Knowledge of the adhesive and mechanical properties of flocculins is important for understanding the mechanisms of yeast adhesion, and may help controlling yeast behaviour in biotechnology. We use single-molecule and single-cell atomic force microscopy (AFM) to explore the nanoscale forces engaged in yeast flocculation, focusing on the role of Flo1 as a prototype of flocculins. Using AFM tips labelled with mannose, we detect single flocculins on Flo1-expressing cells, showing they are widely exposed on the cell surface. When subjected to force, individual Flo1 proteins display two distinct force responses, i.e. weak lectin binding forces and strong unfolding forces reflecting the force-induced extension of hydrophobic tandem repeats. We demonstrate that cell-cell adhesion bonds also involve multiple weak lectin interactions together with strong unfolding forces, both associated with Flo1 molecules. Single-molecule and single-cell data correlate with microscale cell adhesion behaviour, suggesting strongly that Flo1 mechanics is critical for yeast flocculation. These results favour a model in which not only weak lectin-sugar interactions are involved in yeast flocculation but also strong hydrophobic interactions resulting from protein unfolding.

  1. Force Concept Inventory.

    ERIC Educational Resources Information Center

    Hestenes, David; And Others

    1992-01-01

    Reports the rationale, design, validation, and uses of the "Force Concept Inventory," an instrument to assess the students' beliefs on force. Includes results and implications of two studies that compared the inventory with the "Mechanics Baseline." Includes a copy of the instrument. (MDH)

  2. Lorentz force velocimetry.

    PubMed

    Thess, A; Votyakov, E V; Kolesnikov, Y

    2006-04-28

    We describe a noncontact technique for velocity measurement in electrically conducting fluids. The technique, which we term Lorentz force velocimetry (LFV), is based on exposing the fluid to a magnetic field and measuring the drag force acting upon the magnetic field lines. Two series of measurements are reported, one in which the force is determined through the angular velocity of a rotary magnet system and one in which the force on a fixed magnet system is measured directly. Both experiments confirm that the measured signal is a linear function of the flow velocity. We then derive the scaling law that relates the force on a localized distribution of magnetized material to the velocity of an electrically conducting fluid. This law shows that LFV, if properly designed, has a wide range of potential applications in metallurgy, semiconductor crystal growth, and glass manufacturing. PMID:16712237

  3. Feeble forces and gravity.

    NASA Astrophysics Data System (ADS)

    Bars, Itzhak; Visser, Matt

    1987-03-01

    We develop a scenario in which feeble intermediate range forces emerge as an effect resulting from the compactification (à la Kaluza-Klein) of multidimensional theories. These feeble forces compete with gravity and in general permit different bodies to fall to earth with different accelerations. We show that these feeble forces are mediated by vectors (V) and/or scalars (S), whose dimensionless coupling constants are typically of order gv ≈ gs ≈ 10-10 Under certain plausible assumptions the ranges of these feeble forces are expected to be of order 1 m to 1 km. It is conjectured that the general strategy will prove applicable to realistic multidimensional theories such as the 10-dimensional superstring theories. We speculate that deviations from the standard gravitational force-similar to the ones reported recently as a “fifth force”-may be interpreted as evidence for higher dimensions.

  4. Conservative entropic forces

    NASA Astrophysics Data System (ADS)

    Visser, Matt

    2011-10-01

    Entropic forces have recently attracted considerable attention as ways to reformulate, retrodict, and perhaps even "explain" classical Newtonian gravity from a rather specific thermodynamic perspective. In this article I point out that if one wishes to reformulate classical Newtonian gravity in terms of an entropic force, then the fact that Newtonian gravity is described by a conservative force places significant constraints on the form of the entropy and temperature functions. (These constraints also apply to entropic reinterpretations of electromagnetism, and indeed to any conservative force derivable from a potential.) The constraints I will establish are sufficient to present real and significant problems for any reasonable variant of Verlinde's entropic gravity proposal, though for technical reasons the constraints established herein do not directly impact on either Jacobson'sor Padmanabhan's versions of entropic gravity. In an attempt to resolve these issues, I will extend the usual notion of entropic force to multiple heat baths with multiple "temperatures" and multiple "entropies".

  5. Accurate modelling of flow induced stresses in rigid colloidal aggregates

    NASA Astrophysics Data System (ADS)

    Vanni, Marco

    2015-07-01

    A method has been developed to estimate the motion and the internal stresses induced by a fluid flow on a rigid aggregate. The approach couples Stokesian dynamics and structural mechanics in order to take into account accurately the effect of the complex geometry of the aggregates on hydrodynamic forces and the internal redistribution of stresses. The intrinsic error of the method, due to the low-order truncation of the multipole expansion of the Stokes solution, has been assessed by comparison with the analytical solution for the case of a doublet in a shear flow. In addition, it has been shown that the error becomes smaller as the number of primary particles in the aggregate increases and hence it is expected to be negligible for realistic reproductions of large aggregates. The evaluation of internal forces is performed by an adaptation of the matrix methods of structural mechanics to the geometric features of the aggregates and to the particular stress-strain relationship that occurs at intermonomer contacts. A preliminary investigation on the stress distribution in rigid aggregates and their mode of breakup has been performed by studying the response to an elongational flow of both realistic reproductions of colloidal aggregates (made of several hundreds monomers) and highly simplified structures. A very different behaviour has been evidenced between low-density aggregates with isostatic or weakly hyperstatic structures and compact aggregates with highly hyperstatic configuration. In low-density clusters breakup is caused directly by the failure of the most stressed intermonomer contact, which is typically located in the inner region of the aggregate and hence originates the birth of fragments of similar size. On the contrary, breakup of compact and highly cross-linked clusters is seldom caused by the failure of a single bond. When this happens, it proceeds through the removal of a tiny fragment from the external part of the structure. More commonly, however

  6. An accurate and simple quantum model for liquid water.

    PubMed

    Paesani, Francesco; Zhang, Wei; Case, David A; Cheatham, Thomas E; Voth, Gregory A

    2006-11-14

    The path-integral molecular dynamics and centroid molecular dynamics methods have been applied to investigate the behavior of liquid water at ambient conditions starting from a recently developed simple point charge/flexible (SPC/Fw) model. Several quantum structural, thermodynamic, and dynamical properties have been computed and compared to the corresponding classical values, as well as to the available experimental data. The path-integral molecular dynamics simulations show that the inclusion of quantum effects results in a less structured liquid with a reduced amount of hydrogen bonding in comparison to its classical analog. The nuclear quantization also leads to a smaller dielectric constant and a larger diffusion coefficient relative to the corresponding classical values. Collective and single molecule time correlation functions show a faster decay than their classical counterparts. Good agreement with the experimental measurements in the low-frequency region is obtained for the quantum infrared spectrum, which also shows a higher intensity and a redshift relative to its classical analog. A modification of the original parametrization of the SPC/Fw model is suggested and tested in order to construct an accurate quantum model, called q-SPC/Fw, for liquid water. The quantum results for several thermodynamic and dynamical properties computed with the new model are shown to be in a significantly better agreement with the experimental data. Finally, a force-matching approach was applied to the q-SPC/Fw model to derive an effective quantum force field for liquid water in which the effects due to the nuclear quantization are explicitly distinguished from those due to the underlying molecular interactions. Thermodynamic and dynamical properties computed using standard classical simulations with this effective quantum potential are found in excellent agreement with those obtained from significantly more computationally demanding full centroid molecular dynamics

  7. Fast and Accurate Detection of Multiple Quantitative Trait Loci

    PubMed Central

    Nettelblad, Carl; Holmgren, Sverker

    2013-01-01

    Abstract We present a new computational scheme that enables efficient and reliable quantitative trait loci (QTL) scans for experimental populations. Using a standard brute-force exhaustive search effectively prohibits accurate QTL scans involving more than two loci to be performed in practice, at least if permutation testing is used to determine significance. Some more elaborate global optimization approaches, for example, DIRECT have been adopted earlier to QTL search problems. Dramatic speedups have been reported for high-dimensional scans. However, since a heuristic termination criterion must be used in these types of algorithms, the accuracy of the optimization process cannot be guaranteed. Indeed, earlier results show that a small bias in the significance thresholds is sometimes introduced. Our new optimization scheme, PruneDIRECT, is based on an analysis leading to a computable (Lipschitz) bound on the slope of a transformed objective function. The bound is derived for both infinite- and finite-size populations. Introducing a Lipschitz bound in DIRECT leads to an algorithm related to classical Lipschitz optimization. Regions in the search space can be permanently excluded (pruned) during the optimization process. Heuristic termination criteria can thus be avoided. Hence, PruneDIRECT has a well-defined error bound and can in practice be guaranteed to be equivalent to a corresponding exhaustive search. We present simulation results that show that for simultaneous mapping of three QTLS using permutation testing, PruneDIRECT is typically more than 50 times faster than exhaustive search. The speedup is higher for stronger QTL. This could be used to quickly detect strong candidate eQTL networks. PMID:23919387

  8. A Sub-Millimetric 3-DOF Force Sensing Instrument with Integrated Fiber Bragg Grating for Retinal Microsurgery

    PubMed Central

    He, Xingchi; Handa, James; Gehlbach, Peter; Taylor, Russell; Iordachita, Iulian

    2013-01-01

    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 sub-millimetric 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 super-elastic 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 three dimensional forces. PMID:24108455

  9. Linearly Forced Isotropic Turbulence

    NASA Technical Reports Server (NTRS)

    Lundgren, T. S.

    2003-01-01

    Stationary isotropic turbulence is often studied numerically by adding a forcing term to the Navier-Stokes equation. This is usually done for the purpose of achieving higher Reynolds number and longer statistics than is possible for isotropic decaying turbulence. It is generally accepted that forcing the Navier-Stokes equation at low wave number does not influence the small scale statistics of the flow provided that there is wide separation between the largest and smallest scales. It will be shown, however, that the spectral width of the forcing has a noticeable effect on inertial range statistics. A case will be made here for using a broader form of forcing in order to compare computed isotropic stationary turbulence with (decaying) grid turbulence. It is shown that using a forcing function which is directly proportional to the velocity has physical meaning and gives results which are closer to both homogeneous and non-homogeneous turbulence. Section 1 presents a four part series of motivations for linear forcing. Section 2 puts linear forcing to a numerical test with a pseudospectral computation.

  10. Turbomachinery rotor forces

    NASA Technical Reports Server (NTRS)

    Arndt, Norbert

    1988-01-01

    The fluid-induced forces, both steady and unsteady, acting upon an impeller of a centrifugal pump, and impeller blade-diffuser vane interaction in centrifugal pumps with vaned radial diffusers were evaluated experimentally and theoretically. Knowledge of the steady and unsteady forces, and the associated rotordynamic coefficients are required to effectively model the rotor dynamics of the High Pressure Fuel Turbopump (HPFTP) of the Space Shuttle Main Engine (SSME). These forces and rotordynamic coefficients were investigated using different impellers in combination with volutes and vaned diffusers, and axial inducers. These rotor forces are global. Local forces and pressures are also important in impeller-diffuser interaction, for they may cause cavitation damage and even vane failures. Thus, in a separate investigation, impeller wake, and impeller blade and diffuser vane pressure measurements were made. The nature of the rotordynamic forces is discussed, the experimental facility is described, and the measurements of unsteady forces and pressure are reported together with a brief and incomplete attempt to calculate these flows.

  11. A comparison of force fields and calculation methods for vibration intervals of isotopic H3(+) molecules

    NASA Astrophysics Data System (ADS)

    Carney, G. D.; Adler-Golden, S. M.; Lesseski, D. C.

    1986-04-01

    This paper reports (1) improved values for low-lying vibration intervals of H3(+), H2D(+), D2H(+), and D3(+) calculated using the variational method and Simons-Parr-Finlan (1973) representations of the Carney-Porter (1976) and Dykstra-Swope (1979) ab initio H3(+) potential energy surfaces, (2) quartic normal coordinate force fields for isotopic H3(+) molecules, (3) comparisons of variational and second-order perturbation theory, and (4) convergence properties of the Lai-Hagstrom internal coordinate vibrational Hamiltonian. Standard deviations between experimental and ab initio fundamental vibration intervals of H3(+), H2D(+), D2H(+), and D3(+) for these potential surfaces are 6.9 (Carney-Porter) and 1.2/cm (Dykstra-Swope). The standard deviations between perturbation theory and exact variational fundamentals are 5 and 10/cm for the respective surfaces. The internal coordinate Hamiltonian is found to be less efficient than the previously employed 't' coordinate Hamiltonian for these molecules, except in the case of H2D(+).

  12. OOTW Force Design Tools

    SciTech Connect

    Bell, R.E.; Hartley, D.S.III; Packard, S.L.

    1999-05-01

    This report documents refined requirements for tools to aid the process of force design in Operations Other Than War (OOTWs). It recommends actions for the creation of one tool and work on other tools relating to mission planning. It also identifies the governmental agencies and commands with interests in each tool, from whom should come the user advisory groups overseeing the respective tool development activities. The understanding of OOTWs and their analytical support requirements has matured to the point where action can be taken in three areas: force design, collaborative analysis, and impact analysis. While the nature of the action and the length of time before complete results can be expected depends on the area, in each case the action should begin immediately. Force design for OOTWs is not a technically difficult process. Like force design for combat operations, it is a process of matching the capabilities of forces against the specified and implied tasks of the operation, considering the constraints of logistics, transport and force availabilities. However, there is a critical difference that restricts the usefulness of combat force design tools for OOTWs: the combat tools are built to infer non-combat capability requirements from combat capability requirements and cannot reverse the direction of the inference, as is required for OOTWs. Recently, OOTWs have played a larger role in force assessment, system effectiveness and tradeoff analysis, and concept and doctrine development and analysis. In the first Quadrennial Defense Review (QDR), each of the Services created its own OOTW force design tool. Unfortunately, the tools address different parts of the problem and do not coordinate the use of competing capabilities. These tools satisfied the immediate requirements of the QDR, but do not provide a long-term cost-effective solution.

  13. Manual discrimination of force

    NASA Technical Reports Server (NTRS)

    Pang, Xiao-Dong; Tan, HONG-Z.; Durlach, Nathaniel I.

    1991-01-01

    Optimal design of human-machine interfaces for teleoperators and virtual-environment systems which involve the tactual and kinesthetic modalities requires knowledge of the human's resolving power in these modalities. The resolution of the interface should be appropriately matched to that of the human operator. We report some preliminary results on the ability of the human hand to distinguish small differences in force under a variety of conditions. Experiments were conducted on force discrimination with the thumb pushing an interface that exerts a constant force over the pushing distance and the index finger pressing against a fixed support. The dependence of the sensitivity index d' on force increment can be fit by a straight line through the origin and the just-noticeable difference (JND) in force can thus be described by the inverse of the slope of this line. The receiver operating characteristic (ROC) was measured by varying the a priori probabilities of the two alternatives, reference force and reference force plus an increment, in one-interval, two-alternative, forced-choice experiments. When plotted on normal deviate coordinates, the ROC's were roughly straight lines of unit slope, thus supporting the assumption of equal-variance normal distributions and the use of the conventional d' measure. The JND was roughly 6-8 percent for reference force ranging from 2.5 to 10 newtons, pushing distance from 5 to 30 mm, and initial finger-span from 45 to 125 mm. Also, the JND remained the same when the subjects were instructed to change the average speed of pushing from 23 to 153 mm/sec. The pushing was terminated by reaching either a wall or a well, and the JND's were essentially the same in both cases.

  14. Origins of hydrodynamic forces on centrifugal pump impellers

    NASA Technical Reports Server (NTRS)

    Adkins, Douglas R.; Brennen, Christopher E.

    1987-01-01

    Hydrodynamic interactions that occur between a centrifugal pump impeller and volute are experimentally and theoretically investigated. The theoretical analysis considers the inability of the blades to perfectly guide the flow through the impeller, and also includes a quasi-one dimensional treatment of the flow in the volute. The disturbance at the impeller discharge and the resulting forces are determined by the theoretical model. The model is then extended to obtain the hydrodynamic force perturbations that are caused by the impeller whirling eccentrically in the volute. Under many operating conditions, these force perturbations were found to be destablizing. Comparisons are made between the theoretical model and the experimental measurements of pressure distributions and radial forces on the impeller. The theoretical model yields fairly accurate predictions of the radial forces caused by the flow through the impeller. However, it was found that the pressure acting on the front shroud of the impeller has a substantial effect on the destablizing hydrodynamic forces.

  15. TOPICAL REVIEW: Polarization effects in molecular mechanical force fields

    NASA Astrophysics Data System (ADS)

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

    2009-08-01

    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.

  16. Dilatonic Entropic Force

    NASA Astrophysics Data System (ADS)

    Sakalli, I.

    2011-08-01

    We show in detail that the entropic force of the static spherically symmetric spacetimes with unusual asymptotics can be calculated through the Verlinde's arguments. We introduce three different holographic screen candidates, which are first employed thoroughly by Myung and Kim [Phys. Rev. D 81, 105012 (2010)] for Schwarzschild black hole solutions, in order to identify the entropic force arising between a charged dilaton black hole and a test particle. The significance of the dilaton parameter on the entropic force is highlighted, and shown graphically.

  17. The importance of accurate muscle modelling for biomechanical analyses: a case study with a lizard skull

    PubMed Central

    Gröning, Flora; Jones, Marc E. H.; Curtis, Neil; Herrel, Anthony; O'Higgins, Paul; Evans, Susan E.; Fagan, Michael J.

    2013-01-01

    Computer-based simulation techniques such as multi-body dynamics analysis are becoming increasingly popular in the field of skull mechanics. Multi-body models can be used for studying the relationships between skull architecture, muscle morphology and feeding performance. However, to be confident in the modelling results, models need to be validated against experimental data, and the effects of uncertainties or inaccuracies in the chosen model attributes need to be assessed with sensitivity analyses. Here, we compare the bite forces predicted by a multi-body model of a lizard (Tupinambis merianae) with in vivo measurements, using anatomical data collected from the same specimen. This subject-specific model predicts bite forces that are very close to the in vivo measurements and also shows a consistent increase in bite force as the bite position is moved posteriorly on the jaw. However, the model is very sensitive to changes in muscle attributes such as fibre length, intrinsic muscle strength and force orientation, with bite force predictions varying considerably when these three variables are altered. We conclude that accurate muscle measurements are crucial to building realistic multi-body models and that subject-specific data should be used whenever possible. PMID:23614944

  18. The importance of accurate muscle modelling for biomechanical analyses: a case study with a lizard skull.

    PubMed

    Gröning, Flora; Jones, Marc E H; Curtis, Neil; Herrel, Anthony; O'Higgins, Paul; Evans, Susan E; Fagan, Michael J

    2013-07-01

    Computer-based simulation techniques such as multi-body dynamics analysis are becoming increasingly popular in the field of skull mechanics. Multi-body models can be used for studying the relationships between skull architecture, muscle morphology and feeding performance. However, to be confident in the modelling results, models need to be validated against experimental data, and the effects of uncertainties or inaccuracies in the chosen model attributes need to be assessed with sensitivity analyses. Here, we compare the bite forces predicted by a multi-body model of a lizard (Tupinambis merianae) with in vivo measurements, using anatomical data collected from the same specimen. This subject-specific model predicts bite forces that are very close to the in vivo measurements and also shows a consistent increase in bite force as the bite position is moved posteriorly on the jaw. However, the model is very sensitive to changes in muscle attributes such as fibre length, intrinsic muscle strength and force orientation, with bite force predictions varying considerably when these three variables are altered. We conclude that accurate muscle measurements are crucial to building realistic multi-body models and that subject-specific data should be used whenever possible. PMID:23614944

  19. Causal reasoning with forces

    PubMed Central

    Wolff, Phillip; Barbey, Aron K.

    2015-01-01

    Causal composition allows people to generate new causal relations by combining existing causal knowledge. We introduce a new computational model of such reasoning, the force theory, which holds that people compose causal relations by simulating the processes that join forces in the world, and compare this theory with the mental model theory (Khemlani et al., 2014) and the causal model theory (Sloman et al., 2009), which explain causal composition on the basis of mental models and structural equations, respectively. In one experiment, the force theory was uniquely able to account for people's ability to compose causal relationships from complex animations of real-world events. In three additional experiments, the force theory did as well as or better than the other two theories in explaining the causal compositions people generated from linguistically presented causal relations. Implications for causal learning and the hierarchical structure of causal knowledge are discussed. PMID:25653611

  20. Quantized Casimir force.

    PubMed

    Tse, Wang-Kong; MacDonald, A H

    2012-12-01

    We investigate the Casimir effect between two-dimensional electron systems driven to the quantum Hall regime by a strong perpendicular magnetic field. In the large-separation (d) limit where retardation effects are essential, we find (i) that the Casimir force is quantized in units of 3ħcα(2)/8π(2)d(4) and (ii) that the force is repulsive for mirrors with the same type of carrier and attractive for mirrors with opposite types of carrier. The sign of the Casimir force is therefore electrically tunable in ambipolar materials such as graphene. The Casimir force is suppressed when one mirror is a charge-neutral graphene system in a filling factor ν=0 quantum Hall state. PMID:23368242

  1. Forces in Motion.

    ERIC Educational Resources Information Center

    Goodsell, David; And Others

    1995-01-01

    Describes an activity to give students experience with the variables and forces impacting a moving body on an inclined plane by observing a ball as it rolls down an inclined PVC pipe of fixed length. Includes a student worksheet. (MKR)

  2. Force vs. extension of colloidal membranes

    NASA Astrophysics Data System (ADS)

    Jia, Leroy; Pelcovits, Robert; Powers, Thomas; Zakhary, Mark; Dogic, Zvonimir

    In experiments, disk-shaped colloidal membranes composed of long rod-like viruses will take on a twisted ribbon shape under the application of a diametric stretching force. We use an effective model valid for membranes with small twist penetration to study this phase transition and calculate the force necessary to stretch the membrane to a given extension. The model predicts that for small deformations, the force is linear with spring constant depending on the effective edge bending stiffness of the membrane, while for large extensions, the force is found to saturate to a constant value. Surprisingly, the force is not a monotonic function of the extension. Finally, we use simple numerical calculations to find a power law that accurately describes the critical stretch at which the membrane starts to twist, which may be used to estimate the value of unknown parameters by comparison with experimental data. We are grateful for support from the Brandeis Center for Bioinspired Soft Materials, NSF MRSEC, DMR-1420382.

  3. Labyrinth seal forces on a whirling rotor

    NASA Technical Reports Server (NTRS)

    Wright, D. V.

    1983-01-01

    An experimental investigation of air labyrinth seal forces on a subsynchronously whirling model rotor is described and test results are given for diverging, converging, and straight two-strip seals. The effects of pressure drop, back pressure, whirl direction, and whirl frequency are shown. These results provide basic experimental data needed in the development of design methods for predicting and preventing self-excited whirl of turbine rotors and other machines having labyrinth seals. The total dynamic seal forces on the whirling model rotor are measured accurately by means of a novel active damping and stiffness system that is adjusted to obtain neutral whirl stability of the model rotor system. In addition, the whirling pressure pattern in the seal annulus is measured for a few test conditions and the corresponding pressure forces on the rotor are compared with the total measured forces. This comparison shows that either radial and axial pressure gradients in the seal annulus or drag forces on the rotor are significant.

  4. Strategic forces briefing

    SciTech Connect

    Bing, G.; Chrzanowski, P.; May, M.; Nordyke, M.

    1989-04-06

    The Strategic Forces Briefing'' is our attempt, accomplished over the past several months, to outline and highlight the more significant strategic force issues that must be addressed in the near future. Some issues are recurrent: the need for an effective modernized Triad and a constant concern for force survivability. Some issues derive from arms control: the Strategic Arms Reduction Talks (SALT) are sufficiently advanced to set broad numerical limits on forces, but not so constraining as to preclude choices among weapon systems and deployment modes. Finally, a new administration faced with serious budgetary problems must strive for the most effective strategic forces limited dollars can buy and support. A review of strategic forces logically begins with consideration of the missions the forces are charged with. We begin the briefing with a short review of targeting policy and implementation within the constraints of available unclassified information. We then review each element of the Triad with sections on SLBMs, ICBMs, and Air-Breathing (bomber and cruise missile) systems. A short section at the end deals with the potential impact of strategic defense on offensive force planning. We consider ABM, ASAT, and air defense; but we do not attempt to address the technical issues of strategic defense per se. The final section gives a brief overview of the tritium supply problem. We conclude with a summary of recommendations that emerge from our review. The results of calculation on the effectiveness of various weapon systems as a function of cost that are presented in the briefing are by Paul Chrzanowski.

  5. Force user's manual, revised

    NASA Technical Reports Server (NTRS)

    Jordan, Harry F.; Benten, Muhammad S.; Arenstorf, Norbert S.; Ramanan, Aruna V.

    1987-01-01

    A methodology for writing parallel programs for shared memory multiprocessors has been formalized as an extension to the Fortran language and implemented as a macro preprocessor. The extended language is known as the Force, and this manual describes how to write Force programs and execute them on the Flexible Computer Corporation Flex/32, the Encore Multimax and the Sequent Balance computers. The parallel extension macros are described in detail, but knowledge of Fortran is assumed.

  6. Van der Waals Forces

    NASA Astrophysics Data System (ADS)

    Parsegian, V. Adrian

    2006-03-01

    This should prove to be the definitive work explaining van der Waals forces, how to calculate them and take account of their impact under any circumstances and conditions. These weak intermolecular forces are of truly pervasive impact, and biologists, chemists, physicists and engineers will profit greatly from the thorough grounding in these fundamental forces that this book offers. Parsegian has organized his book at three successive levels of mathematical sophistication, to satisfy the needs and interests of readers at all levels of preparation. The Prelude and Level 1 are intended to give everyone an overview in words and pictures of the modern theory of van der Waals forces. Level 2 gives the formulae and a wide range of algorithms to let readers compute the van der Waals forces under virtually any physical or physiological conditions. Level 3 offers a rigorous basic formulation of the theory. Author is among the most highly respected biophysicists Van der Waals forces are significant for a wide range of questions and problems in the life sciences, chemistry, physics, and engineering, ranging up to the macro level No other book that develops the subject vigorously, and this book also makes the subject intuitively accessible to students who had not previously been mathematically sophisticated enough to calculate them

  7. Optical Bernoulli forces

    NASA Astrophysics Data System (ADS)

    Movassagh, Ramis; Johnson, Steven G.

    2013-08-01

    By Bernoulli's law, an increase in the relative speed of a fluid around a body is accompanied by a decrease in the pressure. Therefore, a rotating body in a fluid stream experiences a force perpendicular to the motion of the fluid because of the unequal relative speed of the fluid across its surface. It is well known that light has a constant speed irrespective of the relative motion. Does a rotating body immersed in a stream of photons experience a Bernoulli-like force? We show that, indeed, a rotating dielectric cylinder experiences such a lateral force from an electromagnetic wave. In fact, the sign of the lateral force is the same as that of the fluid-mechanical analog as long as the electric susceptibility is positive (ɛ>ɛ0), but for negative-susceptibility materials (e.g., metals) we show that the lateral force is in the opposite direction. Because these results are derived from a classical electromagnetic scattering problem, Mie-resonance enhancements that occur in other scattering phenomena also enhance the lateral force.

  8. Intermolecular and interfacial forces: Elucidating molecular mechanisms using chemical force microscopy

    NASA Astrophysics Data System (ADS)

    Ashby, Paul David

    Investigation into the origin of forces dates to the early Greeks. Yet, only in recent decades have techniques for elucidating the molecular origin of forces been developed. Specifically, Chemical Force Microscopy uses the high precision and nanometer scale probe of Atomic Force Microscopy to measure molecular and interfacial interactions. This thesis presents the development of many novel Chemical Force Microscopy techniques for measuring equilibrium and time-dependant force profiles of molecular interactions, which led to a greater understanding of the origin of interfacial forces in solution. In chapter 2, Magnetic Feedback Chemical Force Microscopy stiffens the cantilever for measuring force profiles between self-assembled monolayer (SAM) surfaces. Hydroxyl and carboxyl terminated SAMs produce long-range interactions that extend one or three nanometers into the solvent, respectively. In chapter 3, an ultra low noise AFM is produced through multiple modifications to the optical deflection detection system and signal processing electronics. In chapter 4, Brownian Force Profile Reconstruction is developed for accurate measurement of steep attractive interactions. Molecular ordering is observed for OMCTS, 1-nonanol, and water near flat surfaces. The molecular ordering of the solvent produces structural or solvation forces, providing insight into the orientation and possible solidification of the confined solvent. Seven molecular layers of OMCTS are observed but the oil remains fluid to the last layer. 1-nonanol strongly orders near the surface and becomes quasi-crystalline with four layers. Water is oriented by the surface and symmetry requires two layers of water (3.7 A) to be removed simultaneously. In chapter 5, electronic control of the cantilever Q (Q-control) is used to obtain the highest imaging sensitivity. In chapter 6, Energy Dissipation Chemical Force Microscopy is developed to investigate the time dependence and dissipative characteristics of SAM

  9. On averaging force curves over heterogeneous surfaces in atomic force microscopy.

    PubMed

    Sokolov, I; Kalaparthi, V; Kreshchuk, M; Dokukin, M E

    2012-10-01

    Atomic force microscopy (AFM) can be used to study mechanics at the nanoscale. Biological surfaces and nanocomposites have typically heterogeneous surfaces, both mechanically and chemically. When studying such surfaces with AFM, one needs to collect a large amount of data to make statistically sound conclusions. It is time- and resource-consuming to process each force curve separately. The analysis of an averaged raw force data is a simple and time saving option, which also averages out the noise and measurement artifacts of the force curves being analyzed. Moreover, some biomedical applications require just an average number per biological cell. Here we investigate such averaging, study the possible artifacts due to the averaging, and demonstrate how to minimize or even to avoid them. We analyze two ways of doing the averaging: over the force data for each particular distance (method 1, the most commonly used way), and over the distances for each particular force (method 2). We derive the errors of the methods in finding to the true average rigidity modulus. We show that both methods are accurate (the error is <2%) when the heterogeneity of the surface rigidity is small (<50%). When the heterogeneity is large (>100×), method 2 underestimates the average rigidity modulus by a factor of 2, whereas the error of method 1 is only 15%. However, when analyzing the different surface chemistry, which reveals itself in the changing long-range forces, the accuracy of the methods behave oppositely: method 1 can produce a noticeable averaging artifact in the deriving of the long-range forces; whereas method 2 can be successfully used to derive the averaged long-range force parameters without artifacts. We exemplify our conclusions by the study of human cervical cancer and normal epithelial cells, which demonstrate different degrees of heterogeneity. PMID:22917859

  10. Lenz's Law: Feel the Force.

    ERIC Educational Resources Information Center

    Sawicki, Charles A.

    1996-01-01

    Describes a simple, inexpensive system that allows students to have hands-on contact with simple experiments involving forces generated by induced currents. Discusses the use of a dynamic force sensor in making quantitative measurements of the forces generated. (JRH)

  11. Surgical force detection probe

    NASA Technical Reports Server (NTRS)

    Tcheng, Ping; Roberts, Paul; Scott, Charles; Prass, Richard

    1991-01-01

    The development progress of a precision electro-mechanical instrument which allows the detection and documentation of the forces and moment applied to human tissue during surgery (under actual operation room conditions), is reported. The pen-shaped prototype probe which measures 1/2 inch in diameter and 7 inches in length was fabricated using an aerodynamic balance. The aerodynamic balance, a standard wind tunnel force and moment sensing transducer, measures the forces and the moments transmitted through the surgeon's hand to the human tissue during surgery. The prototype probe which was fabricated as a development tool was tested successfully. The final version of the surgical force detection probe will be designed based on additional laboratory tests in order to establish the full scale loads. It is expected that the final product will require a simplified aerodynamic balance with two or three force components and one moment component with lighter full scale loads. A signal conditioner was fabricated to process and display the outputs from the prototype probe. This unit will be interfaced with a PC-based data system to provide automatic data acquisition, data processing, and graphics display. The expected overall accuracy of the probe is better than one percent full scale.

  12. Radiative Forcing by Contrails

    NASA Technical Reports Server (NTRS)

    Meerkoetter, R.; Schumann, U.; Doelling, D. R.; Nakajima, T.; Tsushima, Y.

    1999-01-01

    A parametric study of the instantaneous radiative impact of contrails is presented using three different radiative transfer models for a series of model atmospheres and cloud parameters. Contrails are treated as geometrically and optically thin plane parallel homogeneous cirrus layers in a static atmospheres The ice water content is varied as a function of ambient temperature. The model atmospheres include tropical, mid-latitude, and subarctic summer and winter atmospheres Optically thin contrails cause a positive net forcing at top of the atmosphere. At the surface the radiative forcing is negative during daytime. The forcing increases with the optical depth and the amount of contrail cover. At the top of the atmosphere a mean contrail cover of 0.1% with average optical depth of 0.2 to 0.5 causes about 0.01 to 0.03 W/m(exp 2)a daily mean instantaneous radiative forcing. Contrails cool the surface during the day and heat the surface during the night, and hence reduce the daily temperature amplitude The net effect depends strongly on the daily variation of contrail cloud cover. The indirect radiative forcing due to particle changes in natural cirrus clouds may be of the same magnitude as the direct one due to additional cover.

  13. FASTSIM2: a second-order accurate frictional rolling contact algorithm

    NASA Astrophysics Data System (ADS)

    Vollebregt, E. A. H.; Wilders, P.

    2011-01-01

    In this paper we consider the frictional (tangential) steady rolling contact problem. We confine ourselves to the simplified theory, instead of using full elastostatic theory, in order to be able to compute results fast, as needed for on-line application in vehicle system dynamics simulation packages. The FASTSIM algorithm is the leading technology in this field and is employed in all dominant railway vehicle system dynamics packages (VSD) in the world. The main contribution of this paper is a new version "FASTSIM2" of the FASTSIM algorithm, which is second-order accurate. This is relevant for VSD, because with the new algorithm 16 times less grid points are required for sufficiently accurate computations of the contact forces. The approach is based on new insights in the characteristics of the rolling contact problem when using the simplified theory, and on taking precise care of the contact conditions in the numerical integration scheme employed.

  14. Chemically accurate description of aromatic rings interaction using quantum Monte Carlo

    NASA Astrophysics Data System (ADS)

    Azadi, Sam

    We present an accurate study of interactions between benzene molecules using wave function based quantum Monte Carlo (QMC) methods. We compare our QMC results with density functional theory (DFT) using various van der Waals (vdW) functionals. This comparison enables us to tune vdW functionals. We show that highly optimizing the wave function and introducing more dynamical correlation into the wave function are crucial to calculate the weak chemical binding energy between benzene molecules. The good agreement among our results, experiments and quantum chemistry methods, is an important sign of the capability of the wave function based QMC methods to provide accurate description of very weak intermolecular interactions based on vdW dispersive forces.

  15. JCZS: An Intermolecular Potential Database for Performing Accurate Detonation and Expansion Calculations

    SciTech Connect

    Baer, M.R.; Hobbs, M.L.; McGee, B.C.

    1998-11-03

    Exponential-13,6 (EXP-13,6) potential pammeters for 750 gases composed of 48 elements were determined and assembled in a database, referred to as the JCZS database, for use with the Jacobs Cowperthwaite Zwisler equation of state (JCZ3-EOS)~l) The EXP- 13,6 force constants were obtained by using literature values of Lennard-Jones (LJ) potential functions, by using corresponding states (CS) theory, by matching pure liquid shock Hugoniot data, and by using molecular volume to determine the approach radii with the well depth estimated from high-pressure isen- tropes. The JCZS database was used to accurately predict detonation velocity, pressure, and temperature for 50 dif- 3 Accurate predictions were also ferent explosives with initial densities ranging from 0.25 glcm3 to 1.97 g/cm . obtained for pure liquid shock Hugoniots, static properties of nitrogen, and gas detonations at high initial pressures.

  16. Analyses of hydrodynamic radial forces on centrifugal pump impellers

    NASA Technical Reports Server (NTRS)

    Adkins, D. R.; Brennen, C. E.

    1988-01-01

    An experimental and theoretical study of the hydrodynamic interactions occurring between a centrifugal pump impeller and a volute is presented. The theoretical analysis provides a quasi-one-dimensional treatment of the flow in the volute, and it is extended to include the hydrodynamic force perturbations caused by the impeller whirling eccentrically in the volute. It is noted that these perturbations are often destabilizing. The theoretical models were found to accurately predict the radial forces caused by the flow through the impeller. The pressure acting on the front shroud of the impeller is shown to have a significant effect on the destabilizing hydrodyamic forces.

  17. Finite element modeling and experimentation of bone drilling forces

    NASA Astrophysics Data System (ADS)

    Lughmani, W. A.; Bouazza-Marouf, K.; Ashcroft, I.

    2013-07-01

    Bone drilling is an essential part of many orthopaedic surgery procedures, including those for internal fixation and for attaching prosthetics. Estimation and control of bone drilling forces are critical to prevent drill breakthrough, excessive heat generation, and mechanical damage to the bone. This paper presents a 3D finite element (FE) model for prediction of thrust forces experienced during bone drilling. The model incorporates the dynamic characteristics involved in the process along with the accurate geometrical considerations. The average critical thrust forces and torques obtained using FE analysis, for set of machining parameters are found to be in good agreement with the experimental results.

  18. A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field.

    PubMed

    Devereux, Mike; Gresh, Nohad; Piquemal, Jean-Philip; Meuwly, Markus

    2014-08-01

    A supervised, semiautomated approach to force field parameter fitting is described and applied to the SIBFA polarizable force field. The I-NoLLS interactive, nonlinear least squares fitting program is used as an engine for parameter refinement while keeping parameter values within a physical range. Interactive fitting is shown to avoid many of the stability problems that frequently afflict highly correlated, nonlinear fitting problems occurring in force field parametrizations. The method is used to obtain parameters for the H2O, formamide, and imidazole molecular fragments and their complexes with the Mg(2+) cation. Reference data obtained from ab initio calculations using an auc-cc-pVTZ basis set exploit advances in modern computer hardware to provide a more accurate parametrization of SIBFA than has previously been available. PMID:24965869

  19. Linear force device

    NASA Technical Reports Server (NTRS)

    Clancy, John P.

    1988-01-01

    The object of the invention is to provide a mechanical force actuator which is lightweight and manipulatable and utilizes linear motion for push or pull forces while maintaining a constant overall length. The mechanical force producing mechanism comprises a linear actuator mechanism and a linear motion shaft mounted parallel to one another. The linear motion shaft is connected to a stationary or fixed housing and to a movable housing where the movable housing is mechanically actuated through actuator mechanism by either manual means or motor means. The housings are adapted to releasably receive a variety of jaw or pulling elements adapted for clamping or prying action. The stationary housing is adapted to be pivotally mounted to permit an angular position of the housing to allow the tool to adapt to skewed interfaces. The actuator mechanisms is operated by a gear train to obtain linear motion of the actuator mechanism.

  20. Carbohydrate force fields

    PubMed Central

    Foley, B. Lachele; Tessier, Matthew B.; Woods, Robert J.

    2014-01-01

    Carbohydrates present a special set of challenges to the generation of force fields. First, the tertiary structures of monosaccharides are complex merely by virtue of their exceptionally high number of chiral centers. In addition, their electronic characteristics lead to molecular geometries and electrostatic landscapes that can be challenging to predict and model. The monosaccharide units can also interconnect in many ways, resulting in a large number of possible oligosaccharides and polysaccharides, both linear and branched. These larger structures contain a number of rotatable bonds, meaning they potentially sample an enormous conformational space. This article briefly reviews the history of carbohydrate force fields, examining and comparing their challenges, forms, philosophies, and development strategies. Then it presents a survey of recent uses of these force fields, noting trends, strengths, deficiencies, and possible directions for future expansion. PMID:25530813

  1. Screening fifth forces in generalized Proca theories

    NASA Astrophysics Data System (ADS)

    De Felice, Antonio; Heisenberg, Lavinia; Kase, Ryotaro; Tsujikawa, Shinji; Zhang, Ying-li; Zhao, Gong-Bo

    2016-05-01

    For a massive vector field with derivative self-interactions, the breaking of the gauge invariance allows the propagation of a longitudinal mode in addition to the two transverse modes. We consider generalized Proca theories with second-order equations of motion in a curved space-time and study how the longitudinal scalar mode of the vector field gravitates on a spherically symmetric background. We show explicitly that cubic-order self-interactions lead to the suppression of the longitudinal mode through the Vainshtein mechanism. Provided that the dimensionless coupling of the interaction is not negligible, this screening mechanism is sufficiently efficient to give rise to tiny corrections to gravitational potentials consistent with solar-system tests of gravity. We also study the quartic interactions with the presence of nonminimal derivative coupling with the Ricci scalar and find the existence of solutions where the longitudinal mode completely vanishes. Finally, we discuss the case in which the effect of the quartic interactions dominates over the cubic one and show that local gravity constraints can be satisfied under a mild bound on the parameters of the theory.

  2. Nonlinear Aeroelastic Analysis Using a Time-Accurate Navier-Stokes Equations Solver

    NASA Technical Reports Server (NTRS)

    Kuruvila, Geojoe; Bartels, Robert E.; Hong, Moeljo S.; Bhatia, G.

    2007-01-01

    A method to simulate limit cycle oscillation (LCO) due to control surface freeplay using a modified CFL3D, a time-accurate Navier-Stokes computational fluid dynamics (CFD) analysis code with structural modeling capability, is presented. This approach can be used to analyze aeroelastic response of aircraft with structural behavior characterized by nonlinearity in the force verses displacement curve. A limited validation of the method, using very low Mach number experimental data for a three-degrees-of-freedom (pitch/plunge/flap deflection) airfoil model with flap freeplay, is also presented.

  3. Designer cantilevers for even more accurate quantitative measurements of biological systems with multifrequency AFM

    NASA Astrophysics Data System (ADS)

    Contera, S.

    2016-04-01

    Multifrequency excitation/monitoring of cantilevers has made it possible both to achieve fast, relatively simple, nanometre-resolution quantitative mapping of mechanical of biological systems in solution using atomic force microscopy (AFM), and single molecule resolution detection by nanomechanical biosensors. A recent paper by Penedo et al [2015 Nanotechnology 26 485706] has made a significant contribution by developing simple methods to improve the signal to noise ratio in liquid environments, by selectively enhancing cantilever modes, which will lead to even more accurate quantitative measurements.

  4. CAST: a new program package for the accurate characterization of large and flexible molecular systems.

    PubMed

    Grebner, Christoph; Becker, Johannes; Weber, Daniel; Bellinger, Daniel; Tafipolski, Maxim; Brückner, Charlotte; Engels, Bernd

    2014-09-15

    The presented program package, Conformational Analysis and Search Tool (CAST) allows the accurate treatment of large and flexible (macro) molecular systems. For the determination of thermally accessible minima CAST offers the newly developed TabuSearch algorithm, but algorithms such as Monte Carlo (MC), MC with minimization, and molecular dynamics are implemented as well. For the determination of reaction paths, CAST provides the PathOpt, the Nudge Elastic band, and the umbrella sampling approach. Access to free energies is possible through the free energy perturbation approach. Along with a number of standard force fields, a newly developed symmetry-adapted perturbation theory-based force field is included. Semiempirical computations are possible through DFTB+ and MOPAC interfaces. For calculations based on density functional theory, a Message Passing Interface (MPI) interface to the Graphics Processing Unit (GPU)-accelerated TeraChem program is available. The program is available on request. PMID:25056524

  5. [Forced spirometry procedure].

    PubMed

    Cortés Aguilera, Antonio Javier

    2008-11-01

    Forced spirometry consists in a complementary test which is carried out in a health office in a workplace in order to determine the lung capacity of workers exposed to determined professional risks or those susceptible to determined working conditions which could lead to the development of respiratory problems. This test has been developed based on health vigilance laws under Article 22 of the Law for Prevention of Risks in the Workplace and requires that the technician, a nurse in a workplace, who performs it have some knowledge and skills regarding its use, following the norms for forced spirometry set by the Spanish Association for Pneumatology and Thoracic Surgery (SEPAR). PMID:19203116

  6. Air Force Seal Programs

    NASA Technical Reports Server (NTRS)

    Mayhew, Ellen R.

    1996-01-01

    Seal technology development is an important part of the Air Force's participation in the Integrated High Performance Turbine Engine Technology (IHPTET) initiative, the joint DOD, NASA, ARPA, and industry endeavor to double turbine engine capabilities by the turn of the century. Significant performance and efficiency improvements can be obtained through reducing internal flow system leakage, but seal environment requirements continue to become more extreme as the engine thermodynamic cycles advance towards these IHPTET goals. Seal technology continues to be pursued by the Air Force to control leakage at the required conditions. This presentation briefly describes current seal research and development programs and gives a summary of seal applications in demonstrator and developmental engines.

  7. Force field development from first principles for materials design

    NASA Astrophysics Data System (ADS)

    Chan, Maria; Kinaci, Alper; Narayanan, Badri; Sen, Fatih; Gray, Stephen; Davis, Michael; Sankaranaryanan, Subramanian

    2015-03-01

    The ability to perform accurate calculations efficiently is crucial for computational materials design. In this talk, we will discuss a stream-lined approach to force field development using first principles density functional theory training data and machine learning algorithms. We will also discuss the validation of this approach on precious metal nanoparticles.

  8. Analyzing Forces on Amusement Park Rides with Mobile Devices

    ERIC Educational Resources Information Center

    Vieyra, Rebecca E.; Vieyra, Chrystian

    2014-01-01

    Mobile device accelerometers are a simple and easy way for students to collect accurate and detailed data on an amusement park ride. The resulting data can be graphed to assist in the creation of force diagrams to help students explain their physical sensations while on the ride. This type of activity can help students overcome some of the…

  9. A canonical approach to forces in molecules

    NASA Astrophysics Data System (ADS)

    Walton, Jay R.; Rivera-Rivera, Luis A.; Lucchese, Robert R.; Bevan, John W.

    2016-08-01

    In previous studies, we introduced a generalized formulation for canonical transformations and spectra to investigate the concept of canonical potentials strictly within the Born-Oppenheimer approximation. Data for the most accurate available ground electronic state pairwise intramolecular potentials in H2+, H2, HeH+, and LiH were used to rigorously establish such conclusions. Now, a canonical transformation is derived for the molecular force, F(R), with H2+ as molecular reference. These transformations are demonstrated to be inherently canonical to high accuracy but distinctly different from those corresponding to the respective potentials of H2, HeH+, and LiH. In this paper, we establish the canonical nature of the molecular force which is key to fundamental generalization of canonical approaches to molecular bonding. As further examples Mg2, benzene dimer and to water dimer are also considered within the radial limit as applications of the current methodology.

  10. Casimir-Polder Force Reversal with Metamaterials

    NASA Astrophysics Data System (ADS)

    Pappakrishnan, Venkatesh; Genov, Dentcho

    2010-10-01

    A promising system design aiming to demonstrate Casimir-Polder force (CPF) reversal is proposed. The constraints when using naturally available materials in designing the system with air as an intermediate medium is resolved by using artificial electromagnetic materials. The parametric space in terms of the plate's magnetic and dielectric plasma frequencies, gap thickness and temperature is investigated. The parametric domain for achieving CPF reversal is obtained. Furthermore, a simple analytical expression for the CPF is derived. The analytical expression accurately describes the large and short distance asymptotics and allows extraction of important parameters such as lower and upper cutoff gap distances that define the repulsive force window. This study could possibly lead us to design of quantum levitation system, frictionless bio-fluid transport devices, etc.

  11. 78 FR 34604 - Submitting Complete and Accurate Information

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-10

    ... COMMISSION 10 CFR Part 50 Submitting Complete and Accurate Information AGENCY: Nuclear Regulatory Commission... accurate information as would a licensee or an applicant for a license.'' DATES: Submit comments by August... may submit comments by any of the following methods (unless this document describes a different...

  12. Tube dimpling tool assures accurate dip-brazed joints

    NASA Technical Reports Server (NTRS)

    Beuyukian, C. S.; Heisman, R. M.

    1968-01-01

    Portable, hand-held dimpling tool assures accurate brazed joints between tubes of different diameters. Prior to brazing, the tool performs precise dimpling and nipple forming and also provides control and accurate measuring of the height of nipples and depth of dimples so formed.

  13. 31 CFR 205.24 - How are accurate estimates maintained?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false How are accurate estimates maintained... Treasury-State Agreement § 205.24 How are accurate estimates maintained? (a) If a State has knowledge that an estimate does not reasonably correspond to the State's cash needs for a Federal assistance...

  14. Radiative Forcing of Climate Change

    SciTech Connect

    Ramaswamy, V.; Boucher, Olivier; Haigh, J.; Hauglustaine, D.; Haywood, J.; Myhre, G.; Nakajima, Takahito; Shi, Guangyu; Solomon, S.; Betts, Robert E.; Charlson, R.; Chuang, C. C.; Daniel, J. S.; Del Genio, Anthony D.; Feichter, J.; Fuglestvedt, J.; Forster, P. M.; Ghan, Steven J.; Jones, A.; Kiehl, J. T.; Koch, D.; Land, C.; Lean, J.; Lohmann, Ulrike; Minschwaner, K.; Penner, Joyce E.; Roberts, D. L.; Rodhe, H.; Roelofs, G.-J.; Rotstayn, Leon D.; Schneider, T. L.; Schumann, U.; Schwartz, Stephen E.; Schwartzkopf, M. D.; Shine, K. P.; Smith, Steven J.; Stevenson, D. S.; Stordal, F.; Tegen, I.; van Dorland, R.; Zhang, Y.; Srinivasan, J.; Joos, Fortunat

    2001-10-01

    Chapter 6 of the IPCC Third Assessment Report Climate Change 2001: The Scientific Basis. Sections include: Executive Summary 6.1 Radiative Forcing 6.2 Forcing-Response Relationship 6.3 Well-Mixed Greenhouse Gases 6.4 Stratospheric Ozone 6.5 Radiative Forcing By Tropospheric Ozone 6.6 Indirect Forcings due to Chemistry 6.7 The Direct Radiative Forcing of Tropospheric Aerosols 6.8 The Indirect Radiative Forcing of Tropospheric Aerosols 6.9 Stratospheric Aerosols 6.10 Land-use Change (Surface Albedo Effect) 6.11 Solar Forcing of Climate 6.12 Global Warming Potentials hydrocarbons 6.13 Global Mean Radiative Forcings 6.14 The Geographical Distribution of the Radiative Forcings 6.15 Time Evolution of Radiative Forcings Appendix 6.1 Elements of Radiative Forcing Concept References.

  15. A cricoid cartilage compression device for the accurate and reproducible application of cricoid pressure.

    PubMed

    Taylor, R J; Smurthwaite, G; Mehmood, I; Kitchen, G B; Baker, R D

    2015-01-01

    We describe the development and laboratory assessment of a refined prototype tactile feedback device for the safe and accurate application of cricoid pressure. We recruited 20 operating department practitioners and compared their performance of cricoid pressure on a training simulator using both the device and a manual unaided technique. The device significantly reduced the spread of the applied force: average (SE) root mean squared error decreased from 8.23 (0.48) N to 5.23 (0.32) N (p < 0.001). The average (SE) upwards bias in applied force also decreased, from 2.30 (0.74) N to 0.88 (0.48) N (p < 0.01). Most importantly, the percentage of force applications that deviated from target by more than 10 N decreased from 18% to 7% (p < 0.01). The device requires no prior training, is cheap to manufacture, is single-use and requires no power to operate, whilst ensuring that the correct force is always consistently applied. PMID:25267415

  16. Casimir force and in situ surface potential measurements on nanomembranes.

    PubMed

    Garcia-Sanchez, Daniel; Fong, King Yan; Bhaskaran, Harish; Lamoreaux, Steve; Tang, Hong X

    2012-07-13

    We present Casimir force measurements in a sphere-plate configuration that consists of a high quality nanomembrane resonator and a millimeter sized gold coated sphere. The nanomembrane is fabricated from stoichiometric silicon nitride metallized with gold. A Kelvin probe method is used in situ to image the surface potentials to minimize the distance-dependent residual force. Resonance-enhanced frequency-domain measurements of the nanomembrane motion allow for very high resolution measurements of the Casimir force gradient (down to a force gradient sensitivity of 3  μN/m). Using this technique, the Casimir force in the range of 100 nm to 2  μm is accurately measured. Experimental data thus obtained indicate that the device system in the measured range is best described with the Drude model. PMID:23030202

  17. Accurate physical laws can permit new standard units: The two laws F→=ma→ and the proportionality of weight to mass

    NASA Astrophysics Data System (ADS)

    Saslow, Wayne M.

    2014-04-01

    Three common approaches to F→=ma→ are: (1) as an exactly true definition of force F→ in terms of measured inertial mass m and measured acceleration a→; (2) as an exactly true axiom relating measured values of a→, F→ and m; and (3) as an imperfect but accurately true physical law relating measured a→ to measured F→, with m an experimentally determined, matter-dependent constant, in the spirit of the resistance R in Ohm's law. In the third case, the natural units are those of a→ and F→, where a→ is normally specified using distance and time as standard units, and F→ from a spring scale as a standard unit; thus mass units are derived from force, distance, and time units such as newtons, meters, and seconds. The present work develops the third approach when one includes a second physical law (again, imperfect but accurate)—that balance-scale weight W is proportional to m—and the fact that balance-scale measurements of relative weight are more accurate than those of absolute force. When distance and time also are more accurately measurable than absolute force, this second physical law permits a shift to standards of mass, distance, and time units, such as kilograms, meters, and seconds, with the unit of force—the newton—a derived unit. However, were force and distance more accurately measurable than time (e.g., time measured with an hourglass), this second physical law would permit a shift to standards of force, mass, and distance units such as newtons, kilograms, and meters, with the unit of time—the second—a derived unit. Therefore, the choice of the most accurate standard units depends both on what is most accurately measurable and on the accuracy of physical law.

  18. Longwave radiative forcing by aqueous aerosols

    SciTech Connect

    Gaffney, J.S.; Marley, N.A.

    1995-01-01

    Recently, a great deal of interest has been focused on the role of aerosols in climatic change because of their potential cooling impacts due to light scattering. Recent advances in infrared spectroscopy using cylindrical internal reflectance have allowed the longwave absorption of dissolved aerosol species and the associated liquid water to be accurately determined and evaluated. Experimental measurements using these techniques have shown that dissolved sulfate, nitrate, and numerous other aerosol species will act to cause greenhouse effects. Preliminary calculations indicate that the longwave climate forcing (i.e., heating) for sulfate aerosol will be comparable in magnitude to the cooling effect produced by light scattering. However, more detailed modeling will clearly be needed to address the impact of the longwave forcing due to aerosols as a function of atmospheric height and composition. Their work has shown that aerosol composition will be important in determining longwave forcing, while shortwave forcing will be more related to the physical size of the aerosol droplets. On the basis of these studies, it is increasingly apparent that aerosols, fogs, and clouds play a key role in determining the radiative balance of the atmosphere and in controlling regional and global climates.

  19. The Force of Ideas

    ERIC Educational Resources Information Center

    Ascher, Carol

    2005-01-01

    "The Force of Ideas" describes a little-known aspect of both educational history and Viennese psychoanalysis during the interwar years: the movement for psychoanalytic pedagogy. The author traces her father's own story, beginning with his application to the Vienna Psychoanalytic Society for training as a psychoanalytic pedagogue, as a way to…

  20. Unification of Fundamental Forces

    NASA Astrophysics Data System (ADS)

    Salam, Abdus; Taylor, Foreword by John C.

    2005-10-01

    Foreword John C. Taylor; 1. Unification of fundamental forces Abdus Salam; 2. History unfolding: an introduction to the two 1968 lectures by W. Heisenberg and P. A. M. Dirac Abdus Salam; 3. Theory, criticism, and a philosophy Werner Heisenberg; 4. Methods in theoretical physics Paul Adrian Maurice Dirac.

  1. Reduction in Force.

    ERIC Educational Resources Information Center

    Wood, R. Craig

    This chapter of "Principles of School Business Management" reviews several concerns that must be addressed by school business administrators in districts facing declining enrollments and the need for reductions in force. The chapter first looks at the business administrator's significant role in planning for retrenchment. The chapter then…

  2. Reduction in Force.

    ERIC Educational Resources Information Center

    Phay, Robert

    Chapter 2 in a book on school law discusses the reasons for reduction in force (RIF) and presents a set of model regulations for school districts as the best means of minimizing legal problems resulting from RIF. The reasons for RIF include declining student enrollments; reduced turnover among teachers; changes in programs; and more constrained…

  3. Wearing Forces Spectacles

    ERIC Educational Resources Information Center

    Perrin, Graham

    2012-01-01

    When providing training to teachers struggling with the concept of forces, the author encourages them to start with something within the experience of the children they are teaching. For example, show them photographs taken on windy days, such as that of a tree, and ask them to explain what is happening. This encourages the children to focus on…

  4. Forces in nonlinear media

    NASA Astrophysics Data System (ADS)

    Milgrom, Mordehai

    2002-02-01

    I investigate the properties of forces on bodies in theories governed by the generalized Poisson equation μ(|ϕ| /a0)ϕ] ∝ Gρ, for the potential ϕ produced by a distribution of sources ρ. This equation describes, inter alia, media with a response coefficient, μ, that depends on the field strength, such as in nonlinear, dielectric or diamagnetic, media; nonlinear transport problems with field-strength-dependent conductivity or diffusion coefficient; nonlinear electrostatics, as in the Born-Infeld theory; certain stationary potential flows in compressible fluids, in which case the forces act on sources or obstacles in the flow. The expressions for the force on a point charge are derived exactly for the limits of very low and very high charge. The force on an arbitrary body in an external field of asymptotically constant gradient, -g0, is shown to be F = Qg0, where Q is the total effective charge of the body. The corollary Q = 0 → F = 0 is a generalization of d'Alembert's paradox. I show that for G > 0 (as in Newtonian gravity) two point charges of the same (opposite) sign still attract (repel). The opposite is true for G < 0. I discuss its generalization to extended bodies and derive virial relations.

  5. Force limited vibration testing

    NASA Technical Reports Server (NTRS)

    Scharton, Terry D.

    1991-01-01

    A new method of conducting lab vibration tests of spacecraft equipment was developed to more closely simulate the vibration environment experienced when the spacecraft is launched on a rocket. The improved tests are tailored to identify equipment design and workmanship problems without inducing artificial failures that would not have occurred at launch. These new, less destructive types of vibration tests are essential to JPL's protoflight test approach in which lab testing is conducted using the flight equipment, often one of a kind, to save time and money. In conventional vibration tests, only the input vibratory motion is specified; the feedback, or reaction force, between the test item and the vibration machine is ignored. Most test failures occur when the test item goes into resonance, and the reaction force becomes very large. It has long been recognized that the large reaction force is a test artifact which does not occur with the lightweight, flexible mounting structures characteristic of spacecraft and space vehicles. In new vibration tests, both the motion and the force provided to the test item by the vibration machine are controlled, so that the vibration ride experienced by the test item is as in flight.

  6. Direct Aerosol Forcing Uncertainty

    DOE Data Explorer

    Mccomiskey, Allison

    2008-01-15

    Understanding sources of uncertainty in aerosol direct radiative forcing (DRF), the difference in a given radiative flux component with and without aerosol, is essential to quantifying changes in Earth's radiation budget. We examine the uncertainty in DRF due to measurement uncertainty in the quantities on which it depends: aerosol optical depth, single scattering albedo, asymmetry parameter, solar geometry, and surface albedo. Direct radiative forcing at the top of the atmosphere and at the surface as well as sensitivities, the changes in DRF in response to unit changes in individual aerosol or surface properties, are calculated at three locations representing distinct aerosol types and radiative environments. The uncertainty in DRF associated with a given property is computed as the product of the sensitivity and typical measurement uncertainty in the respective aerosol or surface property. Sensitivity and uncertainty values permit estimation of total uncertainty in calculated DRF and identification of properties that most limit accuracy in estimating forcing. Total uncertainties in modeled local diurnally averaged forcing range from 0.2 to 1.3 W m-2 (42 to 20%) depending on location (from tropical to polar sites), solar zenith angle, surface reflectance, aerosol type, and aerosol optical depth. The largest contributor to total uncertainty in DRF is usually single scattering albedo; however decreasing measurement uncertainties for any property would increase accuracy in DRF. Comparison of two radiative transfer models suggests the contribution of modeling error is small compared to the total uncertainty although comparable to uncertainty arising from some individual properties.

  7. The Dynamic Force Table

    ERIC Educational Resources Information Center

    Geddes, John B.; Black, Kelly

    2008-01-01

    We examine an experimental apparatus that is used to motivate the connections between the basic properties of vectors, potential functions, systems of nonlinear equations, and Newton's method for nonlinear systems of equations. The apparatus is an adaptation of a force table where we remove the center-pin and allow the center-ring to move freely.…

  8. Mining Task Force Report.

    ERIC Educational Resources Information Center

    Saskatchewan Inst. of Applied Science and Technology, Saskatoon.

    In fall 1988, the Board of Directors of the Saskatchewan Institute of Applied Science and Technology (SIAST) created a task force to study the training needs of the mining industry in the province and evaluate SIAST's responsiveness to those needs. After assessing the technological changes taking place in the industry, surveying manpower needs,…

  9. Lorentz force particle analyzer

    NASA Astrophysics Data System (ADS)

    Wang, Xiaodong; Thess, André; Moreau, René; Tan, Yanqing; Dai, Shangjun; Tao, Zhen; Yang, Wenzhi; Wang, Bo

    2016-07-01

    A new contactless technique is presented for the detection of micron-sized insulating particles in the flow of an electrically conducting fluid. A transverse magnetic field brakes this flow and tends to become entrained in the flow direction by a Lorentz force, whose reaction force on the magnetic-field-generating system can be measured. The presence of insulating particles suspended in the fluid produce changes in this Lorentz force, generating pulses in it; these pulses enable the particles to be counted and sized. A two-dimensional numerical model that employs a moving mesh method demonstrates the measurement principle when such a particle is present. Two prototypes and a three-dimensional numerical model are used to demonstrate the feasibility of a Lorentz force particle analyzer (LFPA). The findings of this study conclude that such an LFPA, which offers contactless and on-line quantitative measurements, can be applied to an extensive range of applications. These applications include measurements of the cleanliness of high-temperature and aggressive molten metal, such as aluminum and steel alloys, and the clean manufacturing of semiconductors.

  10. Force-stabilizing synergies in motor tasks involving two actors.

    PubMed

    Solnik, Stanislaw; Reschechtko, Sasha; Wu, Yen-Hsun; Zatsiorsky, Vladimir M; Latash, Mark L

    2015-10-01

    We investigated the ability of two persons to produce force-stabilizing synergies in accurate multi-finger force production tasks under visual feedback on the total force only. The subjects produced a time profile of total force (the sum of two hand forces in one-person tasks and the sum of two subject forces in two-person tasks) consisting of a ramp-up, steady-state, and ramp-down segments; the steady-state segment was interrupted in the middle by a quick force pulse. Analyses of the structure of inter-trial finger force variance, motor equivalence, anticipatory synergy adjustments (ASAs), and the unintentional drift of the sharing pattern were performed. The two-person performance was characterized by a dramatically higher amount of inter-trial variance that did not affect total force, higher finger force deviations that did not affect total force (motor equivalent deviations), shorter ASAs, and larger drift of the sharing pattern. The rate of sharing pattern drift correlated with the initial disparity between the forces produced by the two persons (or two hands). The drift accelerated following the quick force pulse. Our observations show that sensory information on the task-specific performance variable is sufficient for the organization of performance-stabilizing synergies. They suggest, however, that two actors are less likely to follow a single optimization criterion as compared to a single performer. The presence of ASAs in the two-person condition might reflect fidgeting by one or both of the subjects. We discuss the characteristics of the drift in the sharing pattern as reflections of different characteristic times of motion within the subspaces that affect and do not affect salient performance variables. PMID:26105756

  11. Chiral drag force

    NASA Astrophysics Data System (ADS)

    Rajagopal, Krishna; Sadofyev, Andrey V.

    2015-10-01

    We provide a holographic evaluation of novel contributions to the drag force acting on a heavy quark moving through strongly interacting plasma. The new contributions are chiral in the sense that they act in opposite directions in plasmas containing an excess of left- or right-handed quarks. The new contributions are proportional to the coefficient of the axial anomaly, and in this sense also are chiral. These new contributions to the drag force act either parallel to or antiparallel to an external magnetic field or to the vorticity of the fluid plasma. In all these respects, these contributions to the drag force felt by a heavy quark are analogous to the chiral magnetic effect (CME) on light quarks. However, the new contribution to the drag force is independent of the electric charge of the heavy quark and is the same for heavy quarks and antiquarks, meaning that these novel effects do not in fact contribute to the CME current. We show that although the chiral drag force can be non-vanishing for heavy quarks that are at rest in the local fluid rest frame, it does vanish for heavy quarks that are at rest in a suitably chosen frame. In this frame, the heavy quark at rest sees counterpropagating momentum and charge currents, both proportional to the axial anomaly coefficient, but feels no drag force. This provides strong concrete evidence for the absence of dissipation in chiral transport, something that has been predicted previously via consideration of symmetries. Along the way to our principal results, we provide a general calculation of the corrections to the drag force due to the presence of gradients in the flowing fluid in the presence of a nonzero chemical potential. We close with a consequence of our result that is at least in principle observable in heavy ion collisions, namely an anticorrelation between the direction of the CME current for light quarks in a given event and the direction of the kick given to the momentum of all the heavy quarks and

  12. Accurate calculation of diffraction-limited encircled and ensquared energy.

    PubMed

    Andersen, Torben B

    2015-09-01

    Mathematical properties of the encircled and ensquared energy functions for the diffraction-limited point-spread function (PSF) are presented. These include power series and a set of linear differential equations that facilitate the accurate calculation of these functions. Asymptotic expressions are derived that provide very accurate estimates for the relative amount of energy in the diffraction PSF that fall outside a square or rectangular large detector. Tables with accurate values of the encircled and ensquared energy functions are also presented. PMID:26368873

  13. Investigation of Calibrating Force Transducer Using Sinusoidal Force

    SciTech Connect

    Zhang Li; Wang Yu; Zhang Lizhe

    2010-05-28

    Sinusoidal force calibration method was studied several years before at Physikalisch-Technische Bundesanstalt (PTB). A similar dynamic force calibration system is developed at Changcheng Institute of Metrology and Measurement (CIMM). It uses electro-dynamic shakers to generate dynamic force in the range from 1 N to 20 kN, and heterodyne laser interferometers are used for acceleration measurement. The force transducer to be calibrated is mounted on the shaker, and a mass block is screwed on the top of force transducer, the sinusoidal forces realized by accelerated load masses are traceable to acceleration and mass according to the force definition. The methods of determining Spatial-dependent acceleration on mass block and measuring the end mass of force transducer in dynamic force calibration are discussed in this paper.

  14. Force control in chronic stroke.

    PubMed

    Kang, Nyeonju; Cauraugh, James H

    2015-05-01

    Force control deficits are common dysfunctions after a stroke. This review concentrates on various force control variables associated with motor impairments and suggests new approaches to quantifying force control production and modulation. Moreover, related neurophysiological mechanisms were addressed to determine variables that affect force control capabilities. Typically, post stroke force control impairments include: (a) decreased force magnitude and asymmetrical forces between hands, (b) higher task error, (c) greater force variability, (d) increased force regularity, and (e) greater time-lag between muscular forces. Recent advances in force control analyses post stroke indicated less bimanual motor synergies and impaired low-force frequency structure. Brain imaging studies demonstrate possible neurophysiological mechanisms underlying force control impairments: (a) decreased activation in motor areas of the ipsilesional hemisphere, (b) increased activation in secondary motor areas between hemispheres, (c) cerebellum involvement, and (d) relatively greater interhemispheric inhibition from the contralesional hemisphere. Consistent with identifying neurophysiological mechanisms, analyzing bimanual motor synergies as well as low-force frequency structure will advance our understanding of post stroke force control. PMID:25704075

  15. Machine learning predictions of molecular properties: Accurate many-body potentials and nonlocality in chemical space

    DOE PAGESBeta

    Hansen, Katja; Biegler, Franziska; Ramakrishnan, Raghunathan; Pronobis, Wiktor; von Lilienfeld, O. Anatole; Müller, Klaus -Robert; Tkatchenko, Alexandre

    2015-06-04

    Simultaneously accurate and efficient prediction of molecular properties throughout chemical compound space is a critical ingredient toward rational compound design in chemical and pharmaceutical industries. Aiming toward this goal, we develop and apply a systematic hierarchy of efficient empirical methods to estimate atomization and total energies of molecules. These methods range from a simple sum over atoms, to addition of bond energies, to pairwise interatomic force fields, reaching to the more sophisticated machine learning approaches that are capable of describing collective interactions between many atoms or bonds. In the case of equilibrium molecular geometries, even simple pairwise force fields demonstratemore » prediction accuracy comparable to benchmark energies calculated using density functional theory with hybrid exchange-correlation functionals; however, accounting for the collective many-body interactions proves to be essential for approaching the “holy grail” of chemical accuracy of 1 kcal/mol for both equilibrium and out-of-equilibrium geometries. This remarkable accuracy is achieved by a vectorized representation of molecules (so-called Bag of Bonds model) that exhibits strong nonlocality in chemical space. The same representation allows us to predict accurate electronic properties of molecules, such as their polarizability and molecular frontier orbital energies.« less

  16. Machine learning predictions of molecular properties: Accurate many-body potentials and nonlocality in chemical space

    SciTech Connect

    Hansen, Katja; Biegler, Franziska; Ramakrishnan, Raghunathan; Pronobis, Wiktor; von Lilienfeld, O. Anatole; Müller, Klaus -Robert; Tkatchenko, Alexandre

    2015-06-04

    Simultaneously accurate and efficient prediction of molecular properties throughout chemical compound space is a critical ingredient toward rational compound design in chemical and pharmaceutical industries. Aiming toward this goal, we develop and apply a systematic hierarchy of efficient empirical methods to estimate atomization and total energies of molecules. These methods range from a simple sum over atoms, to addition of bond energies, to pairwise interatomic force fields, reaching to the more sophisticated machine learning approaches that are capable of describing collective interactions between many atoms or bonds. In the case of equilibrium molecular geometries, even simple pairwise force fields demonstrate prediction accuracy comparable to benchmark energies calculated using density functional theory with hybrid exchange-correlation functionals; however, accounting for the collective many-body interactions proves to be essential for approaching the “holy grail” of chemical accuracy of 1 kcal/mol for both equilibrium and out-of-equilibrium geometries. This remarkable accuracy is achieved by a vectorized representation of molecules (so-called Bag of Bonds model) that exhibits strong nonlocality in chemical space. The same representation allows us to predict accurate electronic properties of molecules, such as their polarizability and molecular frontier orbital energies.

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

    NASA Astrophysics Data System (ADS)

    Sibaev, Marat; Crittenden, Deborah L.

    2016-06-01

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

  18. Quantitative assessment of sample stiffness and sliding friction from force curves in atomic force microscopy

    SciTech Connect

    Pratt, Jon R.; Shaw, Gordon A.; Kumanchik, Lee; Burnham, Nancy A.

    2010-02-15

    It has long been recognized that the angular deflection of an atomic force microscope (AFM) cantilever under ''normal'' loading conditions can be profoundly influenced by the friction between the tip and the surface. It is shown here that a remarkably quantifiable hysteresis occurs in the slope of loading curves whenever the normal flexural stiffness of the AFM cantilever is greater than that of the sample. This situation arises naturally in cantilever-on-cantilever calibration, but also when trying to measure the stiffness of nanomechanical devices or test structures, or when probing any type of surface or structure that is much more compliant along the surface normal than in transverse directions. Expressions and techniques for evaluating the coefficient of sliding friction between the cantilever tip and sample from normal force curves, as well as relations for determining the stiffness of a mechanically compliant specimen are presented. The model is experimentally supported by the results of cantilever-on-cantilever spring constant calibrations. The cantilever spring constants determined here agree with the values determined using the NIST electrostatic force balance within the limits of the largest uncertainty component, which had a relative value of less than 2.5%. This points the way for quantitative testing of micromechanical and nanomechanical components, more accurate calibration of AFM force, and provides nanotribologists access to information about contact friction from normal force curves.

  19. Recent Advances in the Method of Forces: Integrated Force Method of Structural Analysis

    NASA Technical Reports Server (NTRS)

    Patnaik, Surya N.; Coroneos, Rula M.; Hopkins, Dale A.

    1998-01-01

    Stress that can be induced in an elastic continuum can be determined directly through the simultaneous application of the equilibrium equations and the compatibility conditions. In the literature, this direct stress formulation is referred to as the integrated force method. This method, which uses forces as the primary unknowns, complements the popular equilibrium-based stiffness method, which considers displacements as the unknowns. The integrated force method produces accurate stress, displacement, and frequency results even for modest finite element models. This version of the force method should be developed as an alternative to the stiffness method because the latter method, which has been researched for the past several decades, may have entered its developmental plateau. Stress plays a primary role in the development of aerospace and other products, and its analysis is difficult. Therefore, it is advisable to use both methods to calculate stress and eliminate errors through comparison. This paper examines the role of the integrated force method in analysis, animation and design.

  20. Numerical study of the hydrodynamic drag force in atomic force microscopy measurements undertaken in fluids.

    PubMed

    Méndez-Méndez, J V; Alonso-Rasgado, M T; Faria, E Correia; Flores-Johnson, E A; Snook, R D

    2014-11-01

    When atomic force microscopy (AFM) is employed for in vivo study of immersed biological samples, the fluid medium presents additional complexities, not least of which is the hydrodynamic drag force due to viscous friction of the cantilever with the liquid. This force should be considered when interpreting experimental results and any calculated material properties. In this paper, a numerical model is presented to study the influence of the drag force on experimental data obtained from AFM measurements using computational fluid dynamics (CFD) simulation. The model provides quantification of the drag force in AFM measurements of soft specimens in fluids. The numerical predictions were compared with experimental data obtained using AFM with a V-shaped cantilever fitted with a pyramidal tip. Tip velocities ranging from 1.05 to 105 μm/s were employed in water, polyethylene glycol and glycerol with the platform approaching from a distance of 6000 nm. The model was also compared with an existing analytical model. Good agreement was observed between numerical results, experiments and analytical predictions. Accurate predictions were obtained without the need for extrapolation of experimental data. In addition, the model can be employed over the range of tip geometries and velocities typically utilized in AFM measurements. PMID:25080275

  1. Force enhancement and force depression in a modified muscle model used for muscle activation prediction.

    PubMed

    Kosterina, Natalia; Wang, Ruoli; Eriksson, Anders; Gutierrez-Farewik, Elena M

    2013-08-01

    This article introduces history-dependent effects in a skeletal muscle model applied to dynamic simulations of musculoskeletal system motion. Force depression and force enhancement induced by active muscle shortening and lengthening, respectively, represent muscle history effects. A muscle model depending on the preceding contractile events together with the current parameters was developed for OpenSim software, and applied in simulations of standing heel-raise and squat movements. Muscle activations were computed using joint kinematics and ground reaction forces recorded from the motion capture of seven individuals. In the muscle-actuated simulations, a modification was applied to the computed activation, and was compared to the measured electromyography data. For the studied movements, the history gives a small but visible effect to the muscular force trace, but some parameter values must be identified before the exact magnitude can be analysed. The muscle model modification improves the existing muscle models and gives a more accurate description of underlying forces and activations in musculoskeletal system movement simulations. PMID:23561824

  2. Force Feedback Joystick

    NASA Technical Reports Server (NTRS)

    1997-01-01

    I-FORCE, a computer peripheral from Immersion Corporation, was derived from virtual environment and human factors research at the Advanced Displays and Spatial Perception Laboratory at Ames Research Center in collaboration with Stanford University Center for Design Research. Entrepreneur Louis Rosenberg, a former Stanford researcher, now president of Immersion, collaborated with Dr. Bernard Adelstein at Ames on studies of perception in virtual reality. The result was an inexpensive way to incorporate motors and a sophisticated microprocessor into joysticks and other game controllers. These devices can emulate the feel of a car on the skid, a crashing plane, the bounce of a ball, compressed springs, or other physical phenomenon. The first products incorporating I-FORCE technology include CH- Products' line of FlightStick and CombatStick controllers.

  3. Force Modulator System

    SciTech Connect

    Redmond Clark

    2009-04-30

    Many metal parts manufacturers use large metal presses to shape sheet metal into finished products like car body parts, jet wing and fuselage surfaces, etc. These metal presses take sheet metal and - with enormous force - reshape the metal into a fully formed part in a manner of seconds. Although highly efficient, the forces involved in forming metal parts also damage the press itself, limit the metals used in part production, slow press operations and, when not properly controlled, cause the manufacture of large volumes of defective metal parts. To date, the metal-forming industry has not been able to develop a metal-holding technology that allows full control of press forces during the part forming process. This is of particular importance in the automotive lightweighting efforts under way in the US automotive manufacturing marketplace. Metalforming Controls Technology Inc. (MC2) has developed a patented press control system called the Force Modulator that has the ability to control these press forces, allowing a breakthrough in stamping process control. The technology includes a series of hydraulic cylinders that provide controlled tonnage at all points in the forming process. At the same time, the unique cylinder design allows for the generation of very high levels of clamping forces (very high tonnages) in very small spaces; a requirement for forming medium and large panels out of HSS and AHSS. Successful production application of these systems testing at multiple stamping operations - including Ford and Chrysler - has validated the capabilities and economic benefits of the system. Although this technology has been adopted in a number of stamping operations, one of the primary barriers to faster adoption and application of this technology in HSS projects is system cost. The cost issue has surfaced because the systems currently in use are built for each individual die as a custom application, thus driving higher tooling costs. This project proposed to better

  4. Suicide and Forced Marriage

    PubMed Central

    Pridmore, Saxby; Walter, Garry

    2013-01-01

    Background: The prevailing view that the vast majority of those who complete suicide have an underlying psychiatric disorder has been recently challenged by research on the contribution of “predicaments”, in the absence of mental illness, to suicide. In this paper, we sought data to support the notion that forced marriage may lead to suicide without the presence of psychiatric disorder. Methods: Historical records, newspapers, and the electronic media were searched for examples. Results: Two examples from ancient times and six from the last hundred years were located and described. Conclusion: These cases suggest that forced marriage may lead to suicide and complements earlier findings that loss of fortune, health, liberty, and reputation may lead to suicide in the absence of mental disorder. PMID:23983577

  5. Forces Driving Chaperone Action.

    PubMed

    Koldewey, Philipp; Stull, Frederick; Horowitz, Scott; Martin, Raoul; Bardwell, James C A

    2016-07-14

    It is still unclear what molecular forces drive chaperone-mediated protein folding. Here, we obtain a detailed mechanistic understanding of the forces that dictate the four key steps of chaperone-client interaction: initial binding, complex stabilization, folding, and release. Contrary to the common belief that chaperones recognize unfolding intermediates by their hydrophobic nature, we discover that the model chaperone Spy uses long-range electrostatic interactions to rapidly bind to its unfolded client protein Im7. Short-range hydrophobic interactions follow, which serve to stabilize the complex. Hydrophobic collapse of the client protein then drives its folding. By burying hydrophobic residues in its core, the client's affinity to Spy decreases, which causes client release. By allowing the client to fold itself, Spy circumvents the need for client-specific folding instructions. This mechanism might help explain how chaperones can facilitate the folding of various unrelated proteins. PMID:27293188

  6. Miniature drag force anemometer

    NASA Technical Reports Server (NTRS)

    Krause, L. N.; Fralick, G. C.

    1977-01-01

    A miniature drag force anemometer is described which is capable of measuring dynamic velocity head and flow direction. The anemometer consists of a silicon cantilevered beam 2.5 mm long, 1.5 mm wide, and 0.25 mm thick with an integrated diffused strain gage bridge, located at the base of the beam, as the force measuring element. The dynamics of the beam are like that of a second order system with a natural frequency of about 42 kHz and a damping coefficient of 0.007. The anemometer can be used in both forward and reversed flow. Measured flow characteristics up to Mach 0.6 are presented along with application examples including turbulence measurements.

  7. Air Force seal activities

    NASA Technical Reports Server (NTRS)

    Mayhew, Ellen R.

    1994-01-01

    Seal technology development is an important part of the Air Force's participation in the Integrated High Performance Turbine Engine Technology (IHPTET) initiative, the joint DOD, NASA, ARPA, and industry endeavor to double turbine engine capabilities by the turn of the century. Significant performance and efficiency improvements can be obtained through reducing internal flow system leakage, but seal environment requirements continue to become more extreme as the engine thermodynamic cycles advance towards these IHPTET goals. Brush seal technology continues to be pursued by the Air Force to reduce leakage at the required conditions. Likewise, challenges in engine mainshaft air/oil seals are also being addressed. Counter-rotating intershaft applications within the IHPTET initiative involve very high rubbing velocities. This viewgraph presentation briefly describes past and current seal research and development programs and gives a summary of seal applications in demonstrator and developmental engine testing.

  8. Stochastically forced zonal flows

    NASA Astrophysics Data System (ADS)

    Srinivasan, Kaushik

    This thesis investigates the dynamics of multiple zonal jets, that spontaneously emerge on the barotropic beta-plane, driven by a homogenous and rapidly decorrelating forcing and damped by bottom drag. Decomposing the barotropic vorticity equation into the zonal-mean and eddy equations, and neglecting the eddy-eddy interactions, defines the quasi-linear (QL) system. Numerical solution of the QL system shows zonal jets with length scales comparable to jets obtained by solving the nonlinear (NL) system. Starting with the QL system, one can construct a deterministic equation for the evolution of the two-point single-time correlation function of the vorticity, from which one can obtain the Reynolds stress that drives the zonal mean flow. This deterministic system has an exact nonlinear solution, which is a homogenous eddy field with no jets. When the forcing is also isotropic in space, we characterize the linear stability of this jetless solution by calculating the critical stability curve in the parameter space and successfully comparing this analytic result with numerical solutions of the QL system. But the critical drag required for the onset of NL zonostrophic instability is up to a factor of six smaller than that for QL zonostrophic instability. The constraint of isotropic forcing is then relaxed and spatially anisotropic forcing is used to drive the jets. Meridionally drifting jets are observed whenever the forcing breaks an additional symmetry that we refer to as mirror, or reflexional symmetry. The magnitude of drift speed in our results shows a strong variation with both mu and beta: while the drift speed decreases almost linearly with decreasing mu, it actually increases as beta decreases. Similar drifting jets are also observed in QL, with the same direction (i.e. northward or southward) and similar magnitude as NL jet-drift. Starting from the laminar solution, and assuming a mean-flow that varies slowly with reference to the scale of the eddies, we obtain

  9. Modified entropic force

    SciTech Connect

    Gao Changjun

    2010-04-15

    The theory of statistical thermodynamics tells us the equipartition law of energy does not hold in the limit of very low temperatures. It is found the Debye model is very successful in explaining the experimental results for most of the solid objects. Motivated by this fact, we modify the entropic force formula which is proposed very recently. Since the Unruh temperature is proportional to the strength of the gravitational field, so the modified entropic force formula is an extension of the Newtonian gravity to the weak field. On the contrary, general relativity extends Newtonian gravity to the strong field case. Corresponding to Debye temperature, there exists a Debye acceleration g{sub D}. It is found the Debye acceleration is g{sub D}=10{sup -15} N kg{sup -1}. This acceleration is very much smaller than the gravitational acceleration 10{sup -4} N kg{sup -1} which is felt by Neptune and the gravitational acceleration 10{sup -10} N kg{sup -1} felt by the Sun. Therefore, the modified entropic force can be very well approximated by the Newtonian gravity in the Solar System and in the Galaxy. With this Debye acceleration, we find the current cosmic speeding up can be explained without invoking any kind of dark energy.

  10. Accurate Alignment of Plasma Channels Based on Laser Centroid Oscillations

    SciTech Connect

    Gonsalves, Anthony; Nakamura, Kei; Lin, Chen; Osterhoff, Jens; Shiraishi, Satomi; Schroeder, Carl; Geddes, Cameron; Toth, Csaba; Esarey, Eric; Leemans, Wim

    2011-03-23

    A technique has been developed to accurately align a laser beam through a plasma channel by minimizing the shift in laser centroid and angle at the channel outptut. If only the shift in centroid or angle is measured, then accurate alignment is provided by minimizing laser centroid motion at the channel exit as the channel properties are scanned. The improvement in alignment accuracy provided by this technique is important for minimizing electron beam pointing errors in laser plasma accelerators.

  11. Accurate wavelength calibration method for flat-field grating spectrometers.

    PubMed

    Du, Xuewei; Li, Chaoyang; Xu, Zhe; Wang, Qiuping

    2011-09-01

    A portable spectrometer prototype is built to study wavelength calibration for flat-field grating spectrometers. An accurate calibration method called parameter fitting is presented. Both optical and structural parameters of the spectrometer are included in the wavelength calibration model, which accurately describes the relationship between wavelength and pixel position. Along with higher calibration accuracy, the proposed calibration method can provide information about errors in the installation of the optical components, which will be helpful for spectrometer alignment. PMID:21929865

  12. Time Estimation in Young Children: An Initial Force Rule Governing Time Production.

    ERIC Educational Resources Information Center

    Droit-Volet, Sylvie

    1998-01-01

    Studied time estimation for a button-pressing response in 3- and 5.5-year-olds under "minimal,""temporal," and "force" instructions. Found that force--but not temporal--instructions improved 3-year-olds' timing accuracy. When instructed to press harder, they pressed longer. Older children were more accurate with temporal than with force…

  13. Female Labour Force Participation in Developing Countries: A Critique of Current Definitions and Data Collection Methods.

    ERIC Educational Resources Information Center

    Anker, Richard

    1983-01-01

    This article discusses the difficulties involved in obtaining accurate labor force data for Third World women, from the point of view of interviewers, respondents, and labor statisticians or economists. Suggestions are then made regarding alternative definitions of the labor force and survey questionnaire structures in order to overcome some of…

  14. Finger force perception during ipsilateral and contralateral force matching tasks

    PubMed Central

    Park, Woo-Hyung; Leonard, Charles T.; Li, Sheng

    2010-01-01

    The aims of the present study were to compare matching performance between ipsilateral and contralateral finger force matching tasks and to examine the effect of handedness on finger force perception. Eleven subjects were instructed to produce reference forces by an instructed finger (index – I or little – L finger) and to reproduce the same amount force by the same or a different finger within the hand (i.e., ipsilateral matching task), or by a finger of the other hand (i.e., contralateral matching task). The results of the ipsilateral and contralateral tasks in the present study commonly showed that 1) the reference and matching forces were matched closely when the two forces were produced by the same or homologous finger(s) such as I/I task; 2) the weaker little finger underestimated the magnitude of reference force of the index finger (I/L task), even with the higher level of effort (relative force), but the two forces were matched when considering total finger forces; 3) the stronger index finger closely matched the reference force of the little finger with the lower level of relative force (i.e., L/I task); 4) when considering the constant errors, I/L tasks showed an underestimation and L/I tasks showed an overestimation compared to I/I tasks. There was no handedness effect during ipsilateral tasks. During the contralateral task, the dominant hand overestimated the force of the non-dominant hand, while the non-dominant hand attempted to match the absolute force of the dominant hand. The overall results support the notion that the absolute, rather than relative, finger force is perceived and reproduced during ipsilateral and contralateral finger force matching tasks, indicating the uniqueness of finger force perception. PMID:18488212

  15. Force reflection with compliance control

    NASA Technical Reports Server (NTRS)

    Kim, Won S. (Inventor)

    1993-01-01

    Two types of systems for force-reflecting control, which enables high force-reflection gain, are presented: position-error-based force reflection and low-pass-filtered force reflection. Both of the systems are combined with shared compliance control. In the position-error-based class, the position error between the commanded and the actual position of a compliantly controlled robot is used to provide force reflection. In the low-pass-filtered force reflection class, the low-pass-filtered output of the compliance control is used to provide force reflection. The increase in force reflection gain can be more than 10-fold as compared to a conventional high-bandwidth pure force reflection system, when high compliance values are used for the compliance control.

  16. Adding Value to Force Diagrams: Representing Relative Force Magnitudes

    NASA Astrophysics Data System (ADS)

    Wendel, Paul

    2011-05-01

    Nearly all physics instructors recognize the instructional value of force diagrams, and this journal has published several collections of exercises to improve student skill in this area.1-4 Yet some instructors worry that too few students perceive the conceptual and problem-solving utility of force diagrams,4-6 and over recent years a rich variety of approaches has been proposed to add value to force diagrams. Suggestions include strategies for identifying candidate forces,6,7 emphasizing the distinction between "contact" and "noncontact" forces,5,8 and the use of computer-based tutorials.9,10 Instructors have suggested a variety of conventions for constructing force diagrams, including approaches to arrow placement and orientation2,11-13 and proposed notations for locating forces or marking action-reaction force pairs.8,11,14,15

  17. Simulation of the global contrail radiative forcing: A sensitivity analysis

    NASA Astrophysics Data System (ADS)

    Yi, Bingqi; Yang, Ping; Liou, Kuo-Nan; Minnis, Patrick; Penner, Joyce E.

    2012-12-01

    The contrail radiative forcing induced by human aviation activity is one of the most uncertain contributions to climate forcing. An accurate estimation of global contrail radiative forcing is imperative, and the modeling approach is an effective and prominent method to investigate the sensitivity of contrail forcing to various potential factors. We use a simple offline model framework that is particularly useful for sensitivity studies. The most-up-to-date Community Atmospheric Model version 5 (CAM5) is employed to simulate the atmosphere and cloud conditions during the year 2006. With updated natural cirrus and additional contrail optical property parameterizations, the RRTMG Model (RRTM-GCM application) is used to simulate the global contrail radiative forcing. Global contrail coverage and optical depth derived from the literature for the year 2002 is used. The 2006 global annual averaged contrail net (shortwave + longwave) radiative forcing is estimated to be 11.3 mW m-2. Regional contrail radiative forcing over dense air traffic areas can be more than ten times stronger than the global average. A series of sensitivity tests are implemented and show that contrail particle effective size, contrail layer height, the model cloud overlap assumption, and contrail optical properties are among the most important factors. The difference between the contrail forcing under all and clear skies is also shown.

  18. A Parametric Approach to Numerical Modeling of TKR Contact Forces

    PubMed Central

    Lundberg, Hannah J.; Foucher, Kharma C.; Wimmer, Markus A.

    2009-01-01

    In vivo knee contact forces are difficult to determine using numerical methods because there are more unknown forces than equilibrium equations available. We developed parametric methods for computing contact forces across the knee joint during the stance phase of level walking. Three-dimensional contact forces were calculated at two points of contact between the tibia and the femur, one on the lateral aspect of the tibial plateau, and one on the medial side. Muscle activations were parametrically varied over their physiologic range resulting in a solution space of contact forces. The obtained solution space was reasonably small and the resulting force pattern compared well to a previous model from the literature for kinematics and external kinetics from the same patient. Peak forces of the parametric model and the previous model were similar for the first half of the stance phase, but differed for the second half. The previous model did not take into account the transverse external moment about the knee and could not calculate muscle activation levels. Ultimately, the parametric model will result in more accurate contact force inputs for total knee simulators, as current inputs are not generally based on kinematics and kinetics inputs from TKR patients. PMID:19155015

  19. A 3D-CFD code for accurate prediction of fluid flows and fluid forces in seals

    NASA Astrophysics Data System (ADS)

    Athavale, M. M.; Przekwas, A. J.; Hendricks, R. C.

    1994-01-01

    Current and future turbomachinery requires advanced seal configurations to control leakage, inhibit mixing of incompatible fluids and to control the rotodynamic response. In recognition of a deficiency in the existing predictive methodology for seals, a seven year effort was established in 1990 by NASA's Office of Aeronautics Exploration and Technology, under the Earth-to-Orbit Propulsion program, to develop validated Computational Fluid Dynamics (CFD) concepts, codes and analyses for seals. The effort will provide NASA and the U.S. Aerospace Industry with advanced CFD scientific codes and industrial codes for analyzing and designing turbomachinery seals. An advanced 3D CFD cylindrical seal code has been developed, incorporating state-of-the-art computational methodology for flow analysis in straight, tapered and stepped seals. Relevant computational features of the code include: stationary/rotating coordinates, cylindrical and general Body Fitted Coordinates (BFC) systems, high order differencing schemes, colocated variable arrangement, advanced turbulence models, incompressible/compressible flows, and moving grids. This paper presents the current status of code development, code demonstration for predicting rotordynamic coefficients, numerical parametric study of entrance loss coefficients for generic annular seals, and plans for code extensions to labyrinth, damping, and other seal configurations.

  20. Stochastic noise in atomic force microscopy.

    PubMed

    Labuda, Aleksander; Lysy, Martin; Paul, William; Miyahara, Yoichi; Grütter, Peter; Bennewitz, Roland; Sutton, Mark

    2012-09-01

    Having reached the quantum and thermodynamic limits of detection, atomic force microscopy (AFM) experiments are routinely being performed at the fundamental limit of signal to noise. A critical understanding of the statistical properties of noise leads to more accurate interpretation of data, optimization of experimental protocols, advancements in instrumentation, and new measurement techniques. Furthermore, accurate simulation of cantilever dynamics requires knowledge of stochastic behavior of the system, as stochastic noise may exceed the deterministic signals of interest, and even dominate the outcome of an experiment. In this article, the power spectral density (PSD), used to quantify stationary stochastic processes, is introduced in the context of a thorough noise analysis of the light source used to detect cantilever deflections. The statistical properties of PSDs are then outlined for various stationary, nonstationary, and deterministic noise sources in the context of AFM experiments. Following these developments, a method for integrating PSDs to provide an accurate standard deviation of linear measurements is described. Lastly, a method for simulating stochastic Gaussian noise from any arbitrary power spectral density is presented. The result demonstrates that mechanical vibrations of the AFM can cause a logarithmic velocity dependence of friction and induce multiple slip events in the atomic stick-slip process, as well as predicts an artifactual temperature dependence of friction measured by AFM. PMID:23030863

  1. Radio Astronomers Set New Standard for Accurate Cosmic Distance Measurement

    NASA Astrophysics Data System (ADS)

    1999-06-01

    calibrating the size of the Solar System. The first accurate distance to another star was determined trigonometrically by Friedrich Wilhelm Bessel in 1838. Traditional trigonometric methods of measuring celestial distances require extremely accurate measurement of an object's position in the sky. By measuring the apparent shift in an object's position, called parallax, caused by the Earth's journey around the Sun, the distance to the object can be calculated. Until recent years, such measurements were limited by the atmosphere's degrading effect on optical observations. Recently, the Hipparcos satellite has measured stellar distances accurate to within 10 percent out to about 300 light-years. Beyond the range of parallax measurements, astronomers were forced to use indirect methods of estimating distances. Many of these methods make presumptions about the intrinsic brightness of objects, then estimate the distance by measuring how much fainter they appear on Earth. The faintness is presumed to be caused by the distance, according to the inverse-square law (doubling of the distance reduces brightness by a factor of four). Thus, stars of a particular spectral class are all presumed to be of the same intrinsic brightness. Such techniques have been used to estimate distances of stars out to about 25,000 light-years, still not far enough to estimate distance beyond our own Milky Way Galaxy. Early in the 20th Century, Henrietta Leavitt, of Harvard College Observatory, discovered that variable-brightness stars known as Cepheid variables showed a useful property -- the longer their pulsation periods, the brighter they are intrinsically. Once the absolute distance to a few Cepheids was determined, these stars were used to measure distances beyond the Milky Way. In the 1920s, Edwin Hubble used Cepheid-variable distance determinations to show that, contrary to then-prevalent opinion, many "nebulae" were, in fact, other galaxies far distant from our own. Distances determined using

  2. The Forces at Play in Optical Force Microscopy

    NASA Astrophysics Data System (ADS)

    Brocious, Jordan

    Optical force microscopy is a novel technique where mechanical detection with a cantilevered probe replaces the detection of photons to investigate optically induced processes and states. A theoretical and experimental analysis is performed here of the forces present in optical force microscopy operated in tapping mode, which reveals two dominant optically induced forces, the gradient force and the scattering force. Force-distance curves are reconstructed from experimental amplitude and phase information for glass, gold nanowires and molecular clusters of silicon naphtalocyanine samples. The scattering force is shown to be insensitive to both nano-scale tip-sample distances and sample polarizability and is dependent on the form of the tip. The gradient force demonstrates a z-4 tip-sample distance dependence, localized to a few nanometers, and is strongly dependent on the polarizability of the sample which enables spectroscopic imaging through force detection. The different distance-dependence and polarizability-dependence of the gradient and scattering forces give rise to a complex force-distance curve which determines imaging contrast along with the cantilever set-point, knowledge of which is essential for image interpretation.

  3. Time Accurate CFD Simulations of the Orion Launch Abort Vehicle in the Transonic Regime

    NASA Technical Reports Server (NTRS)

    Rojahn, Josh; Ruf, Joe

    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 and in three dimensions with symmetric geometries, no freestream sideslip angle, and motors firing. 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.

  4. Atomic Force Microscope

    SciTech Connect

    Day, R.D.; Russell, P.E.

    1988-12-01

    The Atomic Force Microscope (AFM) is a recently developed instrument that has achieved atomic resolution imaging of both conducting and non- conducting surfaces. Because the AFM is in the early stages of development, and because of the difficulty of building the instrument, it is currently in use in fewer than ten laboratories worldwide. It promises to be a valuable tool for obtaining information about engineering surfaces and aiding the .study of precision fabrication processes. This paper gives an overview of AFM technology and presents plans to build an instrument designed to look at engineering surfaces.

  5. Radiative forcing of climate

    NASA Technical Reports Server (NTRS)

    Ramanswamy, V.; Shine, Keith; Leovy, Conway; Wang, Wei-Chyung; Rodhe, Henning; Wuebbles, Donald J.; Ding, M.; Lelieveld, Joseph; Edmonds, Jae A.; Mccormick, M. Patrick

    1991-01-01

    An update of the scientific discussions presented in Chapter 2 of the Intergovernmental Panel on Climate Change (IPCC) report is presented. The update discusses the atmospheric radiative and chemical species of significance for climate change. There are two major objectives of the present update. The first is an extension of the discussion on the Global Warming Potentials (GWP's), including a reevaluation in view of the updates in the lifetimes of the radiatively active species. The second important objective is to underscore major developments in the radiative forcing of climate due to the observed stratospheric ozone losses occurring between 1979 and 1990.

  6. Causal Entropic Forces

    NASA Astrophysics Data System (ADS)

    Wissner-Gross, A. D.; Freer, C. E.

    2013-04-01

    Recent advances in fields ranging from cosmology to computer science have hinted at a possible deep connection between intelligence and entropy maximization, but no formal physical relationship between them has yet been established. Here, we explicitly propose a first step toward such a relationship in the form of a causal generalization of entropic forces that we find can cause two defining behaviors of the human “cognitive niche”—tool use and social cooperation—to spontaneously emerge in simple physical systems. Our results suggest a potentially general thermodynamic model of adaptive behavior as a nonequilibrium process in open systems.

  7. Repulsive Casimir forces between solid materials with high-refractive-index intervening liquids

    SciTech Connect

    Zwol, P. J. van; Palasantzas, G.

    2010-06-15

    In order to explore repulsive Casimir or van der Waals forces between solid materials with liquid as the intervening medium, we analyze dielectric data for a wide range of materials as, for example, (p)olytetrafluoroethylene, polystyrene, silica, and more than 20 liquids. Although significant variation in the dielectric data from different sources exists, we provide a scheme based on measured static dielectric constants, refractive indices, and applying Kramers-Kronig consistency to dielectric data to create accurate dielectric functions at imaginary frequencies. The latter is necessary for more accurate force calculations via the Lifshitz theory, thereby allowing reliable predictions of repulsive Casimir forces.

  8. Improved High-Force Magnetic Tweezers for Stretching and Refolding of Proteins and Short DNA

    PubMed Central

    Chen, Hu; Fu, Hongxia; Zhu, Xiaoying; Cong, Peiwen; Nakamura, Fumihiko; Yan, Jie

    2011-01-01

    Although magnetic tweezers have many unique advantages in terms of specificity, throughput, and force stability, this tool has had limited application on short tethers because accurate measurement of force has been difficult for short tethers under large tension. Here, we report a method that allows us to apply magnetic tweezers to stretch short biomolecules with accurate force calibration over a wide range of up to 100 pN. We demonstrate the use of the method by overstretching of a short DNA and unfolding/refolding a protein of filamin A immunoglobulin domains 1–8. Other potential applications of this method are also discussed. PMID:21244848

  9. Integrated force method versus displacement method for finite element analysis

    NASA Technical Reports Server (NTRS)

    Patnaik, S. N.; Berke, L.; Gallagher, R. H.

    1991-01-01

    A novel formulation termed the integrated force method (IFM) has been developed in recent years for analyzing structures. In this method all the internal forces are taken as independent variables, and the system equilibrium equations (EEs) are integrated with the global compatibility conditions (CCs) to form the governing set of equations. In IFM the CCs are obtained from the strain formulation of St. Venant, and no choices of redundant load systems have to be made, in constrast to the standard force method (SFM). This property of IFM allows the generation of the governing equation to be automated straightforwardly, as it is in the popular stiffness method (SM). In this report IFM and SM are compared relative to the structure of their respective equations, their conditioning, required solution methods, overall computational requirements, and convergence properties as these factors influence the accuracy of the results. Overall, this new version of the force method produces more accurate results than the stiffness method for comparable computational cost.

  10. Vehicle Lateral State Estimation Based on Measured Tyre Forces

    PubMed Central

    Tuononen, Ari J.

    2009-01-01

    Future active safety systems need more accurate information about the state of vehicles. This article proposes a method to evaluate the lateral state of a vehicle based on measured tyre forces. The tyre forces of two tyres are estimated from optically measured tyre carcass deflections and transmitted wirelessly to the vehicle body. The two remaining tyres are so-called virtual tyre sensors, the forces of which are calculated from the real tyre sensor estimates. The Kalman filter estimator for lateral vehicle state based on measured tyre forces is presented, together with a simple method to define adaptive measurement error covariance depending on the driving condition of the vehicle. The estimated yaw rate and lateral velocity are compared with the validation sensor measurements. PMID:22291535

  11. Alternating Magnetic Field Forces for Satellite Formation Flying

    NASA Technical Reports Server (NTRS)

    Youngquist, Robert C.; Nurge, Mark A.; Starr, Stnaley O.

    2012-01-01

    Selected future space missions, such as large aperture telescopes and multi-component interferometers, will require the precise positioning of a number of isolated satellites, yet many of the suggested approaches for providing satellites positioning forces have serious limitations. In this paper we propose a new approach, capable of providing both position and orientation forces, that resolves or alleviates many of these problems. We show that by using alternating fields and currents that finely-controlled forces can be induced on the satellites, which can be individually selected through frequency allocation. We also show, through analysis and experiment, that near field operation is feasible and can provide sufficient force and the necessary degrees of freedom to accurately position and orient small satellites relative to one another. In particular, the case of a telescope with a large number of free mirrors is developed to provide an example of the concept. We. also discuss the far field extension of this concept.

  12. Integrated force method versus displacement method for finite element analysis

    NASA Technical Reports Server (NTRS)

    Patnaik, Surya N.; Berke, Laszlo; Gallagher, Richard H.

    1990-01-01

    A novel formulation termed the integrated force method (IFM) has been developed in recent years for analyzing structures. In this method all the internal forces are taken as independent variables, and the system equilibrium equations (EE's) are integrated with the global compatibility conditions (CC's) to form the governing set of equations. In IFM the CC's are obtained from the strain formulation of St. Venant, and no choices of redundant load systems have to be made, in constrast to the standard force method (SFM). This property of IFM allows the generation of the governing equation to be automated straightforwardly, as it is in the popular stiffness method (SM). In this report IFM and SM are compared relative to the structure of their respective equations, their conditioning, required solution methods, overall computational requirements, and convergence properties as these factors influence the accuracy of the results. Overall, this new version of the force method produces more accurate results than the stiffness method for comparable computational cost.

  13. Using explicit macroscopic feedback to determine efficacy of climate forcings

    NASA Astrophysics Data System (ADS)

    Kravitz, B.; MacMartin, D. G.

    2013-12-01

    Calculating efficacies of climate forcings has been a useful method of determining the importance of forcing agents relative to CO2. However, because the strength of internal feedbacks is dependent upon the climate state, efficacies are dependent upon the strengths of the applied forcings, and simulations designed to capture these efficacies have tradeoffs between simulation length and accurately capturing the steady state climate response. We propose an alternate method of determining a quantity similar to climate efficacy via adjusting the amount of forcing by feeding back the observed climate state. By balancing CO2 forcing with another climate forcing, many internal feedbacks are suppressed, which linearizes the climate response to the forcing and promotes rapid convergence of the simulation. We performed simulations in two fully coupled general circulation models of Earth's climate. Doubling the present day CO2 concentration requires a steady state solar reduction of approximately 2.5%; this answer can be obtained with a simulation of less than 30 years. With this method, the amount of solar reduction scales linearly with the logarithmic change in CO2 concentration. We explore similar calculations using other climate forcings. Because this method circumvents calculation of radiative forcing, intercomparison of values between different climate forcings is difficult and is a drawback of our method as compared to the original method of calculating efficacy. Feedback can be used to estimate the efficacy of solar reductions in models. The solar reduction that is required to maintain temperature in the presence of an instantaneous change in atmospheric CO2 concentrations is computed using feedback. The left-hand panel illustrates both the solar forcing as a function of time for offsetting 2×CO2, and the efficacy estimated as the mean solar reduction after the initial transient; extremely rapid convergence is obtained. The right-hand panel illustrates the linearity

  14. Nonexposure accurate location K-anonymity algorithm in LBS.

    PubMed

    Jia, Jinying; Zhang, Fengli

    2014-01-01

    This paper tackles location privacy protection in current location-based services (LBS) where mobile users have to report their exact location information to an LBS provider in order to obtain their desired services. Location cloaking has been proposed and well studied to protect user privacy. It blurs the user's accurate coordinate and replaces it with a well-shaped cloaked region. However, to obtain such an anonymous spatial region (ASR), nearly all existent cloaking algorithms require knowing the accurate locations of all users. Therefore, location cloaking without exposing the user's accurate location to any party is urgently needed. In this paper, we present such two nonexposure accurate location cloaking algorithms. They are designed for K-anonymity, and cloaking is performed based on the identifications (IDs) of the grid areas which were reported by all the users, instead of directly on their accurate coordinates. Experimental results show that our algorithms are more secure than the existent cloaking algorithms, need not have all the users reporting their locations all the time, and can generate smaller ASR. PMID:24605060

  15. Nonexposure Accurate Location K-Anonymity Algorithm in LBS

    PubMed Central

    2014-01-01

    This paper tackles location privacy protection in current location-based services (LBS) where mobile users have to report their exact location information to an LBS provider in order to obtain their desired services. Location cloaking has been proposed and well studied to protect user privacy. It blurs the user's accurate coordinate and replaces it with a well-shaped cloaked region. However, to obtain such an anonymous spatial region (ASR), nearly all existent cloaking algorithms require knowing the accurate locations of all users. Therefore, location cloaking without exposing the user's accurate location to any party is urgently needed. In this paper, we present such two nonexposure accurate location cloaking algorithms. They are designed for K-anonymity, and cloaking is performed based on the identifications (IDs) of the grid areas which were reported by all the users, instead of directly on their accurate coordinates. Experimental results show that our algorithms are more secure than the existent cloaking algorithms, need not have all the users reporting their locations all the time, and can generate smaller ASR. PMID:24605060

  16. Lateral Casimir force beyond the proximity-force approximation.

    PubMed

    Rodrigues, Robson B; Neto, Paulo A Maia; Lambrecht, Astrid; Reynaud, Serge

    2006-03-17

    We argue that the appropriate variable to study a nontrivial geometry dependence of the Casimir force is the lateral component of the Casimir force, which we evaluate between two corrugated metallic plates outside the validity of the proximity-force approximation. The metallic plates are described by the plasma model, with arbitrary values for the plasma wavelength, the plate separation, and the corrugation period, the corrugation amplitude remaining the smallest length scale. Our analysis shows that in realistic experimental situations the proximity-force approximation overestimates the force by up to 30%. PMID:16605712

  17. Uncertainty in NIST Force Measurements

    PubMed Central

    Bartel, Tom

    2005-01-01

    This paper focuses upon the uncertainty of force calibration measurements at the National Institute of Standards and Technology (NIST). The uncertainty of the realization of force for the national deadweight force standards at NIST is discussed, as well as the uncertainties associated with NIST’s voltage-ratio measuring instruments and with the characteristics of transducers being calibrated. The combined uncertainty is related to the uncertainty of dissemination for force transfer standards sent to NIST for calibration. PMID:27308181

  18. Force reflecting hand controller

    NASA Technical Reports Server (NTRS)

    Mcaffee, Douglas A. (Inventor); Snow, Edward R. (Inventor); Townsend, William T. (Inventor)

    1993-01-01

    A universal input device for interfacing a human operator with a slave machine such as a robot or the like includes a plurality of serially connected mechanical links extending from a base. A handgrip is connected to the mechanical links distal from the base such that a human operator may grasp the handgrip and control the position thereof relative to the base through the mechanical links. A plurality of rotary joints is arranged to connect the mechanical links together to provide at least three translational degrees of freedom and at least three rotational degrees of freedom of motion of the handgrip relative to the base. A cable and pulley assembly for each joint is connected to a corresponding motor for transmitting forces from the slave machine to the handgrip to provide kinesthetic feedback to the operator and for producing control signals that may be transmitted from the handgrip to the slave machine. The device gives excellent kinesthetic feedback, high-fidelity force/torque feedback, a kinematically simple structure, mechanically decoupled motion in all six degrees of freedom, and zero backlash. The device also has a much larger work envelope, greater stiffness and responsiveness, smaller stowage volume, and better overlap of the human operator's range of motion than previous designs.

  19. Magnetic force microscopy

    PubMed Central

    Passeri, Daniele; Dong, Chunhua; Reggente, Melania; Angeloni, Livia; Barteri, Mario; Scaramuzzo, Francesca A; De Angelis, Francesca; Marinelli, Fiorenzo; Antonelli, Flavia; Rinaldi, Federica; Marianecci, Carlotta; Carafa, Maria; Sorbo, Angela; Sordi, Daniela; Arends, Isabel WCE; Rossi, Marco

    2014-01-01

    Magnetic force microscopy (MFM) is an atomic force microscopy (AFM) based technique in which an AFM tip with a magnetic coating is used to probe local magnetic fields with the typical AFM spatial resolution, thus allowing one to acquire images reflecting the local magnetic properties of the samples at the nanoscale. Being a well established tool for the characterization of magnetic recording media, superconductors and magnetic nanomaterials, MFM is finding constantly increasing application in the study of magnetic properties of materials and systems of biological and biomedical interest. After reviewing these latter applications, three case studies are presented in which MFM is used to characterize: (i) magnetoferritin synthesized using apoferritin as molecular reactor; (ii) magnetic nanoparticles loaded niosomes to be used as nanocarriers for drug delivery; (iii) leukemic cells labeled using folic acid-coated core-shell superparamagnetic nanoparticles in order to exploit the presence of folate receptors on the cell membrane surface. In these examples, MFM data are quantitatively analyzed evidencing the limits of the simple analytical models currently used. Provided that suitable models are used to simulate the MFM response, MFM can be used to evaluate the magnetic momentum of the core of magnetoferritin, the iron entrapment efficiency in single vesicles, or the uptake of magnetic nanoparticles into cells. PMID:25050758

  20. Forces Stabilizing Proteins

    PubMed Central

    Pace, C. Nick; Scholtz, J. Martin; Grimsley, Gerald R.

    2014-01-01

    The goal of this article is to summarize what has been learned about the major forces stabilizing proteins since the late 1980s when site-directed mutagenesis became possible. The following conclusions are derived from experimental studies of hydrophobic and hydrogen bonding variants. 1. Based on studies of 138 hydrophobic interaction variants in 11 proteins, burying a –CH2– group on folding contributes 1.1 ± 0.5 kcal/mol to protein stability. 2. The burial of nonpolar side chains contributes to protein stability in two ways: first, a term that depends on the removal of the side chains from water and, more importantly, the enhanced London dispersion forces that result from the tight packing in the protein interior. 3. Based on studies of 151 hydrogen bonding variants in 15 proteins, forming a hydrogen bond on folding contributes 1.1 ± 0.8 kcal/mol to protein stability. 4. The contribution of hydrogen bonds to protein stability is strongly context dependent. 5. Hydrogen bonds by side chains and peptide groups make similar contributions to protein stability. 6. Polar group burial can make a favorable contribution to protein stability even if the polar group is not hydrogen bonded. 7. Hydrophobic interactions and hydrogen bonds both make large contributions to protein stability. PMID:24846139