Magnetic quantum tunneling: key insights from multi-dimensional high-field EPR.

PubMed

Lawrence, J; Yang, E-C; Hendrickson, D N; Hill, S

2009-08-21

Multi-dimensional high-field/frequency electron paramagnetic resonance (HFEPR) spectroscopy is performed on single-crystals of the high-symmetry spin S = 4 tetranuclear single-molecule magnet (SMM) [Ni(hmp)(dmb)Cl](4), where hmp(-) is the anion of 2-hydroxymethylpyridine and dmb is 3,3-dimethyl-1-butanol. Measurements performed as a function of the applied magnetic field strength and its orientation within the hard-plane reveal the four-fold behavior associated with the fourth order transverse zero-field splitting (ZFS) interaction, (1/2)B(S + S), within the framework of a rigid spin approximation (with S = 4). This ZFS interaction mixes the m(s) = +/-4 ground states in second order of perturbation, generating a sizeable (12 MHz) tunnel splitting, which explains the fast magnetic quantum tunneling in this SMM. Meanwhile, multi-frequency measurements performed with the field parallel to the easy-axis reveal HFEPR transitions associated with excited spin multiplets (S < 4). Analysis of the temperature dependence of the intensities of these transitions enables determination of the isotropic Heisenberg exchange constant, J = -6.0 cm(-1), which couples the four spin s = 1 Ni(II) ions within the cluster, as well as a characterization of the ZFS within excited states. The combined experimental studies support recent work indicating that the fourth order anisotropy associated with the S = 4 state originates from second order ZFS interactions associated with the individual Ni(II) centers, but only as a result of higher-order processes that occur via S-mixing between the ground state and higher-lying (S < 4) spin multiplets. We argue that this S-mixing plays an important role in the low-temperature quantum dynamics associated with many other well known SMMs.

A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limit.

PubMed

Retegan, Marius; Collomb, Marie-Noëlle; Neese, Frank; Duboc, Carole

2013-01-07

The electronic and magnetic properties of polynuclear complexes, in particular the magnetic anisotropy (zero field splitting, ZFS), the leading term of the spin Hamiltonian (SH), are commonly analyzed in a global manner and no attempt is usually made to understand the various contributions to the anisotropy at the atomic scale. This is especially true in weakly magnetically coupled systems. The present study addresses this problem and investigates the local SH parameters using a methodology based on experimental measurements and theoretical calculations. This work focuses on the challenging mono μ-oxo bis μ-acetato dinuclear Mn(III) complex: [Mn(2)(III)(μ-O)(μ-OAc)(2)L(2)](PF(6))(2) (with L = trispyrrolidine-1,4,7-triazacyclononane) (1), which is particularly difficult for EPR spectroscopy because of its large magnetic anisotropy and the weak ferromagnetic interaction between the two Mn(III) ions. High field (up to 12 T) and high frequency (190-345 GHz) EPR experiments have been recorded for 1 between 5 and 50 K. These data have been analyzed by employing a complex Hamiltonian, which encompasses terms describing the local and inter-site interactions. Density functional theory and multireference correlated ab initio calculations have been used to estimate the ZFS of the Mn(III) ions (D(Mn) = +4.29 cm(-1), E(Mn)/D(Mn) = 0.19) and the Euler angles reflecting the relative orientation of the ZFS tensor for each Mn(III) (α = -52°, β = 28°, γ = 3°). This analysis allowed the accurate determination of the local parameters: D(Mn) = +4.50 cm(-1), E(Mn)/D(Mn) = 0.07, α = -35°, β = 23°, γ = 2°. The spin ladder approach has also been applied, but only the parameters of the ground spin state of 1 have been accurately determined (D(4) = +1.540 cm(-1), E(4)/D(4) = 0.107). This is not sufficient to allow for the determination of the local parameters. The validity and practical performance of both approaches have been discussed.

EMR studies of the internal motion of Mn4+ ions in the Sr overdoped (La1-xSrx)(Ga1-yMny)O3 (x/y up to 8) supplemented by magnetic and optical spectroscopy measurements

NASA Astrophysics Data System (ADS)

Aleshkevych, Pavlo; Fink-Finowicki, Jan; Zayarnyuk, Tatiana; Radelytskyi, Igor; Berkowski, Marek; Rudowicz, Czeslaw; Gnutek, Pawel

2015-06-01

The effect of the Sr doping on electronic structure in single crystals of (La1-xSrx)(Ga1-yMny)O3 solid solutions (LSGM) is investigated by means of electron magnetic resonance (EMR). The EMR results are supplemented by magnetic susceptibility and optical spectroscopy measurements. The compositions with small concentration of Mn doping (y < 1%) and overdoped content of Sr (the ratio x(Sr)/y(Mn) up to 8) are used to maximally enhance the role of divalent doping. The experimental results provide evidence of the holes delocalization in the overdoped compound (x(Sr)/y(Mn) > 1). This delocalization is accompanied by appearance of the new charge transfer transitions in the optical spectrum and dynamical valence change of manganese atoms. Additionally we observe the thermally activated narrowing of resonance EMR lines due to the internal motion, which is characterized by the energy barrier depending strongly on the ratio x(Sr)/y(Mn). The energy barrier is found to be associated with the charge carrier (hole) self-trapped energy. Fitting the EMR spectra in three orthogonal planes to an orthorhombic spin Hamiltonian enables extracting the zero-field splitting (ZFS) parameters and the Zeeman g-factors for Mn4+ (S = 3/2) ions in LSGM. The experimental ZFS parameters are modeled using superposition model analysis based on an orthorhombic symmetry approximation.

Quantum-Chemical Approach to NMR Chemical Shifts in Paramagnetic Solids Applied to LiFePO4 and LiCoPO4.

PubMed

Mondal, Arobendo; Kaupp, Martin

2018-04-05

A novel protocol to compute and analyze NMR chemical shifts for extended paramagnetic solids, accounting comprehensively for Fermi-contact (FC), pseudocontact (PC), and orbital shifts, is reported and applied to the important lithium ion battery cathode materials LiFePO 4 and LiCoPO 4 . Using an EPR-parameter-based ansatz, the approach combines periodic (hybrid) DFT computation of hyperfine and orbital-shielding tensors with an incremental cluster model for g- and zero-field-splitting (ZFS) D-tensors. The cluster model allows the use of advanced multireference wave function methods (such as CASSCF or NEVPT2). Application of this protocol shows that the 7 Li shifts in the high-voltage cathode material LiCoPO 4 are dominated by spin-orbit-induced PC contributions, in contrast with previous assumptions, fundamentally changing interpretations of the shifts in terms of covalency. PC contributions are smaller for the 7 Li shifts of the related LiFePO 4 , where FC and orbital shifts dominate. The 31 P shifts of both materials finally are almost pure FC shifts. Nevertheless, large ZFS contributions can give rise to non-Curie temperature dependences for both 7 Li and 31 P shifts.

Joint analysis of ESR lineshapes and 1H NMRD profiles of DOTA-Gd derivatives by means of the slow motion theory

NASA Astrophysics Data System (ADS)

Kruk, D.; Kowalewski, J.; Tipikin, D. S.; Freed, J. H.; Mościcki, M.; Mielczarek, A.; Port, M.

2011-01-01

The "Swedish slow motion theory" [Nilsson and Kowalewski, J. Magn. Reson. 146, 345 (2000)] applied so far to Nuclear Magnetic Relaxation Dispersion (NMRD) profiles for solutions of transition metal ion complexes has been extended to ESR spectral analysis, including in addition g-tensor anisotropy effects. The extended theory has been applied to interpret in a consistent way (within one set of parameters) NMRD profiles and ESR spectra at 95 and 237 GHz for two Gd(III) complexes denoted as P760 and P792 (hydrophilic derivatives of DOTA-Gd, with molecular masses of 5.6 and 6.5 kDa, respectively). The goal is to verify the applicability of the commonly used pseudorotational model of the transient zero field splitting (ZFS). According to this model the transient ZFS is described by a tensor of a constant amplitude, defined in its own principal axes system, which changes its orientation with respect to the laboratory frame according to the isotropic diffusion equation with a characteristic time constant (correlation time) reflecting the time scale of the distortional motion. This unified interpretation of the ESR and NMRD leads to reasonable agreement with the experimental data, indicating that the pseudorotational model indeed captures the essential features of the electron spin dynamics.

Gd(III)-Gd(III) EPR distance measurements--the range of accessible distances and the impact of zero field splitting.

PubMed

Dalaloyan, Arina; Qi, Mian; Ruthstein, Sharon; Vega, Shimon; Godt, Adelheid; Feintuch, Akiva; Goldfarb, Daniella

2015-07-28

Gd(III) complexes have emerged as spin labels for distance determination in biomolecules through double-electron-electron resonance (DEER) measurements at high fields. For data analysis, the standard approach developed for a pair of weakly coupled spins with S = 1/2 was applied, ignoring the actual properties of Gd(III) ions, i.e. S = 7/2 and ZFS (zero field splitting) ≠ 0. The present study reports on a careful investigation on the consequences of this approach, together with the range of distances accessible by DEER with Gd(III) complexes as spin labels. The experiments were performed on a series of specifically designed and synthesized Gd-rulers (Gd-PyMTA-spacer-Gd-PyMTA) covering Gd-Gd distances of 2-8 nm. These were dissolved in D2O-glycerol-d8 (0.03-0.10 mM solutions) which is the solvent used for the corresponding experiments on biomolecules. Q- and W-band DEER measurements, followed by data analysis using the standard data analysis approach, used for S = 1/2 pairs gave the distance-distribution curves, of which the absolute maxima agreed very well with the expected distances. However, in the case of the short distances of 2.1 and 2.9 nm, the distance distributions revealed additional peaks. These are a consequence of neglecting the pseudo-secular term in the dipolar Hamiltonian during the data analysis, as is outlined in a theoretical treatment. At distances of 3.4 nm and above, disregarding the pseudo-secular term leads to a broadening of a maximum of 0.4 nm of the distance-distribution curves at half height. Overall, the distances of up to 8.3 nm were determined, and the long evolution time of 16 μs at 10 K indicates that a distance of up to 9.4 nm can be accessed. A large distribution of the ZFS parameter, D, as is found for most Gd(III) complexes in a frozen solution, is crucial for the application of Gd(III) complexes as spin labels for distance determination via Gd(III)-Gd(III) DEER, especially for short distances. The larger ZFS of Gd-PyMTA, in comparison to that of Gd-DOTA, makes Gd-PyMTA a better label for short distances.

Di-nuclear Cu(I) Complex with Combined Bright TADF and Phosphorescence. Zero-Field Splitting and Spin-Lattice Relaxation Effects of the Triplet State.

PubMed

Schinabeck, Alexander; Leitl, Markus J; Yersin, Hartmut

2018-05-11

The three-fold bridged di-nuclear Cu(I) complex Cu 2 (µ-I) 2 (1N-n-butyl-5-diphenyl-phosphino-1,2,4-triazole) 3 , Cu 2 I 2 (P^N) 3 , shows bright thermally activated delayed fluorescence (TADF) as well as phosphorescence at ambient temperature with a total quantum yield of 85 % at an emission decay time of 7 μs. The singlet(S 1 )-triplet(T 1 ) energy gap is as small as only 430 cm -1 (54 meV). Spin-orbit-coupling induces a short-lived phosphorescence with a decay time of 52 μs (T = 77 K) and a distinct zero-field splitting (ZFS) of T 1 into substates by ≈ 2.5 cm -1 (0.3 meV). Below T ≈ 10 K, effects of spin-lattice relaxation (SLR) are observed and agree with the size of ZFS. According to the combined phosphorescence and TADF, the overall emission decay time is reduced by ≈ 13 % as compared to the TADF-only process. The compound may potentially be applied in solution-processed OLEDs exploiting both the singlet and triplet harvesting mechanisms.

Improved sensitivity for W-band Gd(III)-Gd(III) and nitroxide-nitroxide DEER measurements with shaped pulses

NASA Astrophysics Data System (ADS)

Bahrenberg, Thorsten; Rosenski, Yael; Carmieli, Raanan; Zibzener, Koby; Qi, Mian; Frydman, Veronica; Godt, Adelheid; Goldfarb, Daniella; Feintuch, Akiva

2017-10-01

Chirp and shaped pulses have been recently shown to be highly advantageous for improving sensitivity in DEER (double electron-electron resonance, also called PELDOR) measurements due to their large excitation bandwidth. The implementation of such pulses for pulse EPR has become feasible due to the availability of arbitrary waveform generators (AWG) with high sampling rates to support pulse shaping for pulses with tens of nanoseconds duration. Here we present a setup for obtaining chirp pulses on our home-built W-band (95 GHz) spectrometer and demonstrate its performance on Gd(III)-Gd(III) and nitroxide-nitroxide DEER measurements. We carried out an extensive optimization procedure on two model systems, Gd(III)-PyMTA-spacer-Gd(III)-PyMTA (Gd-PyMTA ruler; zero-field splitting parameter (ZFS) D ∼ 1150 MHz) as well as nitroxide-spacer-nitroxide (nitroxide ruler) to evaluate the applicability of shaped pulses to Gd(III) complexes and nitroxides, which are two important classes of spin labels used in modern DEER/EPR experiments. We applied our findings to ubiquitin, doubly labeled with Gd-DOTA-monoamide (D ∼ 550 MHz) as a model for a system with a small ZFS. Our experiments were focused on the questions (i) what are the best conditions for positioning of the detection frequency, (ii) which pump pulse parameters (bandwidth, positioning in the spectrum, length) yield the best signal-to-noise ratio (SNR) improvements when compared to classical DEER, and (iii) how do the sample's spectral parameters influence the experiment. For the nitroxide ruler, we report an improvement of up to 1.9 in total SNR, while for the Gd-PyMTA ruler the improvement was 3.1-3.4 and for Gd-DOTA-monoamide labeled ubiquitin it was a factor of 1.8. Whereas for the Gd-PyMTA ruler the two setups pump on maximum and observe on maximum gave about the same improvement, for Gd-DOTA-monoamide a significant difference was found. In general the choice of the best set of parameters depends on the D parameter of the Gd(III) complex.

Evaluation of ZFS as an efficient WLCG storage backend

NASA Astrophysics Data System (ADS)

Ebert, M.; Washbrook, A.

2017-10-01

A ZFS based software raid system was tested for performance against a hardware raid system providing storage based on the traditional Linux file systems XFS and EXT4. These tests were done for a healthy raid array as well as for a degraded raid array and during the rebuild of a raid array. It was found that ZFS performs better in almost all test scenarios. In addition, distinct features of ZFS were tested for WLCG data storage use, like compression and higher raid levels with triple redundancy information. The long term reliability was observed after converting all production storage servers at the Edinburgh WLCG Tier-2 site to ZFS, resulting in about 1.2PB of ZFS based storage at this site.

Microscopic spin Hamiltonian approaches for 3d8 and 3d2 ions in a trigonal crystal field - perturbation theory methods versus complete diagonalization methods

NASA Astrophysics Data System (ADS)

Rudowicz, Czeslaw; Yeung, Yau-yuen; Yang, Zi-Yuan; Qin, Jian

2002-06-01

In this paper, we critically review the existing microscopic spin Hamiltonian (MSH) approaches, namely the complete diagonalization method (CDM) and the perturbation theory method (PTM), for 3d8(3d2) ions in a trigonal (C3v, D3, D3d) symmetry crystal field (CF). A new CDM is presented and a CFA/MSH computer package based on our crystal-field analysis (CFA) package for 3dN ions is developed for numerical calculations. Our method takes into account the contribution to the SH parameters (D, g∥ and g⊥) from all 45 CF states for 3d8(3d2) ions and is based on the complete diagonalization of the Hamiltonian including the electrostatic interactions, the CF terms (in the intermediate CF scheme) and the spin-orbit coupling. The CFA/MSH package enables us to study not only the CF energy levels and wavefunctions but also the SH parameters as functions of the CF parameters (B20, B40 and B43 or alternatively Dq, v and v') for 3d8(3d2) ions in trigonal symmetry. Extensive comparative studies of other MSH approaches are carried out using the CFA/MSH package. First, we check the accuracy of the approximate PTM based on the `quasi-fourth-order' perturbation formulae developed by Petrosyan and Mirzakhanyan (PM). The present investigations indicate that the PM formulae for the g-factors (g∥ and g⊥) indeed work well, especially for the cases of small v and v' and large Dq, whereas the PM formula for the zero-field splitting (ZFS) exhibits serious shortcomings. Earlier criticism of the PM approach by Zhou et al (Zhou K W, Zhao S B, Wu P F and Xie J K 1990 Phys. Status Solidi b 162 193) is then revisited. Second, we carry out an extensive comparison of the results of the present CFA/MSH package and those of other CDMs based on the strong- and weak-CF schemes. The CF energy levels and the SH parameters for 3d2 and 3d8 ions at C3v symmetry sites in several crystals are calculated and analysed. Our investigations reveal serious inconsistencies in the CDM results of Zhou et al and Li (Li Y 1995 J. Phys.: Condens. Matter 7 4075) based on the strong-CF scheme for Ni2+ ions in LiNbO3 crystals. The correctness of our CFA/MSH package is verified by comparing our results with the predictions of Ma et al (Ma D P, Ma N, Ma X D and Zhang H M 1998 J. Phys. Chem. Solids 59 1211, Ma D P, Ma X D, Chen J R and Liu Y Y 1997 Phys. Rev. B 56 1780) and Macfarlane (Macfarlane R M 1964 J. Chem. Phys. 40 373) for α-Al2O3 : V3+(3d2) and MgO : Ni2+(3d8). It appears that the two independent approaches show perfect agreement with our approach, unlike those of Zhou et al and Li, which turn out to be unreliable. Our results reveal that the contributions to the ZFS parameter from the higher excited states cannot be neglected; also, the ZFS parameter is very sensitive to slight changes of the crystal structure. Hence our CFA/MSH package, which takes into account the contributions to the ZFS parameter from the higher excited states, can provide reliable results and proves to be a useful tool for the studies of the effect of the lattice distortions, defects and structural disorder on the spectroscopic properties of 3d2 and 3d8 ions at trigonal symmetry sites in crystals.

Low-valent low-coordinated manganese(I) ion dimer: a temperature dependent W-band EPR study.

PubMed

Sorace, Lorenzo; Golze, Christian; Gatteschi, Dante; Bencini, Alessandro; Roesky, Herbert W; Chai, Jianfang; Stückl, A Claudia

2006-01-09

W-Band EPR spectra of [[HC(CMeNAr)(2)]Mn](2) (Ar = 2,6-(i)Pr(2)C(6)H(3)) have been measured at different temperatures. The spectra show a behavior which is typical for an antiferromagnetically coupled dimer with excited states populating upon increasing temperature. By following the intensity variation of the different features of the spectra with temperature, we attributed different groups of resonances to the S = 1, 2, and 3 states of the dimer. Their corresponding spin Hamiltonian parameters were derived from simulations. The zero-field-splitting parameters measured in this way were D(S=1) = 1.57 cm(-1) and E(S=1) = 0.064 cm(-1), D(S=2) = 0.266 cm(-1) and E(S=2) = 0.0045 cm(-1), and D(S=3) = 0.075 cm(-1) and E(S=3) = 0. On the basis of the molecular structure of the system, we could estimate that zero-field splitting (ZFS) is the result of anisotropic exchange and single-ion anisotropic contributions of similar magnitude (|D| approximately 0.2 cm(-1)). These results allow a deeper insight into the electronic structure of the Mn(I) centers in low-coordination environments, further supporting the electronic structure of Mn(I) to be 4s(1)3d(5), as previously indicated by DFT calculations.

Ab initio and DFT studies of the spin-orbit and spin-spin contributions to the zero-field splitting tensors of triplet nitrenes with aryl scaffolds.

PubMed

Sugisaki, Kenji; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Kitagawa, Masahiro; Takui, Takeji

2011-04-21

Spin-orbit and spin-spin contributions to the zero-field splitting (ZFS) tensors (D tensors) of spin-triplet phenyl-, naphthyl-, and anthryl-nitrenes in their ground state are investigated by quantum chemical calculations, focusing on the effects of the ring size and substituted position of nitrene on the D tensor. A hybrid CASSCF/MRMP2 approach to the spin-orbit term of the D tensor (D(SO) tensor), which was recently proposed by us, has shown that the spin-orbit contribution to the entire D value, termed the ZFS parameter or fine-structure constant, is about 10% in all the arylnitrenes under study and less depends on the size and connectivity of the aryl groups. Order of the absolute values for D(SO) can be explained by the perturbation on the energy level and spatial distributions of π-SOMO through the orbital interaction between SOMO of the nitrene moiety and frontier orbitals of the aryl scaffolds. Spin-spin contribution to the D tensor (D(SS) tensor) has been calculated in terms of the McWeeny-Mizuno equation with the DFT/EPR-II spin densities. The D(SS) value calculated with the RO-B3LYP spin density agrees well with the D(Exptl) -D(SO) reference value in phenylnitrene, but agreement with the reference value gradually becomes worse as the D value decreases. Exchange-correlation functional dependence on the D(SS) tensor has been explored with standard 23 exchange-correlation functionals in both RO- and U-DFT methodologies, and the RO-HCTH/407 method gives the best agreement with the D(Exptl) -D(SO) reference value. Significant exchange-correlation functional dependence is observed in spin-delocalized systems such as 9-anthrylnitrene (6). By employing the hybrid CASSCF/MRMP2 approach and the McWeeny-Mizuno equation combined with the RO-HCTH/407/EPR-II//U-HCTH/407/6-31G* spin densities for D(SO) and D(SS), respectively, a quantitative agreement with the experiment is achieved with errors less than 10% in all the arylnitrenes under study. Guidelines to the putative approaches to D(SS) tensor calculations are given.

Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+-OI2- defect center in KTaO3 crystal

NASA Astrophysics Data System (ADS)

Gnutek, P.; Y Yang, Z.; Rudowicz, C.

2009-11-01

The local structure and the spin Hamiltonian (SH) parameters, including the zero-field-splitting (ZFS) parameters D and (a+2F/3), and the Zeeman g factors g_{\\parallel } and g_{\\perp } , are theoretically investigated for the FeK3+-OI2- center in KTaO3 crystal. The microscopic SH (MSH) parameters are modeled within the framework of the crystal field (CF) theory employing the CF analysis (CFA) package, which also incorporates the MSH modules. Our approach takes into account the spin-orbit interaction as well as the spin-spin and spin-other-orbit interactions omitted in previous studies. The superposition model (SPM) calculations are carried out to provide input CF parameters for the CFA/MSH package. The combined SPM-CFA/MSH approach is used to consider various structural models for the FeK3+-OI2- defect center in KTaO3. This modeling reveals that the off-center displacement of the Fe3+ ions, Δ1(Fe3+), combined with an inward relaxation of the nearest oxygen ligands, Δ2(O2-), and the existence of the interstitial oxygen OI2- give rise to a strong tetragonal crystal field. This finding may explain the large ZFS experimentally observed for the FeK3+-OI2- center in KTaO3. Matching the theoretical MSH predictions with the available structural data as well as electron magnetic resonance (EMR) and optical spectroscopy data enables predicting reasonable ranges of values of Δ1(Fe3+) and Δ2(O2-) as well as the possible location of OI2- ligands around Fe3+ ions in KTaO3. The defect structure model obtained using the SPM-CFA/MSH approach reproduces very well the ranges of the experimental SH parameters D, g_{\\parallel } and g_{\\perp } and importantly yields not only the correct magnitude of D but also the sign, unlike previous studies. More reliable predictions may be achieved when experimental data on (a+2F/3) and/or crystal field energy levels become available. Comparison of our results with those arising from alternative models existing in the literature indicates considerable advantages of our method and presumably higher reliability of our predictions.

Correlation of EMR and optical spectroscopy data for Cr3+ and Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4 crystal - Extracting low symmetry aspects

NASA Astrophysics Data System (ADS)

Rudowicz, Czesław; Gnutek, Paweł; Açıkgöz, Muhammed

2015-08-01

In this study, the crystal field analysis for Cr3+ and Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4, for short YAB, crystal has been carried out to complement earlier study of the zero-field splitting (ZFS) parameters (ZFSPs). This analysis utilizes data on the distortion models obtained from analysis of the ZFSPs obtained experimentally by EMR for Cr3+ and Mn2+ ions at the Y3+ and Al3+ sites in YAB. This approach enables to verify and enhance reliability of the ZFSP modeling based on superposition model (SPM) analysis and the distortion models predicted previously. Subsequently, modeling of the crystal field parameters (CFPs) based on SPM analysis is carried out for Cr3+ and Mn2+ ions located at possible cation sites in YAB. The SPM predicted CFP values serve as input for the Crystal Field Analysis (CFA) package to calculate the CF energy levels. The predicted physical ZFS of the ground spin state, i.e. the 4A2 state for Cr3+ ion and the 6S state Mn2+ ions, enable calculation of the theoretical ZFSP values, D and D & (a-F), respectively, using the microscopic spin Hamiltonian (MSH) module in the CFA package. In this way, data on the distortions around the Cr3+ centers in YAB (and to a certain extent also for Mn2+ centers) obtained using the ZFSP data from EMR measurements may be correlated with data on the CF energy levels measured by optical spectroscopy. This modeling approach uncovers certain incompatibilities in the existing data for Cr3+:YAB, which call for reanalysis of the previous assignments of the energy levels observed in optical spectra and more accurate experimental data.

Time domain simulation of Gd3+-Gd3+ distance measurements by EPR

NASA Astrophysics Data System (ADS)

Manukovsky, Nurit; Feintuch, Akiva; Kuprov, Ilya; Goldfarb, Daniella

2017-07-01

Gd3+-based spin labels are useful as an alternative to nitroxides for intramolecular distance measurements at high fields in biological systems. However, double electron-electron resonance (DEER) measurements using model Gd3+ complexes featured a low modulation depth and an unexpected broadening of the distance distribution for short Gd3+-Gd3+ distances, when analysed using the software designed for S = 1/2 pairs. It appears that these effects result from the different spectroscopic characteristics of Gd3+—the high spin, the zero field splitting (ZFS), and the flip-flop terms in the dipolar Hamiltonian that are often ignored for spin-1/2 systems. An understanding of the factors affecting the modulation frequency and amplitude is essential for the correct analysis of Gd3+-Gd3+ DEER data and for the educated choice of experimental settings, such as Gd3+ spin label type and the pulse parameters. This work uses time-domain simulations of Gd3+-Gd3+ DEER by explicit density matrix propagation to elucidate the factors shaping Gd3+ DEER traces. The simulations show that mixing between the |+½, -½> and |-½, +½> states of the two spins, caused by the flip-flop term in the dipolar Hamiltonian, leads to dampening of the dipolar modulation. This effect may be mitigated by a large ZFS or by pulse frequency settings allowing for a decreased contribution of the central transition and the one adjacent to it. The simulations reproduce both the experimental line shapes of the Fourier-transforms of the DEER time domain traces and the trends in the behaviour of the modulation depth, thus enabling a more systematic design and analysis of Gd3+ DEER experiments.

Interplay of spin-dependent delocalization and magnetic anisotropy in the ground and excited states of [Gd2@C78]- and [Gd2@C80]-

NASA Astrophysics Data System (ADS)

Mansikkamäki, Akseli; Popov, Alexey A.; Deng, Qingming; Iwahara, Naoya; Chibotaru, Liviu F.

2017-09-01

The magnetic properties and electronic structure of the ground and excited states of two recently characterized endohedral metallo-fullerenes, [Gd2@C78]- (1) and [Gd2@C80]- (2), have been studied by theoretical methods. The systems can be considered as [Gd2]5+ dimers encapsulated in a fullerene cage with the fifteen unpaired electrons ferromagnetically coupled into an S = 15/2 high-spin configuration in the ground state. The microscopic mechanisms governing the Gd-Gd interactions leading to the ferromagnetic ground state are examined by a combination of density functional and ab initio calculations and the full energy spectrum of the ground and lowest excited states is constructed by means of ab initio model Hamiltonians. The ground state is characterized by strong electron delocalization bordering on a σ type one-electron covalent bond and minor zero-field splitting (ZFS) that is successfully described as a second order spin-orbit coupling effect. We have shown that the observed ferromagnetic interaction originates from Hund's rule coupling and not from the conventional double exchange mechanism. The calculated ZFS parameters of 1 and 2 in their optimized geometries are in qualitative agreement with experimental EPR results. The higher excited states display less electron delocalization, but at the same time they possess unquenched first-order angular momentum. This leads to strong spin-orbit coupling and highly anisotropic energy spectrum. The analysis of the excited states presented here constitutes the first detailed study of the effects of spin-dependent delocalization in the presence of first order orbital angular momentum and the obtained results can be applied to other mixed valence lanthanide systems.

Zero field splitting fluctuations induced phase relaxation of Gd3+ in frozen solutions at cryogenic temperatures

NASA Astrophysics Data System (ADS)

Raitsimring, A.; Dalaloyan, A.; Collauto, A.; Feintuch, A.; Meade, T.; Goldfarb, D.

2014-11-01

Distance measurements using double electron-electron resonance (DEER) and Gd3+ chelates for spin labels (GdSL) have been shown to be an attractive alternative to nitroxide spin labels at W-band (95 GHz). The maximal distance that can be accessed by DEER measurements and the sensitivity of such measurements strongly depends on the phase relaxation of Gd3+ chelates in frozen, glassy solutions. In this work, we explore the phase relaxation of Gd3+-DOTA as a representative of GdSL in temperature and concentration ranges typically used for W-band DEER measurements. We observed that in addition to the usual mechanisms of phase relaxation known for nitroxide based spin labels, GdSL are subjected to an additional phase relaxation mechanism that features an increase in the relaxation rate from the center to the periphery of the EPR spectrum. Since the EPR spectrum of GdSL is the sum of subspectra of the individual EPR transitions, we attribute this field dependence to transition dependent phase relaxation. Using simulations of the EPR spectra and its decomposition into the individual transition subspectra, we isolated the phase relaxation of each transition and found that its rate increases with |ms|. We suggest that this mechanism is due to transient zero field splitting (tZFS), where its magnitude and correlation time are scaled down and distributed as compared with similar situations in liquids. This tZFS induced phase relaxation mechanism becomes dominant (or at least significant) when all other well-known phase relaxation mechanisms, such as spectral diffusion caused by nuclear spin diffusion, instantaneous and electron spin spectral diffusion, are significantly suppressed by matrix deuteration and low concentration, and when the temperature is sufficiently low to disable spin lattice interaction as a source of phase relaxation.

Exact Mapping from Many-Spin Hamiltonians to Giant-Spin Hamiltonians.

PubMed

Ghassemi Tabrizi, Shadan; Arbuznikov, Alexei V; Kaupp, Martin

2018-03-26

Thermodynamic and spectroscopic data of exchange-coupled molecular spin clusters (e.g. single-molecule magnets) are routinely interpreted in terms of two different models: the many-spin Hamiltonian (MSH) explicitly considers couplings between individual spin centers, while the giant-spin Hamiltonian (GSH) treats the system as a single collective spin. When isotropic exchange coupling is weak, the physical compatibility between both spin Hamiltonian models becomes a serious concern, due to mixing of spin multiplets by local zero-field splitting (ZFS) interactions ('S-mixing'). Until now, this effect, which makes the mapping MSH→GSH ('spin projection') non-trivial, had only been treated perturbationally (up to third order), with obvious limitations. Here, based on exact diagonalization of the MSH, canonical effective Hamiltonian theory is applied to construct a GSH that exactly matches the energies of the relevant (2S+1) states comprising an effective spin multiplet. For comparison, a recently developed strategy for the unique derivation of effective ('pseudospin') Hamiltonians, now routinely employed in ab initio calculations of mononuclear systems, is adapted to the problem of spin projection. Expansion of the zero-field Hamiltonian and the magnetic moment in terms of irreducible tensor operators (or Stevens operators) yields terms of all ranks k (up to k=2S) in the effective spin. Calculations employing published MSH parameters illustrate exact spin projection for the well-investigated [Ni(hmp)(dmb)Cl] 4 ('Ni 4 ') single-molecule magnet, which displays weak isotropic exchange (dmb=3,3-dimethyl-1-butanol, hmp - is the anion of 2-hydroxymethylpyridine). The performance of the resulting GSH in finite field is assessed in terms of EPR resonances and diabolical points. The large tunnel splitting in the M=± 4 ground doublet of the S=4 multiplet, responsible for fast tunneling in Ni 4 , is attributed to a Stevens operator with eightfold rotational symmetry, marking the first quantification of a k=8 term in a spin cluster. The unique and exact mapping MSH→GSH should be of general importance for weakly-coupled systems; it represents a mandatory ultimate step for comparing theoretical predictions (e.g. from quantum-chemical calculations) to ZFS, hyperfine or g-tensors from spectral fittings. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Zero-Fidelity Simulation: Engaging Team Coordination without Physical, Functional, or Psychological Re-Creation

NASA Technical Reports Server (NTRS)

Toups, Zachary O.; Hamilton, William A.; Kerne, Andruid

2012-01-01

Team coordination is essential across domains, enabling efficiency and safety. As technology improves, our temptation is to simulate with ever-higher fidelity, by making simulators re-create reality through their physical interfaces, functionality, and by making participants believe they are undertaking the simulated task. However, high-fidelity simulations often miss salient human-human work practices. We introduce the concept of zero-fidelity simulation (ZFS), a move away from literal high-fidelity mimesis of the concrete environment. ZFS alternatively models cooperation and communication as the basis of simulation. The ZFS Team Coordination Game (TeC) is developed from observation of fire emergency response work practice. We identify ways in which team members are mutually dependent on one another for information, and use these as the basis for the ZFS game design. The design creates a need for cooperation by restricting individual activity and requiring communication. The present research analyzes the design of interdependence in the validated ZFS TeC game. We successfully simulate interdependence between roles in emergency response without simulating the concrete environment.

Addition of DNA to CrVI and Cytochrome b5 Containing Proteoliposomes Leads to Generation of DNA Strand Breaks and CrIII Complexes

PubMed Central

Borthiry, Griselda R.; Antholine, William E.; Myers, Judith M.; Myers, Charles R.

2009-01-01

Chromium (Cr) is a cytotoxic metal that can be associated with a variety of types of DNA damage, including Cr-DNA adducts and strand breaks. Prior studies with purified human cytochrome b5 and NADPH :P450 reductase in reconstituted proteoliposomes (PLs) demonstrated rapid reduction of CrVI (hexavalent chromium, as CrO42− ), and the generation of CrV, superoxide (O2·−) , and hydroxyl radical (HO˙). Studies reported here examined the potential for the species produced by this system to interact with DNA. Strand breaks of purified plasmid DNA increased over time aerobically, but were not observed in the absence of O2. CrV is formed under both conditions, so the breaks are not mediated directly by CrV. The aerobic strand breaks were significantly prevented by catalase and EtOH, but not by the metal chelator diethylenetriaminepentaacetic acid (DTPA), suggesting that they are largely due to HO˙ from Cr-mediated redox cycling. EPR was used to assess the formation of Cr-DNA complexes. Following a 10-min incubation of PLs, CrO42− , and plasmid DNA, intense EPR signals at g = 5.7and g = 5.0 were observed. These signals are attributed to specific CrIII complexes with large zero field splitting (ZFS). Without DNA, the signals in the g = 5 region were weak. The large ZFS signals were not seen, when CrIIICl3 was incubated with DNA, suggesting that the CrIII–DNA interactions are different when generated by the PLs. After 24 h, a broad signal at g = 2 is attributed to CrIII complexes with a small ZFS. This g = 2 signal was observed without DNA, but it was different from that seen with plasmid. It is concluded that EPR can detect specific CrIII complexes that depend on the presence of plasmid DNA and the manner in which the CrIII is formed. PMID:18729091

Eight- and six-coordinated Mn(II) complexes of heteroaromatic alcohol and aldehyde: Crystal structure, spectral, magnetic, thermal and antibacterial activity studies

NASA Astrophysics Data System (ADS)

Jabłońska-Wawrzycka, Agnieszka; Barszcz, Barbara; Zienkiewicz, Małgorzata; Hodorowicz, Maciej; Jezierska, Julia; Stadnicka, Katarzyna; Lechowicz, Łukasz; Kaca, Wiesław

2014-08-01

Crystal, molecular and electronic structure of new manganese(II) compounds: [Mn(2-CH2OHpy)2(NO3)2] (1), [Mn(4-CHO-5-MeIm)2(NO3)2] (2) and [Mn(4-CHO-5-MeIm)2Cl2] (3), where 2-hydroxymethylpyridine (2-CH2OHpy) and 5(4)-carbaldehyde-4(5)-methylimidazole (5(4)-CHO-4(5)-MeIm), have been characterised using X-ray, spectroscopic, magnetic and TG/DTG data. In compounds 1 and 2, the Mn(II) ion is eight-coordinated forming distorted pseudo-dodecahedron, that is rather unusual for the manganese(II) complexes, whereas in 3 the Mn(II) ion environment is a distorted octahedron. The high coordination number (CN = 8) of 1 and 2 results from bidentate character of the nitrate ligands. The X-band EPR spectra of compounds 2 and 3 exhibit fine structure signals resulting from zero-field splitting (ZFS) of the spin states for high spin d5 Mn(II), whereas for 1 the broad isotropic signals were observed. The estimation of ZFS for individual Mn(II) ions was carried out for all compounds using DFT calculations. The free ligands and their manganese(II) complexes have been tested in vitro against gram-positive and gram-negative bacteria in order to assess their antimicrobial properties.

Electronic structure and nature of the ground state of the mixed-valence binuclear tetra(mu-1,8-naphthyridine-N,N')-bis(halogenonickel) tetraphenylborate complexes: experimental and DFT characterization.

PubMed

Bencini, Alessandro; Berti, Elisabetta; Caneschi, Andrea; Gatteschi, Dante; Giannasi, Elisa; Invernizzi, Ivana

2002-08-16

The ground state electronic structure of the mixed-valence systems [Ni(2)(napy)(4)X(2)](BPh(4)) (napy=1,8-naphthyridine; X=Cl, Br, I) was studied with combined experimental (X-ray diffraction, temperature dependence of the magnetic susceptibility, and high-field EPR spectroscopy) and theoretical (DFT) methods. The zero-field splitting (zfs) ground S=3/2 spin state is axial with /D/ approximately 3 cm(-1). The iodide derivative was found to be isostructural with the previously reported bromide complex, but not isomorphous. The compound crystallizes in the monoclinic system, space group P2(1)/n, with a=17.240(5), b=26.200(5), c=11.340(5) A, beta=101.320(5) degrees. DFT calculations were performed on the S=3/2 state to characterize the ground state potential energy surface as a function of the nuclear displacements. The molecules can thus be classified as Class III mixed-valence compounds with a computed delocalization parameter, B=3716, 3583, and 3261 cm(-1) for the Cl, Br, and I derivatives, respectively.

Photoexcited singlet and triplet states of a UV absorber ethylhexyl methoxycrylene.

PubMed

Kikuchi, Azusa; Hata, Yuki; Kumasaka, Ryo; Nanbu, Yuichi; Yagi, Mikio

2013-01-01

The excited states of UV absorber, ethylhexyl methoxycrylene (EHMCR) have been studied through measurements of UV absorption, fluorescence, phosphorescence and electron paramagnetic resonance (EPR) spectra in ethanol. The energy levels of the lowest excited singlet (S1) and triplet (T1) states of EHMCR were determined. The energy levels of the S1 and T1 states of EHMCR are much lower than those of photolabile 4-tert-butyl-4'-methoxydibenzoylmethane. The energy levels of the S1 and T1 states of EHMCR are lower than those of octyl methoxycinnamate. The weak phosphorescence and EPR B(min) signals were observed and the lifetime was estimated to be 93 ms. These facts suggest that the significant proportion of the S1 molecules undergoes intersystem crossing to the T1 state, and the deactivation process from the T1 state is predominantly radiationless. The photostability of EHMCR arises from the (3)ππ* character in the T1 state. The zero-field splitting (ZFS) parameter in the T1 state is D** = 0.113 cm(-1). © 2012 The Authors Photochemistry and Photobiology © 2012 The American Society of Photobiology.

Electron Spin Resonance and optical absorption spectroscopic studies of manganese centers in aluminium lead borate glasses.

PubMed

SivaRamaiah, G; LakshmanaRao, J

2012-12-01

Electron Spin Resonance (ESR) and optical absorption studies of 5Al(2)O(3)+75H(3)BO(3)+(20-x)PbO+xMnSO(4) (where x=0.5, 1,1.5 and 2 mol% of MnSO(4)) glasses at room temperature have been studied. The ESR spectrum of all the glasses exhibits resonance signals with effective isotropic g values at ≈2.0, 3.3 and 4.3. The ESR resonance signal at isotropic g≈2.0 has been attributed to Mn(2+) centers in an octahedral symmetry. The ESR resonance signals at isotropic g≈3.3 and 4.3 have been attributed to the rhombic symmetry of the Mn(2+) ions. The zero-field splitting parameter (zfs) has been calculated from the intensities of the allowed hyperfine lines. The optical absorption spectrum exhibits an intense band in the visible region and it has been attributed to (5)E(g)→(5)T(2g) transition of Mn(3+)centers in an octahedral environment. The optical band gap and the Urbach energies have been calculated from the ultraviolet absorption edges. Copyright © 2012 Elsevier B.V. All rights reserved.

Dominant Majorana bound energy and critical current enhancement in ferromagnetic-superconducting topological insulator

NASA Astrophysics Data System (ADS)

Khezerlou, Maryam; Goudarzi, Hadi; Asgarifar, Samin

2017-03-01

Among the potential applications of topological insulators, we theoretically study the coexistence of proximity-induced ferromagnetic and superconducting orders in the surface states of a 3-dimensional topological insulator. The superconducting electron-hole excitations can be significantly affected by the magnetic order induced by a ferromagnet. In one hand, the surface state of the topological insulator, protected by the time-reversal symmetry, creates a spin-triplet and, on the other hand, magnetic order causes to renormalize the effective superconducting gap. We find Majorana mode energy along the ferromagnet/superconductor interface to sensitively depend on the magnitude of magnetization m zfs from superconductor region, and its slope around perpendicular incidence is steep with very low dependency on m zfs . The superconducting effective gap is renormalized by a factor η( m zfs ), and Andreev bound state in ferromagnet-superconductor/ferromagnet/ferromagnet-superconductor (FS/F/FS) Josephson junction is more sensitive to the magnitude of magnetizations of FS and F regions. In particular, we show that the presence of m zfs has a noticeable impact on the gap opening in Andreev bound state, which occurs in finite angle of incidence. This directly results in zero-energy Andreev state being dominant. By introducing the proper form of corresponding Dirac spinors for FS electron-hole states, we find that via the inclusion of m zfs , the Josephson supercurrent is enhanced and exhibits almost abrupt crossover curve, featuring the dominant zero-energy Majorana bound states.

ZFS on RBODs - Leveraging RAID Controllers for Metrics and Enclosure Management

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

Stearman, D. M.

2015-03-30

Traditionally, the Lustre file system has relied on the ldiskfs file system with reliable RAID (Redundant Array of Independent Disks) storage underneath. As of Lustre 2.4, ZFS was added as a backend file system, with built-in software RAID, thereby removing the need of expensive RAID controllers. ZFS was designed to work with JBOD (Just a Bunch Of Disks) storage enclosures under the Solaris Operating System, which provided a rich device management system. Long time users of the Lustre file system have relied on the RAID controllers to provide metrics and enclosure monitoring and management services, with rich APIs and commandmore » line interfaces. This paper will study a hybrid approach using an advanced full featured RAID enclosure which is presented to the host as a JBOD, This RBOD (RAIDed Bunch Of Disks) allows ZFS to do the RAID protection and error correction, while the RAID controller handles management of the disks and monitors the enclosure. It was hoped that the value of the RAID controller features would offset the additional cost, and that performance would not suffer in this mode. The test results revealed that the hybrid RBOD approach did suffer reduced performance.« less

Genetic and epigenetic mutations affect the DNA binding capability of human ZFP57 in transient neonatal diabetes type 1

PubMed Central

Baglivo, Ilaria; Esposito, Sabrina; De Cesare, Lucia; Sparago, Angela; Anvar, Zahra; Riso, Vincenzo; Cammisa, Marco; Fattorusso, Roberto; Grimaldi, Giovanna; Riccio, Andrea; Pedone, Paolo V.

2013-01-01

In the mouse, ZFP57 contains three classical Cys2His2 zinc finger domains (ZF) and recognizes the methylated TGCmetCGC target sequence using the first and the second ZFs. In this study, we demonstrate that the human ZFP57 (hZFP57) containing six Cys2His2 ZFs, binds the same methylated sequence through the third and the fourth ZFs, and identify the aminoacids critical for DNA interaction. In addition, we present evidences indicating that hZFP57 mutations and hypomethylation of the TNDM1 ICR both associated with Transient Neonatal Diabetes Mellitus type 1 result in loss of hZFP57 binding to the TNDM1 locus, likely causing PLAGL1 activation. PMID:23499433

Syntheses, X-ray structures, solid state high-field electron paramagnetic resonance, and density-functional theory investigations on chloro and aqua Mn(II) mononuclear complexes with amino-pyridine pentadentate ligands.

PubMed

Hureau, Christelle; Groni, Sihem; Guillot, Régis; Blondin, Geneviève; Duboc, Carole; Anxolabéhère-Mallart, Elodie

2008-10-20

The two pentadentate amino-pyridine ligands L5(2) and L5(3) (L5(2) and L5(3) stand for the N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine and the N-methyl-N,N',N'-tris(2-pyridylmethyl)propane-1,3-diamine, respectively) were used to synthesize four mononuclear Mn(II) complexes, namely [(L5(2))MnCl](PF6) (1(PF6)), [(L5(3))MnCl](PF6) (2(PF6)), [(L5(2))Mn(OH2)](BPh4)2 (3(BPh4)2), and [(L5(3))Mn(OH2)](BPh4)2 (4(BPh4)2). The X-ray diffraction studies revealed different configurations for the ligand L5(n) (n = 2, 3) depending on the sixth exogenous ligand and/or the counterion. Solid state high-field electron paramagnetic resonance spectra were recorded on complexes 1-4 as on previously described mononuclear Mn(II) systems with tetra- or hexadentate amino-pyridine ligands. Positive and negative axial zero-field splitting (ZFS) parameters D were determined whose absolute values ranged from 0.090 to 0.180 cm(-1). Density-functional theory calculations were performed unraveling that, in contrast with chloro systems, the spin-spin and spin-orbit coupling contributions to the D-parameter are comparable for mixed N,O-coordination sphere complexes.

Single crystal EPR, optical absorption and superposition model study of Cr3+ doped ammonium dihydrogen phosphate.

PubMed

Kripal, Ram; Pandey, Sangita

2010-06-01

The electron paramagnetic resonance (EPR) studies are carried out on Cr(3+) ion doped ammonium dihydrogen phosphate (ADP) single crystals at room temperature. Four magnetically inequivalent sites for chromium are observed. No hyperfine structure is obtained. The crystal-field and spin Hamiltonian parameters are calculated from the resonance lines obtained at different angular rotations. The zero field and spin Hamiltonian parameters of Cr(3+) ion in ADP are calculated as: |D|=(257+/-2) x 10(-4) cm(-1), |E|=(79+/-2) x 10(-4) cm(-1), g=1.9724+/-0.0002 for site I; |D|=(257+/-2) x 10(-4) cm(-1), |E|=(77+/-2) x 10(-4) cm(-1), g=1.9727+/-0.0002 for site II; |D|=(259+/-2) x 10(-4) cm(-1), |E|=(78+/-2) x 10(-4) cm(-1), g=1.9733+/-0.0002 for site III; |D|=(259+/-2) x 10(-4) cm(-1), |E|=(77+/-2) x 10(-4) cm(-1), g=1.973+/-0.0002 for site IV, respectively. The site symmetry of Cr(3+) doped single crystal is discussed on the basis of EPR data. The Cr(3+) ion enters the lattice substitutionally replacing the NH(4)(+) sites. The optical absorption spectra are recorded in 195-925 nm wavelength range at room temperature. The energy values of different orbital levels are determined. On the basis of EPR and optical data, the nature of bonding in the crystal is discussed. The calculated values of Racah interelectronic repulsion parameters (B and C), cubic crystal-field splitting parameter (D(q)) and nephelauxetic parameters (h and k) are: B=640, C=3070, D(q)=2067 cm(-1), h=1.44 and k=0.21, respectively. ZFS parameters are also determined using B(kq) parameters from superposition model. Copyright 2010 Elsevier B.V. All rights reserved.

The origin of phosphorescence in Iridium (III) complexes. The role of relativistic effects

NASA Astrophysics Data System (ADS)

Cantero-López, Plinio; Páez-Hernández, Dayan; Arratia-Pérez, Ramiro

2017-10-01

A series of luminescent Ir(III) complexes of the type [Ir(F2ppy)2L] (where L = Lpytz , LOMe , Lbut) have been studied using relativistic two-component density functional theory considering the spin-orbit coupling. The absorption spectra of the three complexes were determined. The most important transition appears in the region between 250 and 350 nm, which is in good agreement with the experimental reports. The three complexes show phosphorescent properties due to a metal-ligand charge transfer (MLCT) process, where the spin-orbit coupling (SOC) plays a key role due to the introduction of a zero field splitting (ZFS) and the mixing of states with different spins which contributes to modify the emission selection rule. The lifetimes of the emission processes were calculated, and the values are in the same order of the experimental reports.

Genetic and epigenetic mutations affect the DNA binding capability of human ZFP57 in transient neonatal diabetes type 1.

PubMed

Baglivo, Ilaria; Esposito, Sabrina; De Cesare, Lucia; Sparago, Angela; Anvar, Zahra; Riso, Vincenzo; Cammisa, Marco; Fattorusso, Roberto; Grimaldi, Giovanna; Riccio, Andrea; Pedone, Paolo V

2013-05-21

In the mouse, ZFP57 contains three classical Cys2His2 zinc finger domains (ZF) and recognizes the methylated TGC(met)CGC target sequence using the first and the second ZFs. In this study, we demonstrate that the human ZFP57 (hZFP57) containing six Cys2His2 ZFs, binds the same methylated sequence through the third and the fourth ZFs, and identify the aminoacids critical for DNA interaction. In addition, we present evidences indicating that hZFP57 mutations and hypomethylation of the TNDM1 ICR both associated with Transient Neonatal Diabetes Mellitus type 1 result in loss of hZFP57 binding to the TNDM1 locus, likely causing PLAGL1 activation. Copyright © 2013 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

Temperature dependence of local structural changes around transition metal centers Cr3+ and Mn2+ in RAl3(BO3)4 crystals studied by EMR

NASA Astrophysics Data System (ADS)

Açıkgöz, Muhammed; Rudowicz, Czesław; Gnutek, Paweł

2017-11-01

Theoretical investigations are carried out to determine the temperature dependence of the local structural parameters of Cr3+ and Mn2+ ions doped into RAl3(BO3)4 (RAB, R = Y, Eu, Tm) crystals. The zero-field splitting (ZFS) parameters (ZFSPs) obtained from the spin Hamiltonian (SH) analysis of EMR (EPR) spectra serve for fine-tuning the theoretically predicted ZFSPs obtained using the semi-empirical superposition model (SPM). The SPM analysis enables to determine the local structure changes around Cr3+ and Mn2+ centers in RAB crystals and explain the observed temperature dependence of the ZFSPs. The local monoclinic C2 site symmetry of all Al sites in YAB necessitates consideration of one non-zero monoclinic ZFSP (in the Stevens notation, b21) for Cr3+ ions. However, the experimental second-rank ZFSPs (D =b20 , E = 1 / 3b22) were expressed in a nominal principal axis system. To provide additional insight into low symmetry aspects, the distortions (ligand's distances ΔRi and angular distortions Δθi) have been varied while preserving monoclinic site symmetry, in such way as to obtain the calculated values (D, E) close to the experimental ones, while keeping b21 close to zero. This procedure yields good matching of the calculated ZFSPs and the experimental ones, and enables determination of the corresponding local distortions. The present results may be useful in future studies aimed at technological applications of the Huntite-type borates with the formula RM3(BO3)4. The model parameters determined here may be utilized for ZFSP calculations for Cr3+ and Mn2+ ions at octahedral sites in single-molecule magnets and single-chain magnets.

Tuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) Complexes.

PubMed

Schweinfurth, David; Krzystek, J; Atanasov, Mihail; Klein, Johannes; Hohloch, Stephan; Telser, Joshua; Demeshko, Serhiy; Meyer, Franc; Neese, Frank; Sarkar, Biprajit

2017-05-01

Understanding the origin of magnetic anisotropy and having the ability to tune it are essential needs of the rapidly developing field of molecular magnetism. Such attempts at determining the origin of magnetic anisotropy and its tuning are still relatively infrequent. One candidate for such attempts are mononuclear Co(II) complexes, some of which have recently been shown to possess slow relaxation of their magnetization. In this contribution we present four different five-coordinated Co(II) complexes, 1-4, that contain two different "click" derived tetradentate tripodal ligands and either Cl - or NCS - as an additional, axial ligand. The geometric structures of all four complexes are very similar. Despite this, major differences are observed in their electronic structures and hence in their magnetic properties as well. A combination of temperature dependent susceptibility measurements and high-frequency and -field EPR (HFEPR) spectroscopy was used to accurately determine the magnetic properties of these complexes, expressed through the spin Hamiltonian parameters: g-values and zero-field splitting (ZFS) parameters D and E. A combination of optical d-d absorption spectra together with ligand field theory was used to determine the B and Dq values of the complexes. Additionally, state of the art quantum chemical calculations were applied to obtain bonding parameters and to determine the origin of magnetic anisotropy in 1-4. This combined approach showed that the D values in these complexes are in the range from -9 to +9 cm -1 . Correlations have been drawn between the bonding nature of the ligands and the magnitude and sign of D. These results will thus have consequences for generating novel Co(II) complexes with tunable magnetic anisotropy and hence contribute to the field of molecular magnetism.

The zinc fingers of YY1 bind single-stranded RNA with low sequence specificity.

PubMed

Wai, Dorothy C C; Shihab, Manar; Low, Jason K K; Mackay, Joel P

2016-11-02

Classical zinc fingers (ZFs) are traditionally considered to act as sequence-specific DNA-binding domains. More recently, classical ZFs have been recognised as potential RNA-binding modules, raising the intriguing possibility that classical-ZF transcription factors are involved in post-transcriptional gene regulation via direct RNA binding. To date, however, only one classical ZF-RNA complex, that involving TFIIIA, has been structurally characterised. Yin Yang-1 (YY1) is a multi-functional transcription factor involved in many regulatory processes, and binds DNA via four classical ZFs. Recent evidence suggests that YY1 also interacts with RNA, but the molecular nature of the interaction remains unknown. In the present work, we directly assess the ability of YY1 to bind RNA using in vitro assays. Systematic Evolution of Ligands by EXponential enrichment (SELEX) was used to identify preferred RNA sequences bound by the YY1 ZFs from a randomised library over multiple rounds of selection. However, a strong motif was not consistently recovered, suggesting that the RNA sequence selectivity of these domains is modest. YY1 ZF residues involved in binding to single-stranded RNA were identified by NMR spectroscopy and found to be largely distinct from the set of residues involved in DNA binding, suggesting that interactions between YY1 and ssRNA constitute a separate mode of nucleic acid binding. Our data are consistent with recent reports that YY1 can bind to RNA in a low-specificity, yet physiologically relevant manner. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

CD, MCD and VTVH MCD Studies of Biferrous and Mixed-Valent myo-Inositol Oxygenase: Insights into Substrate Activation of O2 Reactivity

PubMed Central

Snyder, Rae Ana; Bell, Caleb B.; Diao, Yinghui; Krebs, Carsten; Bollinger, J. Martin; Solomon, Edward I.

2013-01-01

Myo-inositol oxygenase (MIOX) catalyzes the 4e− oxidation of myo-inositol (MI) to D-glucuronate using a substrate activated Fe(II)Fe(III) site. The biferrous and Fe(II)Fe(III) forms of MIOX were studied with circular dichroism (CD), magnetic circular dichroism (MCD), and variable temperature variable field (VTVH) MCD spectroscopies. The MCD spectrum of biferrous MIOX shows two ligand field (LF) transitions near 10,000 cm−1, split by ~2,000 cm−1, characteristic of 6 coordinate (6C) Fe(II) sites, indicating that the modest reactivity of the biferrous form toward O2 can be attributed to the saturated coordination of both irons. Upon oxidation to the Fe(II)Fe(III) state, MIOX shows two LF transitions in the ~10,000 cm−1 region, again implying a coordinatively saturated Fe(II) site. Upon MI binding, these split in energy to 5,200 cm−1 and 11,200 cm−1, showing that MI binding causes the Fe(II) to become coordinately unsaturated. VTVH MCD magnetization curves of unbound and MI-bound Fe(II)Fe(III) forms show that upon substrate binding, the isotherms become more nested, requiring that the exchange coupling and ferrous zero field splitting (ZFS) both decrease in magnitude. These results imply that MI binds to the ferric site, weakening the Fe(III)-μ-OH bond and strengthening the Fe(II)-μ-OH bond. This perturbation results in the release of a coordinated water from the Fe(II) that enables its O2 activation. PMID:24066857

Theoretical study of triplet state properties of free-base porphin

NASA Astrophysics Data System (ADS)

Loboda, Oleksandr; Tunell, Ingvar; Minaev, Boris; Ågren, Hans

2005-06-01

This paper presents results and analysis of various properties of the triplet state of free-base porphin (FBP) as calculated by density-functional theory. The radiative lifetime of phosphorescence lines and microwave signals in optical detection of magnetic resonance (ODMR) spectra are obtained using the B3LYP hybrid density-functional and the quadratic response method. The zero-field splitting (ZFS) in the lowest triplet state, a3 B2u, of FBP is calculated as an expectation value of spin-spin coupling operator using the self-consistent field wavefunction. The second-order contribution to ZFS from the spin-orbit coupling operator is found to be almost negligible. The interpretation of the ODMR spectrum is completed by computing the hyperfine tensors of the 14N, 13C and hydrogen atoms in the lowest triplet state. The most intense phosphorescence emission corresponds to the Tz-spin-sublevel of the a3 B2u state, where the z-axis lies in the N-H direction of the FBP molecule in a qualitative agreement with ODMR data. The results indicate that the observed decay of the lowest triplet state of FBP molecule is determined by non-radiative deactivation. The calculated radiative rate constant for the Tz-spin-sublevel kz = 2.65 × 10-3 s-1 is in agreement with the value kz ≃ 2 × 10-3 s-1, estimated by van Dorp et al. [W. van Dorp, W. Schoemaker, M. Soma, J. van der Waals, Mol. Phys. 30 (1975) 1701] from kinetic analysis of microwave-induced fluorescent signals. The correct prediction of the spin quantization axis of the most active spin sublevel and of its radiative lifetime in the lowest triplet state of the FBP molecule is taken as a proof of capability of the quadratic response time-dependent density-functional theory.

Generation of zonal flows through symmetry breaking of statistical homogeneity

NASA Astrophysics Data System (ADS)

Parker, Jeffrey B.; Krommes, John A.

2014-03-01

In geophysical and plasma contexts, zonal flows (ZFs) are well known to arise out of turbulence. We elucidate the transition from homogeneous turbulence without ZFs to inhomogeneous turbulence with steady ZFs. Starting from the equation for barotropic flow on a β plane, we employ both the quasilinear approximation and a statistical average, which retains a great deal of the qualitative behavior of the full system. Within the resulting framework known as CE2, we extend recent understanding of the symmetry-breaking zonostrophic instability and show that it is an example of a Type {{\\text{I}}_{s}} instability within the pattern formation literature. The broken symmetry is statistical homogeneity. Near the bifurcation point, the slow dynamics of CE2 are governed by a well-known amplitude equation. The important features of this amplitude equation, and therefore of the CE2 system, are multiple. First, the ZF wavelength is not unique. In an idealized, infinite system, there is a continuous band of ZF wavelengths that allow a nonlinear equilibrium. Second, of these wavelengths, only those within a smaller subband are stable. Unstable wavelengths must evolve to reach a stable wavelength; this process manifests as merging jets. These behaviors are shown numerically to hold in the CE2 system. We also conclude that the stability of the equilibria near the bifurcation point, which is governed by the Eckhaus instability, is independent of the Rayleigh-Kuo criterion.

The effect of crustal anisotropy on SKS splitting analysis—synthetic models and real-data observations

NASA Astrophysics Data System (ADS)

Latifi, Koorosh; Kaviani, Ayoub; Rümpker, Georg; Mahmoodabadi, Meysam; Ghassemi, Mohammad R.; Sadidkhouy, Ahmad

2018-05-01

The contribution of crustal anisotropy to the observation of SKS splitting parameters is often assumed to be negligible. Based on synthetic models, we show that the impact of crustal anisotropy on the SKS splitting parameters can be significant even in the case of moderate to weak anisotropy within the crust. In addition, real-data examples reveal that significant azimuthal variations in SKS splitting parameters can be caused by crustal anisotropy. Ps-splitting analysis of receiver functions (RF) can be used to infer the anisotropic parameters of the crust. These crustal splitting parameters may then be used to constrain the inversion of SKS apparent splitting parameters to infer the anisotropy of the mantle. The observation of SKS splitting for different azimuths is indispensable to verify the presence or absence of multiple layers of anisotropy beneath a seismic station. By combining SKS and RF observations in different azimuths at a station, we are able to uniquely decipher the anisotropic parameters of crust and upper mantle.

Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of NiII-LnIII-WV Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.

PubMed

Vieru, Veacheslav; Pasatoiu, Traian D; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F

2016-12-05

The polynuclear compounds containing anisotropic metal ions often exhibit efficient barriers for blocking of magnetization at fairly arbitrary geometries. However, at variance with mononuclear complexes, which usually become single-molecule magnets (SMM) under the sole requirement of a highly axial crystal field at the metal ion, the factors influencing the SMM behavior in polynuclear complexes, especially, with weakly axial magnetic ions, still remain largely unrevealed. As an attempt to clarify these conditions, we present here the synthesis, crystal structures, magnetic behavior, and ab initio calculations for a new series of Ni II -Ln III -W V trimetallics, [(CN) 7 W(CN)Ni(H 2 O)(valpn)Ln(H 2 O) 4 ]·H 2 O (Ln = Y 1, Eu 2, Gd 3, Tb 4, Dy 5, Lu 6). The surprising finding is the absence of the magnetic blockage even for compounds involving strongly anisotropic Dy III and Tb III metal ions. This is well explained by ab initio calculations showing relatively large transversal components of the g-tensor in the ground exchange Kramers doublets of 1 and 4 and large intrinsic tunneling gaps in the ground exchange doublets of 3 and 5. In order to get more insight into this behavior, another series of earlier reported compounds with the same trinuclear [W V Ni II Ln III ] core structure, [(CN) 7 W(CN)Ni(dmf)(valdmpn)Ln(dmf) 4 ]·H 2 O (Ln = Gd III 7, Tb III 8a, Dy III 9, Ho III 10), [(CN) 7 W(CN)Ni(H 2 O)(valdmpn)Tb(dmf) 2.5 (H 2 O) 1.5 ]·H 2 O·0.5dmf 8b, and [(CN) 7 W(CN)Ni(H 2 O)(valdmpn)Er(dmf) 3 (H 2 O) 1 ]·H 2 O·0.5dmf 11, has been also investigated theoretically. In this series, only 8b exhibits SMM behavior which is confirmed by the present ab initio calculations. An important feature for the entire series is the strong ferromagnetic coupling between Ni(II) and W(V), which is due to an almost perfect trigonal dodecahedron geometry of the octacyano wolframate fragment. The reason why only 8b is an SMM is explained by positive zero-field splitting on the nickel site, precluding magnetization blocking in complexes with fewer axial Ln ions. Further analysis has shown that, in the absence of ZFS on Ni ion, all compounds in the two series (except those containing Y and Gd) would be SMMs. The same situation arises for perfectly axial ZFS on Ni(II) with the main anisotropy axis parallel to the main magnetic axis of Ln(III) ions. In all other cases the ZFS on Ni(II) will worsen the SMM properties. The general conclusion is that the design of efficient SMMs on the basis of such complexes should involve isotropic or weekly anisotropic metal ions, such as Mn(II), Fe(III), etc., along with strongly axial lanthanides.

Magnetic susceptibility and ground-state zero-field splitting in high-spin mononuclear manganese(III) of inverted N-methylated porphyrin complexes: Mn(2-NCH3NCTPP)Br.

PubMed

Hung, Sheng-Wei; Yang, Fuh-An; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu

2008-08-18

The crystal structures of diamagnetic dichloro(2-aza-2-methyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N'')-tin(IV) methanol solvate [Sn(2-NCH 3NCTPP)Cl 2.2(0.2MeOH); 6.2(0.2MeOH)] and paramagnetic bromo(2-aza-2-methyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N'')-manganese(III) [Mn(2-NCH 3NCTPP)Br; 5] were determined. The coordination sphere around Sn (4+) in 6.2(0.2MeOH) is described as six-coordinate octahedron ( OC-6) in which the apical site is occupied by two transoid Cl (-) ligands, whereas for the Mn (3+) ion in 5, it is a five-coordinate square pyramid ( SPY-5) in which the unidentate Br (-) ligand occupies the axial site. The g value of 9.19 (or 10.4) measured from the parallel polarization (or perpendicular polarization) of X-band EPR spectra at 4 K is consistent with a high spin mononuclear manganese(III) ( S = 2) in 5. The magnitude of axial ( D) and rhombic ( E) zero-field splitting (ZFS) for the mononuclear Mn(III) in 5 were determined approximately as -2.4 cm (-1) and -0.0013 cm (-1), respectively, by paramagnetic susceptibility measurements and conventional EPR spectroscopy. Owing to weak C(45)-H(45A)...Br(1) hydrogen bonds, the mononuclear Mn(III) neutral molecules of 5 are arranged in a one-dimensional network. A weak Mn(III)...Mn(III) ferromagnetic interaction ( J = 0.56 cm (-1)) operates via a [Mn(1)-C(2)-C(1)-N(4)-C(45)-H(45A)...Br(1)-Mn(1)] superexchange pathway in complex 5.

HIV-1 nucleocapsid protein localizes efficiently to the nucleus and nucleolus

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

Yu, Kyung Lee; Lee, Sun Hee; Lee, Eun Soo

The HIV-1 nucleocapsid (NC) is an essential viral protein containing two highly conserved retroviral-type zinc finger (ZF) motifs, which functions in multiple stages of the HIV-1 life cycle. Although a number of functions for NC either in its mature form or as a domain of Gag have been revealed, little is known about the intracellular localization of NC and, moreover, its role in Gag protein trafficking. Here, we have investigated various forms of HIV-1 NC protein for its cellular localization and found that the NC has a strong nuclear and nucleolar localization activity. The linker region, composed of a stretchmore » of basic amino acids between the two ZF motifs, was necessary and sufficient for the activity. - Highlights: • HIV-1 NC possess a NLS and leads to nuclear and nucleolus localization. • Mutations in basic residues between two ZFs in NC decrease the nucleus localization. • ZFs of NC affect cytoplasmic organelles localization rather than nucleus localization.« less

Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes

DOE PAGES

Bucinsky, Lukas; Breza, Martin; Lee, Wei-Tsung; ...

2017-04-05

High-oxidation state metal complexes with multiply bonded ligands are of great interest for both their reactivity as well as their fundamental bonding properties. This paper reports a combined spectroscopic and theoretical investigation into the effect of the apical multiply bonded ligand on the spin state preferences of three-fold symmetric iron(IV) complexes with tris(carbene) donor ligands. Specifically, singlet (S = 0) nitrido [{PhB(Im R) 3}FeN], R = tBu (1), Mes (mesityl, 2) and the related triplet (S = 1) imido complexes, [{PhB(Im R) 3}Fe(NR')] +, R = Mes, R' = Ad (1- adamantyl, 3), tBu (4), have been investigated by electronicmore » absorption and Mössbauer effect spectroscopies. For comparison, two other Fe(IV) nitrido complexes, [(TIMEN Ar)FeN] +, (TIMEN Ar = tris[2-(3-aryl-imidazol-2-ylidene)ethyl]amine; Ar = Xyl (xylyl), Mes), have been investigated by 57Fe Mössbauer spectroscopy, including applied-field measurements. The paramagnetic imido complexes 3 and 4 were also studied by magnetic susceptibility measurements (for 3) and paramagnetic resonance spectroscopy: high-frequency and -field electron paramagnetic resonance (HFEPR) (for 3 and 4) and frequency-domain Fouriertransform (FD-FT) THz EPR (for 3), which reveal their zero-field splitting (zfs) parameters. Experimentally correlated theoretical studies comprising ligand-field theory (LFT) and quantum chemical theory (QCT), the latter including both density functional theory (DFT) and ab initio methods reveal the key role played by the Fe3 d z2 (a1) orbital in these systems: the nature of its interaction with the nitrido or imido ligand dictates the spin state preference of the complex. Lastly, the ability to tune the spin state through the energy and nature of a single orbital has general relevance to the factors controlling spin states in complexes with applicability as single molecule devices.« less

Zonal-flow dynamics from a phase-space perspective

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

Ruiz, D. E.; Parker, J. B.; Shi, E. L.

The wave kinetic equation (WKE) describing drift-wave (DW) turbulence is widely used in the studies of zonal flows (ZFs) emerging from DW turbulence. But, this formulation neglects the exchange of enstrophy between DWs and ZFs and also ignores effects beyond the geometrical-optics limit. Furthermore, we derive a modified theory that takes both of these effects into account, while still treating DW quanta (“driftons”) as particles in phase space. The drifton dynamics is described by an equation of the Wigner–Moyal type, which is commonly known in the phase-space formulation of quantum mechanics. In the geometrical-optics limit, this formulation features additional termsmore » missing in the traditional WKE that ensure exact conservation of the total enstrophy of the system, in addition to the total energy, which is the only conserved invariant in previous theories based on the WKE. We present numerical simulations to illustrate the importance of these additional terms. The proposed formulation can be considered as a phase-space representation of the second-order cumulant expansion, or CE2.« less

Zonal-flow dynamics from a phase-space perspective

DOE PAGES

Ruiz, D. E.; Parker, J. B.; Shi, E. L.; ...

2016-12-16

The wave kinetic equation (WKE) describing drift-wave (DW) turbulence is widely used in the studies of zonal flows (ZFs) emerging from DW turbulence. But, this formulation neglects the exchange of enstrophy between DWs and ZFs and also ignores effects beyond the geometrical-optics limit. Furthermore, we derive a modified theory that takes both of these effects into account, while still treating DW quanta (“driftons”) as particles in phase space. The drifton dynamics is described by an equation of the Wigner–Moyal type, which is commonly known in the phase-space formulation of quantum mechanics. In the geometrical-optics limit, this formulation features additional termsmore » missing in the traditional WKE that ensure exact conservation of the total enstrophy of the system, in addition to the total energy, which is the only conserved invariant in previous theories based on the WKE. We present numerical simulations to illustrate the importance of these additional terms. The proposed formulation can be considered as a phase-space representation of the second-order cumulant expansion, or CE2.« less

Keep your fingers off my DNA: protein-protein interactions mediated by C2H2 zinc finger domains.

PubMed

Brayer, Kathryn J; Segal, David J

2008-01-01

Cys2-His2 (C2H2) zinc finger domains (ZFs) were originally identified as DNA-binding domains, and uncharacterized domains are typically assumed to function in DNA binding. However, a growing body of evidence suggests an important and widespread role for these domains in protein binding. There are even examples of zinc fingers that support both DNA and protein interactions, which can be found in well-known DNA-binding proteins such as Sp1, Zif268, and Ying Yang 1 (YY1). C2H2 protein-protein interactions (PPIs) are proving to be more abundant than previously appreciated, more plastic than their DNA-binding counterparts, and more variable and complex in their interactions surfaces. Here we review the current knowledge of over 100 C2H2 zinc finger-mediated PPIs, focusing on what is known about the binding surface, contributions of individual fingers to the interaction, and function. An accurate understanding of zinc finger biology will likely require greater insights into the potential protein interaction capabilities of C2H2 ZFs.

Seismic anisotropy beneath the southeastern margin of the Tibetan Plateau and adjacent regions revealed by shear-wave splitting analyses

NASA Astrophysics Data System (ADS)

Gao, S. S.; Kong, F.; Wu, J.; Liu, L.; Liu, K. H.

2017-12-01

Seismic azimuthal anisotropy is measured at 83 stations situated at the southeastern margin of the Tibetan Plateau and adjacent regions based on shear-wave splitting analyses. A total of 1701 individual pairs of splitting parameters (fast polarization orientations and splitting delay times) are obtained using the PKS, SKKS, and SKS phases. The splitting parameters from 21 stations exhibit systematic back-azimuthal variations with a 90° periodicity, which is consistent with a two-layer anisotropy model. The resulting upper-layer splitting parameters computed based on a grid-search algorithm are comparable with crustal anisotropy measurements obtained independently based on the sinusoidal moveout of P-to-S conversions from the Moho. The fast orientations of the upper layer anisotropy, which is mostly parallel with major shear zones, are associated with crustal fabrics with a vertical foliation plane. The lower layer anisotropy and the station averaged splitting parameters at stations with azimuthally invariant splitting parameters can be adequately explained by the differential movement between the lithosphere and asthenosphere. The NW-SE fast orientations obtained in the northern part of the study area probably reflect the southeastward extruded mantle flow from central Tibet. In contrast, the NE-SW to E-W fast orientations observed in the southern part of the study area are most likely related to the northeastward to eastward mantle flow induced by the subduction of the Burma microplate.

Behaviour of DFT-based approaches to the spin-orbit term of zero-field splitting tensors: a case study of metallocomplexes, MIII(acac)3 (M = V, Cr, Mn, Fe and Mo).

PubMed

Sugisaki, Kenji; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji

2017-11-15

Spin-orbit contributions to the zero-field splitting (ZFS) tensor (D SO tensor) of M III (acac) 3 complexes (M = V, Cr, Mn, Fe and Mo; acac = acetylacetonate anion) are evaluated by means of ab initio (a hybrid CASSCF/MRMP2) and DFT (Pederson-Khanna (PK) and natural orbital-based Pederson-Khanna (NOB-PK)) methods, focusing on the behaviour of DFT-based approaches to the D SO tensors against the valence d-electron configurations of the transition metal ions in octahedral coordination. Both the DFT-based approaches reproduce trends in the D tensors. Significantly, the differences between the theoretical and experimental D (D = D ZZ - (D XX + D YY )/2) values are smaller in NOB-PK than in PK, emphasising the usefulness of the natural orbital-based approach to the D tensor calculations of transition metal ion complexes. In the case of d 2 and d 4 electronic configurations, the D SO (NOB-PK) values are considerably underestimated in the absolute magnitude, compared with the experimental ones. The D SO tensor analysis based on the orbital region partitioning technique (ORPT) revealed that the D SO contributions attributed to excitations from the singly occupied region (SOR) to the unoccupied region (UOR) are significantly underestimated in the DFT-based approaches to all the complexes under study. In the case of d 3 and d 5 configurations, the (SOR → UOR) excitations contribute in a nearly isotropic manner, which causes fortuitous error cancellations in the DFT-based D SO values. These results indicate that more efforts to develop DFT frameworks should be directed towards the reproduction of quantitative D SO tensors of transition metal complexes with various electronic configurations and local symmetries around metal ions.

Bunch Splitting Simulations for the JLEIC Ion Collider Ring

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

Satogata, Todd J.; Gamage, Randika

2016-05-01

We describe the bunch splitting strategies for the proposed JLEIC ion collider ring at Jefferson Lab. This complex requires an unprecedented 9:6832 bunch splitting, performed in several stages. We outline the problem and current results, optimized with ESME including general parameterization of 1:2 bunch splitting for JLEIC parameters.

Pharmaceutical counselling about different types of tablet-splitting methods based on the results of weighing tests and mechanical development of splitting devices.

PubMed

Somogyi, O; Meskó, A; Csorba, L; Szabó, P; Zelkó, R

2017-08-30

The division of tablets and adequate methods of splitting them are a complex problem in all sectors of health care. Although tablet-splitting is often required, this procedure can be difficult for patients. Four tablets were investigated with different external features (shape, score-line, film-coat and size). The influencing effect of these features and the splitting methods was investigated according to the precision and "weight loss" of splitting techniques. All four types of tablets were halved by four methods: by hand, with a kitchen knife, with an original manufactured splitting device and with a modified tablet splitter based on a self-developed mechanical model. The mechanical parameters (harness and friability) of the products were measured during the study. The "weight loss" and precision of splitting methods were determined and compared by statistical analysis. On the basis of the results, the external features (geometry), the mechanical parameters of tablets and the mechanical structure of splitting devices can influence the "weight loss" and precision of tablet-splitting. Accordingly, a new decision-making scheme was developed for the selection of splitting methods. In addition, the skills of patients and the specialties of therapy should be considered so that pharmaceutical counselling can be more effective regarding tablet-splitting. Copyright © 2017 Elsevier B.V. All rights reserved.

Finite frequency shear wave splitting tomography: a model space search approach

NASA Astrophysics Data System (ADS)

Mondal, P.; Long, M. D.

2017-12-01

Observations of seismic anisotropy provide key constraints on past and present mantle deformation. A common method for upper mantle anisotropy is to measure shear wave splitting parameters (delay time and fast direction). However, the interpretation is not straightforward, because splitting measurements represent an integration of structure along the ray path. A tomographic approach that allows for localization of anisotropy is desirable; however, tomographic inversion for anisotropic structure is a daunting task, since 21 parameters are needed to describe general anisotropy. Such a large parameter space does not allow a straightforward application of tomographic inversion. Building on previous work on finite frequency shear wave splitting tomography, this study aims to develop a framework for SKS splitting tomography with a new parameterization of anisotropy and a model space search approach. We reparameterize the full elastic tensor, reducing the number of parameters to three (a measure of strength based on symmetry considerations for olivine, plus the dip and azimuth of the fast symmetry axis). We compute Born-approximation finite frequency sensitivity kernels relating model perturbations to splitting intensity observations. The strong dependence of the sensitivity kernels on the starting anisotropic model, and thus the strong non-linearity of the inverse problem, makes a linearized inversion infeasible. Therefore, we implement a Markov Chain Monte Carlo technique in the inversion procedure. We have performed tests with synthetic data sets to evaluate computational costs and infer the resolving power of our algorithm for synthetic models with multiple anisotropic layers. Our technique can resolve anisotropic parameters on length scales of ˜50 km for realistic station and event configurations for dense broadband experiments. We are proceeding towards applications to real data sets, with an initial focus on the High Lava Plains of Oregon.

A New Method of Assessing Uncertainty of the Cross-Convolution Method of Shear Wave Splitting Measurement

NASA Astrophysics Data System (ADS)

Schutt, D.; Breidt, J.; Corbalan Castejon, A.; Witt, D. R.

2017-12-01

Shear wave splitting is a commonly used and powerful method for constraining such phenomena as lithospheric strain history or asthenospheric flow. However, a number of challenges with the statistics of shear wave splitting have been noted. This creates difficulties in assessing whether two separate measurements are statistically similar or are indicating real differences in anisotropic structure, as well as for created proper station averaged sets of parameters for more complex situations such as multiple or dipping layers of anisotropy. We present a new method for calculating the most likely splitting parameters using the Menke and Levin [2003] method of cross-convolution. The Menke and Levin method is used because it can more readily be applied to a wider range of anisotropic scenarios than the commonly used Silver and Chan [1991] technique. In our approach, we derive a formula for the spectral density of a function of the microseismic noise and the impulse response of the correct anisotropic model that holds for the true anisotropic model parameters. This is compared to the spectral density of the observed signal convolved with the impulse response for an estimated set of anisotropic parameters. The most likely parameters are found when the former and latter spectral densities are the same. By using the Whittle likelihood to compare the two spectral densities, a likelihood grid for all possible anisotropic parameter values is generated. Using bootstrapping, the uncertainty and covariance between the various anisotropic parameters can be evaluated. We will show this works with a single layer of anisotropy and a vertically incident ray, and discuss the usefulness for a more complex case. The method shows great promise for calculating multiple layer anisotropy parameters with proper assessment of uncertainty. References: Menke, W., and Levin, V. 2003. The cross-convolution method for interpreting SKS splitting observations, with application to one and two-layer anisotropic earth models. Geophysical Journal International, 154: 379-392. doi:10.1046/j.1365-246X.2003.01937.x. Silver, P.G., and Chan, W.W. 1991. Shear Wave Splitting and Sub continental Mantle Deformation. Journal of Geophysical Research, 96: 429-454. doi:10.1029/91JB00899.

Zonal-flow dynamics from a phase-space perspective

NASA Astrophysics Data System (ADS)

Ruiz, D. E.; Parker, J. B.; Shi, E. L.; Dodin, I. Y.

2017-10-01

The wave kinetic equation (WKE) describing drift-wave (DW) turbulence is widely used in the studies of zonal flows (ZFs) emerging from DW turbulence. However, this formulation neglects the exchange of enstrophy between DWs and ZFs and also ignores effects beyond the geometrical-optics (GO) limit. Here we present a new theory that captures both of these effects, while still treating DW quanta (``driftons'') as particles in phase space. In this theory, the drifton dynamics is described by an equation of the Wigner-Moyal type, which is analogous to the phase-space formulation of quantum mechanics. The ``Hamiltonian'' and the ``dissipative'' parts of the DW-ZF interactions are clearly identified. Moreover, this theory can be interpreted as a phase-space representation of the second-order cumulant expansion (CE2). In the GO limit, this formulation features additional terms missing in the traditional WKE that ensure conservation of the total enstrophy of the system, in addition to the total energy, which is the only conserved invariant in previous theories based on the traditional WKE. Numerical simulations are presented to illustrate the importance of these additional terms. Supported by the U.S. DOE through Contract Nos. DE-AC02-09CH11466 and DE-AC52-07NA27344, by the NNSA SSAA Program through DOE Research Grant No. DE-NA0002948, and by the U.S. DOD NDSEG Fellowship through Contract No. 32-CFR-168a.

M-Split: A Graphical User Interface to Analyze Multilayered Anisotropy from Shear Wave Splitting

NASA Astrophysics Data System (ADS)

Abgarmi, Bizhan; Ozacar, A. Arda

2017-04-01

Shear wave splitting analysis are commonly used to infer deep anisotropic structure. For simple cases, obtained delay times and fast-axis orientations are averaged from reliable results to define anisotropy beneath recording seismic stations. However, splitting parameters show systematic variations with back azimuth in the presence of complex anisotropy and cannot be represented by average time delay and fast axis orientation. Previous researchers had identified anisotropic complexities at different tectonic settings and applied various approaches to model them. Most commonly, such complexities are modeled by using multiple anisotropic layers with priori constraints from geologic data. In this study, a graphical user interface called M-Split is developed to easily process and model multilayered anisotropy with capabilities to properly address the inherited non-uniqueness. M-Split program runs user defined grid searches through the model parameter space for two-layer anisotropy using formulation of Silver and Savage (1994) and creates sensitivity contour plots to locate local maximas and analyze all possible models with parameter tradeoffs. In order to minimize model ambiguity and identify the robust model parameters, various misfit calculation procedures are also developed and embedded to M-Split which can be used depending on the quality of the observations and their back-azimuthal coverage. Case studies carried out to evaluate the reliability of the program using real noisy data and for this purpose stations from two different networks are utilized. First seismic network is the Kandilli Observatory and Earthquake research institute (KOERI) which includes long term running permanent stations and second network comprises seismic stations deployed temporary as part of the "Continental Dynamics-Central Anatolian Tectonics (CD-CAT)" project funded by NSF. It is also worth to note that M-Split is designed as open source program which can be modified by users for additional capabilities or for other applications.

Single crystal EPR study at 95 GHz of a large Fe based molecular nanomagnet: toward the structuring of magnetic nanoparticle properties.

PubMed

Castelli, L; Fittipaldi, M; Powell, A K; Gatteschi, D; Sorace, L

2011-08-28

A W-band single-crystal EPR study has been performed on a molecular cluster comprising 19 iron(III) ions bridged by oxo- hydroxide ions, Fe(19), in order to investigate magnetic nanosystems with a behavior in between the one of Magnetic NanoParticles (MNP) and that of Single Molecule Magnets (SMM). The Fe(19) has a disk-like shape: a planar Fe(7) core with a brucite (Mg(OH)(2)) structure enclosed in a "shell" of 12 Fe(III) ions. EPR and magnetic measurements revealed an S = 35/2 ground state with an S = 33/2 excited state lying ∼ 8 K above. The presence of other low-lying excited states was also envisaged. Rhombic Zero Field Splitting (ZFS) tensors were determined, the easy axes lying in the Fe(19) plane for both the multiplets. At particular temperatures and orientations, a partially resolved fine structure could be observed which could not be distinguished in powder spectra, due to orientation disorder. The similarities of the EPR behavior of Fe(19) and MNP, together with the accuracy of single crystal analysis, helped to shed light on spectral features observed in MNP spectra, that is a sharp line at g = 2 and a low intensity transition at g = 4. Moreover, a theoretical analysis has been used to estimate the contribution to the total magnetic anisotropy of core and surface; this latter is crucial in determining the easy axis-type anisotropy, alike that of MNP surface. This journal is © The Royal Society of Chemistry 2011

The Efficiency of Split Panel Designs in an Analysis of Variance Model

PubMed Central

Wang, Wei-Guo; Liu, Hai-Jun

2016-01-01

We consider split panel design efficiency in analysis of variance models, that is, the determination of the cross-sections series optimal proportion in all samples, to minimize parametric best linear unbiased estimators of linear combination variances. An orthogonal matrix is constructed to obtain manageable expression of variances. On this basis, we derive a theorem for analyzing split panel design efficiency irrespective of interest and budget parameters. Additionally, relative estimator efficiency based on the split panel to an estimator based on a pure panel or a pure cross-section is present. The analysis shows that the gains from split panel can be quite substantial. We further consider the efficiency of split panel design, given a budget, and transform it to a constrained nonlinear integer programming. Specifically, an efficient algorithm is designed to solve the constrained nonlinear integer programming. Moreover, we combine one at time designs and factorial designs to illustrate the algorithm’s efficiency with an empirical example concerning monthly consumer expenditure on food in 1985, in the Netherlands, and the efficient ranges of the algorithm parameters are given to ensure a good solution. PMID:27163447

Improvement of calculation method for electrical parameters of short network of ore-thermal furnaces

NASA Astrophysics Data System (ADS)

Aliferov, A. I.; Bikeev, R. A.; Goreva, L. P.

2017-10-01

The paper describes a new calculation method for active and inductive resistance of split interleaved current leads packages in ore-thermal electric furnaces. The method is developed on basis of regression analysis of dependencies of active and inductive resistances of the packages on their geometrical parameters, mutual disposition and interleaving pattern. These multi-parametric calculations have been performed with ANSYS software. The proposed method allows solving split current lead electrical parameters minimization and balancing problems for ore-thermal furnaces.

Shear Wave Splitting Underneath Northwest Canada and Eastern Alaska from Transportable Array and Mackenzie Mountains Data

NASA Astrophysics Data System (ADS)

Schutt, D.; Witt, D. R.; Aster, R. C.; Freymueller, J.; Cubley, J. F.

2017-12-01

Shear wave splitting results from the Northern Cordillera and surroundings will be presented. This complex tectonic setting contains a subduction zone responding to the Yakutat Indenter, an oceanic plateau fragment, a slab window under the Yukon Territory, and the actively uplifting Mackenzie Mountains. A particular goal of this project is to understand whether asthenospheric tractions play a significant role in Mackenzie Mountain uplift. Using a new method for calculating station-averaged splitting parameters, we have analyzed stations that span a large part of the region and therefore can see the variation in splitting parameters from the dynamic NA-PA subduction zone to the stable Slave Craton. Like other shear wave splitting studies in the Northern Cordillera, we find abrupt changes in fast axis direction along the continental margin, while the continental interior displays more coherent splitting parameters. This study is also the first to look at data from a recent deployment through center of the Mackenzie Mountains. Northeast of the Tintina Fault, we find average fast axes directions that are very close to the absolute NA plate motion but our large deviations from event to event suggest that there is some crustal anisotropy and/or dipping structure present. This observation appears to support the idea of a lower crustal décollement that has been put forth by Mazzoti and Hyndman [2002]. These results serve as a broad regional overview of mantle anisotropy and may also shed light on frozen lithospheric deformation.

Density functional calculations of the Mössbauer parameters in hexagonal ferrite SrFe12O19

NASA Astrophysics Data System (ADS)

Ikeno, Hidekazu

2018-03-01

Mössbauer parameters in a magnetoplumbite-type hexagonal ferrite, SrFe12O19, are computed using the all-electron band structure calculation based on the density functional theory. The theoretical isomer shift and quadrupole splitting are consistent with experimentally obtained values. The absolute values of hyperfine splitting parameters are found to be underestimated, but the relative scale can be reproduced. The present results validate the site-dependence of Mössbauer parameters obtained by analyzing experimental spectra of hexagonal ferrites. The results also show the usefulness of theoretical calculations for increasing the reliability of interpretation of the Mössbauer spectra.

Rhenium Complex with Noninnocent Dioxolene Ligand: Combined Experimental and ab Initio Study of [(3,5-di-tert-Bu2C6H2O2)ReCl3(OPPh3)].

PubMed

Abramov, Pavel A; Gritsan, Nina P; Suturina, Elizaveta A; Bogomyakov, Artem S; Sokolov, Maxim N

2015-07-20

Reaction of [ReOCl3(PPh3)2] with 3,5-di-tert-butyl-1,2-benzoquinone (3,5-DTBQ) in hot toluene produces a new complex [(3,5-di-tert-Bu2C6H2O2)Re(OPPh3)Cl3] (1), which was isolated and characterized by elemental analysis, IR, UV-vis spectroscopy, and cyclic voltammetry. In order to clarify the charge state of rhenium and the coordinated dioxolene ligand, X-ray experiments at 150 and 290 K were carried out. The C-O, C-C, and Re-O bond distances at both 150 and 290 K fall between those for semiquinolate (3,5-DTBSQ) and catecholate (3,5-DTBCat) forms; an empirical "metrical oxidation state" of the dioxolene ligand was estimated to be -1.5. High-level ab initio calculations (SOC-CASSCF/NEVPT2) revealed a mixed valence nature of the triplet ground state of complex 1 corresponding to a superposition of the Re(IV)-SQ and Re(V)-cat forms. In agreement with the high-level ab initio and DFT calculations, the temperature dependence of the magnetic susceptibility (5-300 K) is well described in the assumption of the triplet ground state, with the anomalously large zero-field splitting (ZFS) arising from the spin-orbit coupling. According to the ab initio calculations, all absorption bands in the visible region of the electronic absorptions spectrum are assigned to the LMCT bands, with significant contribution of the intraligand transition in the most intense band at 555 nm.

WWSSF - a worldwide study on radioisotopic renal split function: reproducibility of renal split function assessment in children.

PubMed

Geist, Barbara Katharina; Dobrozemsky, Georg; Samal, Martin; Schaffarich, Michael P; Sinzinger, Helmut; Staudenherz, Anton

2015-12-01

The split or differential renal function is the most widely accepted quantitative parameter derived from radionuclide renography. To examine the intercenter variance of this parameter, we designed a worldwide round robin test. Five selected dynamic renal studies have been distributed all over the world by e-mail. Three of these studies are anonymized patient data acquired using the EANM standardized protocol and two studies are phantom studies. In a simple form, individual participants were asked to measure renal split function as well as to provide additional information such as data analysis software, positioning of background region of interest, or the method of calculation. We received the evaluation forms from 34 centers located in 21 countries. The analysis of the round robin test yielded an overall z-score of 0.3 (a z-score below 1 reflecting a good result). However, the z-scores from several centers were unacceptably high, with values greater than 3. In particular, the studies with impaired renal function showed a wide variance. A wide variance in the split renal function was found in patients with impaired kidney function. This study indicates the ultimate importance of quality control and standardization of the measurement of the split renal function. It is especially important with respect to the commonly accepted threshold for significant change in split renal function by 10%.

Method for controlling start-up and steady state performance of a closed split flow recompression brayton cycle

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

Pasch, James Jay

A method of resolving a balanced condition that generates control parameters for start-up and steady state operating points and various component and cycle performances for a closed split flow recompression cycle system. The method provides for improved control of a Brayton cycle thermal to electrical power conversion system. The method may also be used for system design, operational simulation and/or parameter prediction.

Characteristics of the gait adaptation process due to split-belt treadmill walking under a wide range of right-left speed ratios in humans.

PubMed

Yokoyama, Hikaru; Sato, Koji; Ogawa, Tetsuya; Yamamoto, Shin-Ichiro; Nakazawa, Kimitaka; Kawashima, Noritaka

2018-01-01

The adaptability of human bipedal locomotion has been studied using split-belt treadmill walking. Most of previous studies utilized experimental protocol under remarkably different split ratios (e.g. 1:2, 1:3, or 1:4). While, there is limited research with regard to adaptive process under the small speed ratios. It is important to know the nature of adaptive process under ratio smaller than 1:2, because systematic evaluation of the gait adaptation under small to moderate split ratios would enable us to examine relative contribution of two forms of adaptation (reactive feedback and predictive feedforward control) on gait adaptation. We therefore examined a gait behavior due to on split-belt treadmill adaptation under five belt speed difference conditions (from 1:1.2 to 1:2). Gait parameters related to reactive control (stance time) showed quick adjustments immediately after imposing the split-belt walking in all five speed ratios. Meanwhile, parameters related to predictive control (step length and anterior force) showed a clear pattern of adaptation and subsequent aftereffects except for the 1:1.2 adaptation. Additionally, the 1:1.2 ratio was distinguished from other ratios by cluster analysis based on the relationship between the size of adaptation and the aftereffect. Our findings indicate that the reactive feedback control was involved in all the speed ratios tested and that the extent of reaction was proportionally dependent on the speed ratio of the split-belt. On the contrary, predictive feedforward control was necessary when the ratio of the split-belt was greater. These results enable us to consider how a given split-belt training condition would affect the relative contribution of the two strategies on gait adaptation, which must be considered when developing rehabilitation interventions for stroke patients.

Development of an optical Zn 2+ probe based on a single fluorescent protein

DOE PAGES

Qin, Yan; Sammond, Deanne W.; Braselmann, Esther; ...

2016-07-28

Various fluorescent probes have been developed to reveal the biological functions of intracellular labile Zn 2+. Here we present Green Zinc Probe (GZnP), a novel genetically encoded Zn 2+ sensor design based on a single fluorescent protein (single-FP). The GZnP sensor is generated by attaching two zinc fingers (ZF) of the transcription factor Zap1 (ZF1 and ZF2) to the two ends of a circularly permuted green fluorescent protein (cpGFP). Formation of ZF folds induces interaction between the two ZFs, which induces a change in the cpGFP conformation, leading to an increase in fluorescence. A small sensor library is created tomore » include mutations in the ZFs, cpGFP and linkers between ZF and cpGFP to improve signal stability, sensor brightness and dynamic range based on rational protein engineering and computational design by Rosetta. Using a cell-based library screen, we identify sensor GZnP1 which demonstrates a stable maximum signal, decent brightness (QY = 0.42 at apo state), as well as specific and sensitive response to Zn 2+ in HeLa cells (F max/F min = 2.6, K d = 58 pM, pH 7.4). The subcellular localizing sensors mito-GZnP1 (in mitochondria matrix) and Lck-GZnP1 (on plasma membrane) display sensitivity to Zn 2+ (F max/F min = 2.2). In conclusion, this sensor design provides freedom to be used in combination with other optical indicators and optogenetic tools for simultaneous imaging and advancing our understanding of cellular Zn 2+ function.« less

The role of zonal flows and predator–prey oscillations in triggering the formation of edge and core transport barriers

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

Schmitz, Lothar; Zeng, Lei; Rhodes, Terry L.

2014-04-24

Here, we present direct evidence of low frequency, radially sheared, turbulence-driven flows (zonal flows (ZFs)) triggering edge transport barrier formation preceding the L- to H-mode transition via periodic turbulence suppression in limit-cycle oscillations (LCOs), consistent with predator–prey dynamics. The final transition to edge-localized mode-free H-mode occurs after the equilibrium E × B flow shear increases due to ion pressure profile evolution. ZFs are also observed to initiate formation of an electron internal transport barrier (ITB) at the q = 2 rational surface via local suppression of electron-scale turbulence. Multi-channel Doppler backscattering (DBS) has revealed the radial structure of the ZF-induced shear layer and the E × B shearing rate, ω E×B, in both barrier types. During edge barrier formation, the shearing rate lags the turbulence envelope during the LCO by 90°, transitioning to anti-correlation (180°) when the equilibrium shear dominates the turbulence-driven flow shear due to the increasing edge pressure gradient. The time-dependent flow shear and the turbulence envelope are anti-correlated (180° out of phase) in the electron ITB. LCOs with time-reversed evolution dynamics (transitioning from an equilibrium-flow dominated to a ZF-dominated state) have also been observed during the H–L back-transition and are potentially of interest for controlled ramp-down of the plasma stored energy and pressure (normalized to the poloidal magnetic field)more » $$\\beta_{\\theta} =2\\mu_{0} n{( {T_{{\\rm e}} +T_{{\\rm i}}})}/{B_{\\theta}^{2}}$$ in ITER.« less

The role of zonal flows and predator-prey oscillations in triggering the formation of edge and core transport barriers

NASA Astrophysics Data System (ADS)

Schmitz, L.; Zeng, L.; Rhodes, T. L.; Hillesheim, J. C.; Peebles, W. A.; Groebner, R. J.; Burrell, K. H.; McKee, G. R.; Yan, Z.; Tynan, G. R.; Diamond, P. H.; Boedo, J. A.; Doyle, E. J.; Grierson, B. A.; Chrystal, C.; Austin, M. E.; Solomon, W. M.; Wang, G.

2014-07-01

We present direct evidence of low frequency, radially sheared, turbulence-driven flows (zonal flows (ZFs)) triggering edge transport barrier formation preceding the L- to H-mode transition via periodic turbulence suppression in limit-cycle oscillations (LCOs), consistent with predator-prey dynamics. The final transition to edge-localized mode-free H-mode occurs after the equilibrium E × B flow shear increases due to ion pressure profile evolution. ZFs are also observed to initiate formation of an electron internal transport barrier (ITB) at the q = 2 rational surface via local suppression of electron-scale turbulence. Multi-channel Doppler backscattering (DBS) has revealed the radial structure of the ZF-induced shear layer and the E × B shearing rate, ωE×B, in both barrier types. During edge barrier formation, the shearing rate lags the turbulence envelope during the LCO by 90°, transitioning to anti-correlation (180°) when the equilibrium shear dominates the turbulence-driven flow shear due to the increasing edge pressure gradient. The time-dependent flow shear and the turbulence envelope are anti-correlated (180° out of phase) in the electron ITB. LCOs with time-reversed evolution dynamics (transitioning from an equilibrium-flow dominated to a ZF-dominated state) have also been observed during the H-L back-transition and are potentially of interest for controlled ramp-down of the plasma stored energy and pressure (normalized to the poloidal magnetic field) \\beta_{\\theta} =2\\mu_{0} n{( {T_{e} +T_{i}})}/{B_{\\theta}^{2}} in ITER.

Structural analysis of the recognition of the negative regulator NmrA and DNA by the zinc finger from the GATA-type transcription factor AreA.

PubMed

Kotaka, Masayo; Johnson, Christopher; Lamb, Heather K; Hawkins, Alastair R; Ren, Jingshan; Stammers, David K

2008-08-29

Amongst the most common protein motifs in eukaryotes are zinc fingers (ZFs), which, although largely known as DNA binding modules, also can have additional important regulatory roles in forming protein:protein interactions. AreA is a transcriptional activator central to nitrogen metabolism in Aspergillus nidulans. AreA contains a GATA-type ZF that has a competing dual recognition function, binding either DNA or the negative regulator NmrA. We report the crystal structures of three AreA ZF-NmrA complexes including two with bound NAD(+) or NADP(+). The molecular recognition of AreA ZF-NmrA involves binding of the ZF to NmrA via hydrophobic and hydrogen bonding interactions through helices alpha1, alpha6 and alpha11. Comparison with an earlier NMR solution structure of AreA ZF-DNA complex by overlap of the AreA ZFs shows that parts of helices alpha6 and alpha11 of NmrA are positioned close to the GATA motif of the DNA, mimicking the major groove of DNA. The extensive overlap of DNA with NmrA explains their mutually exclusive binding to the AreA ZF. The presence of bound NAD(+)/NADP(+) in the NmrA-AreaA ZF complex, however, causes minimal structural changes. Thus, any regulatory effects on AreA function mediated by the binding of oxidised nicotinamide dinucleotides to NmrA in the NmrA-AreA ZF complex appear not to be modulated via protein conformational rearrangements.

FOCUS SPLITTING ASSOCIATED WITH PROPAGATION OF FOCUSED ULTRASOUND THROUGH THE RIB CAGE

PubMed Central

Khokhlova, V. A.; Bobkova, S. M.; Gavrilov, L. R.

2011-01-01

The effect of focus splitting after propagation of focused ultrasound through a rib cage is investigated theoretically. It is shown that the mechanism of this effect is caused by the interference of waves from two or more spatially separated sources, such as intercostal spaces. Analytical estimates of the parameters of splitting are obtained, i.e., the number of foci, their amplitudes, diameter, and the distance between them, depending on the transducer parameters, as well as the dimensions of the rib cage and position of ribs relative to the radiator. Various configurations of the relative positioning of ribs and radiator are considered; it is shown which of them are the most effective for real surgical operations. PMID:21607120

Gravitational waves from phase transition in split NMSSM

NASA Astrophysics Data System (ADS)

Demidov, S. V.; Gorbunov, D. S.; Kirpichnikov, D. V.

2018-04-01

We discuss gravitational wave signal from the strongly first order electroweak phase transition in the split NMSSM. We find that for sets of parameters predicting successful electroweak baryogenesis the gravitational wave signal can be within the reach of future experiments LISA, BBO and Ultimate DECIGO.

On kinetic modelling for solar redox thermochemical H2O and CO2 splitting over NiFe2O4 for H2, CO and syngas production.

PubMed

Dimitrakis, Dimitrios A; Syrigou, Maria; Lorentzou, Souzana; Kostoglou, Margaritis; Konstandopoulos, Athanasios G

2017-10-11

This study aims at developing a kinetic model that can adequately describe solar thermochemical water and carbon dioxide splitting with nickel ferrite powder as the active redox material. The kinetic parameters of water splitting of a previous study are revised to include transition times and new kinetic parameters for carbon dioxide splitting are developed. The computational results show a satisfactory agreement with experimental data and continuous multicycle operation under varying operating conditions is simulated. Different test cases are explored in order to improve the product yield. At first a parametric analysis is conducted, investigating the appropriate duration of the oxidation and the thermal reduction step that maximizes the hydrogen yield. Subsequently, a non-isothermal oxidation step is simulated and proven as an interesting option for increasing the hydrogen production. The kinetic model is adapted to simulate the production yields in structured solar reactor components, i.e. extruded monolithic structures, as well.

Upper-mantle deformation beneath the Pyrenean domain inferred from SKS splitting in northern Spain and southern France

NASA Astrophysics Data System (ADS)

Bonnin, Mickaël; Chevrot, Sébastien; Gaudot, Ianis; Haugmard, Méric

2017-08-01

We performed shear wave splitting analysis on 203 permanent (French RLPB, CEA and Catalonian networks) and temporary (PyrOPE and IberArray experiments) broad-band stations around the Pyrenees. These measurements considerably enhance the spatial resolution and coverage of seismic anisotropy in that region. In particular, we characterize with different shear wave splitting analysis methods the small-scale variations of splitting parameters ϕ and δt along three dense transects crossing the western and central Pyrenees with an interstation spacing of about 7 km. While we find a relatively coherent seismic anisotropy pattern in the Pyrenean domain, we observe abrupt changes of splitting parameters in the Aquitaine Basin and delay times along the Pyrenees. We moreover observe coherent fast directions despite complex lithospheric structures in Iberia and the Massif Central. This suggests that two main sources of anisotropy are required to interpret seismic anisotropy in this region: (i) lithospheric fabrics in the Aquitaine Basin (probably frozen-in Hercynian anisotropy) and in the Pyrenees (early and late Pyrenean dynamics); (ii) asthenospheric mantle flow beneath the entire region (imprint of the western Mediterranean dynamics since the Oligocene).

Upper-Mantle Deformation Beneath the Pyrenean Domain Inferred from SKS Splitting in Northern Spain and Southern France

NASA Astrophysics Data System (ADS)

Bonnin, M. J. A.; Chevrot, S.; Gaudot, I.; Haugmard, M.

2017-12-01

We performed shear wave splitting analysis on 203 permanent (French RLPB, CEA and Catalonian networks) and temporary (PYROPE and IberArray experiments) broad-band stations around the Pyrenees. These measurements considerably enhance the spatial resolution and coverage of seismic anisotropy in that region. In particular, we characterize with different shear wave splitting analysis methods the small-scale variations of splitting parameters φ and δt along three dense transects crossing the western and central Pyrenees with an interstation spacing of about 7 km. While we find a relatively coherent seismic anisotropy pattern in the Pyrenean domain, we observe abrupt changes of splitting parameters in the Aquitaine Basin and delay times along the Pyrenees. We moreover observe coherent fast directions despite complex lithospheric structures in Iberia and the Massif Central. This suggests that two main sources of anisotropy are required to interpret seismic anisotropy in this region: (i) lithospheric fabrics in the Aquitaine Basin (probably frozen-in Hercynian anisotropy) and in the Pyrenees (early and late Pyrenean dynamics); (ii) asthenospheric mantle flow beneath the entire region (imprint of the western Mediterranean dynamics since the Oligocene).

Giant Rashba splitting in 2D organic-inorganic halide perovskites measured by transient spectroscopies

DOE PAGES

Zhai, Yaxin; Baniya, Sangita; Zhang, Chuang; ...

2017-07-28

Two-dimensional (2D) layered hybrid organic-inorganic halide perovskite semiconductors form natural “multiple quantum wells” that have strong spin-orbit coupling due to the heavy elements in their building blocks. This may lead to “Rashba splitting” close to the extrema in the electron bands. We have used a plethora of ultrafast transient, nonlinear optical spectroscopies and theoretical calculations to study the primary (excitons) and long-lived (free carriers) photoexcitations in thin films of 2D perovskite, namely, (C 6H 5C 2H 4NH 3) 2PbI 4. The density functional theory calculation shows the occurrence of Rashba splitting in the plane perpendicular to the 2D barrier. Frommore » the electroabsorption spectrum and photoinduced absorption spectra from excitons and free carriers, we obtain a giant Rashba splitting in this compound, with energy splitting of (40 ± 5) meV and Rashba parameter of (1.6 ± 0.1) eV·Å, which are among the highest Rashba splitting size parameters reported so far. In conclusion, this finding shows that 2D hybrid perovskites have great promise for potential applications in spintronics.« less

Constraints on the Dip of the Anisotropic Symmetry Axis Beneath Japan From Shear Wave Splitting

NASA Astrophysics Data System (ADS)

Long, M. D.; Chevrot, S.; van der Hilst, R.

2001-12-01

Shear wave splitting is widely used as a tool to characterize deformational signatures in the upper mantle. However, we nearly always make the simplifying assumption that the axis of symmetry of the anisotropy is horizontal, which may not always be correct. Due to the nearly vertical incidence angles of the SKS phases typically used in splitting studies, the dip of the symmetry axis is difficult to characterize. However, if phases with varying angles of incidence are used, constraints may be placed on the dip of the symmetry axis. Splitting measurements made on upgoing shear waves with different incidence angles should exhibit discrepancies if the axis of symmetry is not horizontal. Therefore, recordings of SKKS, S, and ScS phases in addition to SKS may be used to constrain the dip of the axis of anisotropic symmetry. Japan is an excellent candidate region to potentially exhibit such discrepancies; deformation associated with the subduction beneath Japan could reasonably be expected to produce a dipping axis of symmetry. In addition, Japan is favorably located with respect to suitable source regions and data from several dense broadband seismic networks are available. We examine data from several high-quality, low-noise stations from the FREESIA network, a network of 62 broadband stations in Japan. We search for good recordings of events in the 0o-60o distance range for ScS, from 40o-80o for S, from 90o-130ofor SKS, and beyond 105o for SKKS. Only deep (>200km) events are used for S and ScS to eliminate contamination from source-side anisotropy. The multichannel method of Chevrot (JGR 2000) is used to determine splitting parameters (φ , δ t) at each station for each phase. Splitting parameters are determined from the azimuthal dependence of the splitting intensity; the method is therefore limited by the azimuthal coverage. Japan has relatively poor azimuthal coverage for SKS and SKKS, and this limits the usefulness of the multichannel method for this dataset. Splitting parameters for SKS and SKKS phases may also be determined using the method of Silver & Chan (JGR 1991). Azimuthal coverage for deep events in the distance ranges associated with S and ScS, however, is quite good and this favorable coverage makes Japan a good place to carry out such a study. We investigate the discrepancies between measured splitting parameters for S, ScS, SKS, and SKKS. We will present preliminary results of the modeling of such discrepancies in terms of a dipping axis and discuss to what extent this can be explained by the presence of a dipping slab.

Split and sealing of dislocated pipes at the front of a growing crystal

NASA Astrophysics Data System (ADS)

Gutkin, M. Yu.; Sheinerman, A. G.

2004-07-01

A model is suggested for the split of dislocated pipes at the front a growing crystal. Within the model, the pipe split occurs through the generation of a dislocation semi-loop at the pipe and crystal surfaces and its subsequent expansion into the crystal interior. The strain energy of such a dislocation semi-loop as well as the stress field of a dislocated pipe perpendicular to a flat crystal surface are calculated. The parameter regions are determined at which the expansion of the dislocation semi-loop is energetically favorable and, thus, the pipe split becomes irreversible. A mechanism is proposed for the formation of a stable semi-loop resulting in the split and possible subsequent overgrowth of the dislocated pipe.

Split and Splice Approach for Highly Selective Targeting of Human NSCLC Tumors

DTIC Science & Technology

2014-10-01

development and implementation of the “split-and- spice ” approach required optimization of many independent parameters, which were addressed in parallel...verify the feasibility of the “split and splice” approach for targeting human NSCLC tumor cell lines in culture and prepare the optimized toxins for...for cultured cells (months 2- 8). 2B. To test the efficiency of cell targeting by the toxin variants reconstituted in vitro (months 3-6). 2C. To

Node-Splitting Generalized Linear Mixed Models for Evaluation of Inconsistency in Network Meta-Analysis.

PubMed

Yu-Kang, Tu

2016-12-01

Network meta-analysis for multiple treatment comparisons has been a major development in evidence synthesis methodology. The validity of a network meta-analysis, however, can be threatened by inconsistency in evidence within the network. One particular issue of inconsistency is how to directly evaluate the inconsistency between direct and indirect evidence with regard to the effects difference between two treatments. A Bayesian node-splitting model was first proposed and a similar frequentist side-splitting model has been put forward recently. Yet, assigning the inconsistency parameter to one or the other of the two treatments or splitting the parameter symmetrically between the two treatments can yield different results when multi-arm trials are involved in the evaluation. We aimed to show that a side-splitting model can be viewed as a special case of design-by-treatment interaction model, and different parameterizations correspond to different design-by-treatment interactions. We demonstrated how to evaluate the side-splitting model using the arm-based generalized linear mixed model, and an example data set was used to compare results from the arm-based models with those from the contrast-based models. The three parameterizations of side-splitting make slightly different assumptions: the symmetrical method assumes that both treatments in a treatment contrast contribute to inconsistency between direct and indirect evidence, whereas the other two parameterizations assume that only one of the two treatments contributes to this inconsistency. With this understanding in mind, meta-analysts can then make a choice about how to implement the side-splitting method for their analysis. Copyright © 2016 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

EPR and magnetization studies on single crystals of a heterometallic (Cu II and Cr III) complex: Zero-field splitting determination

NASA Astrophysics Data System (ADS)

Novosel, Nikolina; Žilić, Dijana; Pajić, Damir; Jurić, Marijana; Perić, Berislav; Zadro, Krešo; Rakvin, Boris; Planinić, Pavica

2008-10-01

Magnetic properties of single crystals of the heterometallic complex [Cu(bpy) 3] 2[Cr(C 2O 4) 3]NO 3·9H 2O (bpy = 2,2'-bipyridine) have been investigated. From the recorded EPR spectra, the spin-Hamiltonian parameters have been determined. The magnetization measurements have shown magnetic anisotropy at low temperatures, which has been analysed as a result of the zero-field splitting of the Cr III ion. By fitting the exactly derived magnetization expression to the measured magnetization data, the axial zero-field splitting parameter, D, has been calculated. Comparing to the EPR measurements, it has been confirmed that D can be determined from the measurements of the macroscopic magnetization on the single crystals.

Determination of the spin orbit coupling and crystal field splitting in wurtzite InP by polarization resolved photoluminescence

NASA Astrophysics Data System (ADS)

Chauvin, Nicolas; Mavel, Amaury; Jaffal, Ali; Patriarche, Gilles; Gendry, Michel

2018-02-01

Excitation photoluminescence spectroscopy is usually used to extract the crystal field splitting (ΔCR) and spin orbit coupling (ΔSO) parameters of wurtzite (Wz) InP nanowires (NWs). However, the equations expressing the valence band splitting are symmetric with respect to these two parameters, and a choice ΔCR > ΔSO or ΔCR < ΔSO has to be taken into account in order to assign the numerical values. To solve this issue, polarization resolved micro-photoluminescence was performed on vertically aligned and untapered Wz InP NWs grown on silicon. The experimental results combined with a theoretical model and finite difference time domain calculations allow us to conclude that ΔCR > ΔSO in Wz InP.

Split-remerge method for eliminating processing window artifacts in recursive hierarchical segmentation

NASA Technical Reports Server (NTRS)

Tilton, James C. (Inventor)

2010-01-01

A method, computer readable storage, and apparatus for implementing recursive segmentation of data with spatial characteristics into regions including splitting-remerging of pixels with contagious region designations and a user controlled parameter for providing a preference for merging adjacent regions to eliminate window artifacts.

Research on the optical and EPR spectral data and the local structure for the trigonal Mn4+ centers in MgTiO3 crystal

NASA Astrophysics Data System (ADS)

Liao, Bi-Tao; Mei, Yang; Chen, Bo-Wei; Zheng, Wen-Chen

2017-07-01

The optical bands and EPR (or spin-Hamiltonian) parameters (g factors g//, g⊥ and zero-field splitting D) for Mn4+ ions at the trigonal octahedral Ti4+ site of MgTiO3 crystal are uniformly computed by virtue of the complete diagonalization (of energy matrix) method based on the two-spin-orbit-parameter model, where besides the effects of spin-orbit parameter of central dn ion on the spectral data (in the classical crystal field theory), those of ligands are also contained. The computed eight optical and EPR spectral data with four suitable adjustable parameters (note: differing from those in the previous work within cubic symmetry approximation where the used Racah parameters violate the nephelauxetic effect, the present Racah parameters obey the effect and hence are suitable) are rationally coincident with the experimental values. In particular, the calculated ground state splitting 2D, the first excited splitting ΔE(2E) and g-anisotropy Δg (=g//-g⊥) (they depend strongly on the angular distortion of d3 centers) are in excellent agreement with the observed values, suggesting that the angular distortions caused by the impurity-induced local lattice relaxation obtained from the above calculation for the trigonal Mn4+ impurity center in MgTiO3: Mn4+ crystal seem to be acceptable.

Full-wave effects on shear wave splitting

NASA Astrophysics Data System (ADS)

Lin, Yu-Pin; Zhao, Li; Hung, Shu-Huei

2014-02-01

Seismic anisotropy in the mantle plays an important role in our understanding of the Earth's internal dynamics, and shear wave splitting has always been a key observable in the investigation of seismic anisotropy. To date the interpretation of shear wave splitting in terms of anisotropy has been largely based on ray-theoretical modeling of a single vertically incident plane SKS or SKKS wave. In this study, we use sensitivity kernels of shear wave splitting to anisotropic parameters calculated by the normal-mode theory to demonstrate that the interference of SKS with other phases of similar arrival times, near-field effect, and multiple reflections in the crust lead to significant variations of SKS splitting with epicentral distance. The full-wave kernels not only widen the possibilities in the source-receiver geometry in making shear wave splitting measurements but also provide the capability for tomographic inversion to resolve vertical and lateral variations in the anisotropic structures.

Characteristics of the gait adaptation process due to split-belt treadmill walking under a wide range of right-left speed ratios in humans

PubMed Central

Ogawa, Tetsuya; Yamamoto, Shin-Ichiro; Nakazawa, Kimitaka

2018-01-01

The adaptability of human bipedal locomotion has been studied using split-belt treadmill walking. Most of previous studies utilized experimental protocol under remarkably different split ratios (e.g. 1:2, 1:3, or 1:4). While, there is limited research with regard to adaptive process under the small speed ratios. It is important to know the nature of adaptive process under ratio smaller than 1:2, because systematic evaluation of the gait adaptation under small to moderate split ratios would enable us to examine relative contribution of two forms of adaptation (reactive feedback and predictive feedforward control) on gait adaptation. We therefore examined a gait behavior due to on split-belt treadmill adaptation under five belt speed difference conditions (from 1:1.2 to 1:2). Gait parameters related to reactive control (stance time) showed quick adjustments immediately after imposing the split-belt walking in all five speed ratios. Meanwhile, parameters related to predictive control (step length and anterior force) showed a clear pattern of adaptation and subsequent aftereffects except for the 1:1.2 adaptation. Additionally, the 1:1.2 ratio was distinguished from other ratios by cluster analysis based on the relationship between the size of adaptation and the aftereffect. Our findings indicate that the reactive feedback control was involved in all the speed ratios tested and that the extent of reaction was proportionally dependent on the speed ratio of the split-belt. On the contrary, predictive feedforward control was necessary when the ratio of the split-belt was greater. These results enable us to consider how a given split-belt training condition would affect the relative contribution of the two strategies on gait adaptation, which must be considered when developing rehabilitation interventions for stroke patients. PMID:29694404

He hears, she hears: are there sex differences in auditory processing?

PubMed

Yoder, Kathleen M; Phan, Mimi L; Lu, Kai; Vicario, David S

2015-03-01

Songbirds learn individually unique songs through vocal imitation and use them in courtship and territorial displays. Previous work has identified a forebrain auditory area, the caudomedial nidopallium (NCM), that appears specialized for discriminating and remembering conspecific vocalizations. In zebra finches (ZFs), only males produce learned vocalizations, but both sexes process these and other signals. This study assessed sex differences in auditory processing by recording extracellular multiunit activity at multiple sites within NCM. Juvenile female ZFs (n = 46) were reared in individual isolation and artificially tutored with song. In adulthood, songs were played back to assess auditory responses, stimulus-specific adaptation, neural bias for conspecific song, and memory for the tutor's song, as well as recently heard songs. In a subset of females (n = 36), estradiol (E2) levels were manipulated to test the contribution of E2, known to be synthesized in the brain, to auditory responses. Untreated females (n = 10) showed significant differences in response magnitude and stimulus-specific adaptation compared to males reared in the same paradigm (n = 9). In hormone-manipulated females, E2 augmentation facilitated the memory for recently heard songs in adulthood, but neither E2 augmentation (n = 15) nor E2 synthesis blockade (n = 9) affected tutor song memory or the neural bias for conspecific song. The results demonstrate subtle sex differences in processing communication signals, and show that E2 levels in female songbirds can affect the memory for songs of potential suitors, thus contributing to the process of mate selection. The results also have potential relevance to clinical interventions that manipulate E2 in human patients. © 2014 Wiley Periodicals, Inc.

An Investigation of Sample Size Splitting on ATFIND and DIMTEST

ERIC Educational Resources Information Center

Socha, Alan; DeMars, Christine E.

2013-01-01

Modeling multidimensional test data with a unidimensional model can result in serious statistical errors, such as bias in item parameter estimates. Many methods exist for assessing the dimensionality of a test. The current study focused on DIMTEST. Using simulated data, the effects of sample size splitting for use with the ATFIND procedure for…

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

Zhai, Yaxin; Baniya, Sangita; Zhang, Chuang

Two-dimensional (2D) layered hybrid organic-inorganic halide perovskite semiconductors form natural “multiple quantum wells” that have strong spin-orbit coupling due to the heavy elements in their building blocks. This may lead to “Rashba splitting” close to the extrema in the electron bands. We have used a plethora of ultrafast transient, nonlinear optical spectroscopies and theoretical calculations to study the primary (excitons) and long-lived (free carriers) photoexcitations in thin films of 2D perovskite, namely, (C 6H 5C 2H 4NH 3) 2PbI 4. The density functional theory calculation shows the occurrence of Rashba splitting in the plane perpendicular to the 2D barrier. Frommore » the electroabsorption spectrum and photoinduced absorption spectra from excitons and free carriers, we obtain a giant Rashba splitting in this compound, with energy splitting of (40 ± 5) meV and Rashba parameter of (1.6 ± 0.1) eV·Å, which are among the highest Rashba splitting size parameters reported so far. In conclusion, this finding shows that 2D hybrid perovskites have great promise for potential applications in spintronics.« less

Quantum Chemical Calculations of Torsionally Mediated Hyperfine Splittings in States of E Symmetry of Acetaldehyde (CH_{3}CHO)

NASA Astrophysics Data System (ADS)

Xu, Li-Hong; Reid, Elias M.; Guislain, Bradley; Hougen, Jon T.; Alekseev, E. A.; Krapivin, Igor

2017-06-01

Hyperfine splittings in methanol have been revisited in three recent publications. (i) Coudert et al. [JCP 143 (2015) 044304] published an analysis of splittings observed in the low-J range. They calculated 32 spin-rotation, 32 spin-spin, and 16 spin-torsion hyperfine constants using the ACES2 package. Three of these constants were adjusted to fit hyperfine patterns for 12 transitions. (ii) Three present authors and collaborators [JCP 145 (2016) 024307] analyzed medium to high-J experimental Lamb-dip measurements in methanol and presented a theoretical spin-rotation explanation that was based on torsionally mediated spin-rotation hyperfine operators. These contain, in addition to the usual nuclear spin and overall rotational operators, factors in the torsional angle α of the form {e^{plusmn;{inα}}}. Such operators have non-zero matrix elements between the two components of a torsion-rotation ^{tr}E state, but have zero matrix elements within a ^{tr}A state. More than 55 hyperfine splittings were successfully fitted using three parameters and the fitted values agree well with ab initio values obtained in (i). (iii) Lankhaar et al. [JCP 145 (2016) 244301] published a reanalysis of the data set from (i), using CFOUR recalculated hyperfine constants based on their rederivation of the relevant expressions. They explain why their choice of fixed and floated parameters leads to numerical values for all parameters that seem to be more physical than those in (i). The results in (ii) raise the question of whether large torsionally-mediated spin-rotation splittings will occur in other methyl-rotor-containing molecules. This abstract presents ab initio calculations of torsionally mediated hyperfine splittings in the E states of acetaldehyde using the same three operators as in (ii) and spin-rotation constants computed by Gaussian09. We explored the first 13 K states for J from 10 to 40 and ν_{t} = 0, 1, and 2. Our calculations indicate that hyperfine splittings in CH_{3}CHO are just below current measurement capability. This conclusion is confirmed by available experimental measurements.

Estimating sleep parameters using nasal pressure signals applicable to continuous positive airway pressure devices.

PubMed

Park, Jong-Uk; Erdenebayar, Urtnasan; Joo, Eun-Yeon; Lee, Kyoung-Joung

2017-06-27

This paper proposes a method for classifying sleep-wakefulness and estimating sleep parameters using nasal pressure signals applicable to a continuous positive airway pressure (CPAP) device. In order to classify the sleep-wakefulness states of patients with sleep-disordered breathing (SDB), apnea-hypopnea and snoring events are first detected. Epochs detected as SDB are classified as sleep, and time-domain- and frequency-domain-based features are extracted from the epochs that are detected as normal breathing. Subsequently, sleep-wakefulness is classified using a support vector machine (SVM) classifier in the normal breathing epoch. Finally, four sleep parameters-sleep onset, wake after sleep onset, total sleep time and sleep efficiency-are estimated based on the classified sleep-wakefulness. In order to develop and test the algorithm, 110 patients diagnosed with SDB participated in this study. Ninety of the subjects underwent full-night polysomnography (PSG) and twenty underwent split-night PSG. The subjects were divided into 50 patients of a training set (full/split: 42/8), 30 of a validation set (full/split: 24/6) and 30 of a test set (full/split: 24/6). In the experiments conducted, sleep-wakefulness classification accuracy was found to be 83.2% in the test set, compared with the PSG scoring results of clinical experts. Furthermore, all four sleep parameters showed higher correlations than the results obtained via PSG (r  ⩾  0.84, p  <  0.05). In order to determine whether the proposed method is applicable to CPAP, sleep-wakefulness classification performances were evaluated for each CPAP in the split-night PSG data. The results indicate that the accuracy and sensitivity of sleep-wakefulness classification by CPAP variation shows no statistically significant difference (p  <  0.05). The contributions made in this study are applicable to the automatic classification of sleep-wakefulness states in CPAP devices and evaluation of the quality of sleep.

Azimuthal Anisotropy beneath the Contiguous United States Revealed by Shear Wave Splitting

NASA Astrophysics Data System (ADS)

Liu, K. H.; Yang, B.; Liu, Y.; Dahm, H. H.; Refayee, H. A.; Gao, S. S.

2017-12-01

We have produced a uniformly-measured XKS (including SKS, SKKS, and PKS) splitting database for the contiguous United States and adjacent areas. The database consists of about 30,000 pairs of splitting parameters from 3185 stations. Both the fast orientations and splitting times show systematic spatial variations. The vast majority of the fast orientations are in agreement with the absolute plate motion (APM) direction computed under a fixed hot-spot reference frame. Spatial coherency analysis of the splitting parameters indicates that for the majority of the study area, where a single layer of anisotropy with a horizontal axis of symmetry is inferred, the source of anisotropy is located in the rheologically transitional zone between the lithosphere and asthenosphere. Beneath the western U.S., the previously recognized semi-circular feature of the fast orientations has a much greater spatial coverage, extending to northern Mexico and the Rio Grande Rift. The fast orientations are parallel to the western, southern, and southeastern edges of the North American Craton and can be interpreted by simple shear strain associated with mantle flow around the cratonic keel. The combination of anisotropy induced by this around keel flow and the APM can effectively explain the E-W fast orientations beneath the southern margin of the North American Craton and NE U.S., as well as the nearly N-S fast orientations and small splitting times observed in the SE U.S. The splitting times show a systematic decrease from both the western and eastern U.S. toward the central U.S., where the thickness of the lithosphere is the largest in the study area. This trend can be explained by the reduced efficiency of anisotropy development at greater depth, as well as by the lack of around keel flow in the continental interior.

Nonlinear unstable viscous fingers in Hele--Shaw flows. I. Experiments

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

Kopf-Sill, A.R.; Homsy, G.M.

1988-02-01

Post-instability viscous fingering in rectilinear flow in a Hele--Shaw cell has been studied experimentally. Of particular interest was the characterization of the range of length scales associated with tip splitting, over a reasonably wide range of parameters. A digital imaging system was used to record the patterns as a function of time, which allowed properties such as the tip velocity, finger width, perimeter, and area to be studied as functions of time and capillary number. The tip velocity was observed to be approximately constant regardless of the occurrence of splitting events, and the average finger width decreased as the degreemore » of supercriticality increased. Quantitative measures of the fact that there is a limit to the complexity of viscous fingers are provided, and that over the range of parameters studied, no evidence for fractal fingering exists. A discussion of the dynamics of tip splitting explains why this is so.« less

Constraints on mirror models of dark matter from observable neutron-mirror neutron oscillation

NASA Astrophysics Data System (ADS)

Mohapatra, Rabindra N.; Nussinov, Shmuel

2018-01-01

The process of neutron-mirror neutron oscillation, motivated by symmetric mirror dark matter models, is governed by two parameters: n -n‧ mixing parameter δ and n -n‧ mass splitting Δ. For neutron mirror neutron oscillation to be observable, the splitting between their masses Δ must be small and current experiments lead to δ ≤ 2 ×10-27 GeV and Δ ≤10-24 GeV. We show that in mirror universe models where this process is observable, this small mass splitting constrains the way that one must implement asymmetric inflation to satisfy the limits of Big Bang Nucleosynthesis on the number of effective light degrees of freedom. In particular we find that if asymmetric inflation is implemented by inflaton decay to color or electroweak charged particles, the oscillation is unobservable. Also if one uses SM singlet fields for this purpose, they must be weakly coupled to the SM fields.

Splitting parameter yield (SPY): A program for semiautomatic analysis of shear-wave splitting

NASA Astrophysics Data System (ADS)

Zaccarelli, Lucia; Bianco, Francesca; Zaccarelli, Riccardo

2012-03-01

SPY is a Matlab algorithm that analyzes seismic waveforms in a semiautomatic way, providing estimates of the two observables of the anisotropy: the shear-wave splitting parameters. We chose to exploit those computational processes that require less intervention by the user, gaining objectivity and reliability as a result. The algorithm joins the covariance matrix and the cross-correlation techniques, and all the computation steps are interspersed by several automatic checks intended to verify the reliability of the yields. The resulting semiautomation generates two new advantages in the field of anisotropy studies: handling a huge amount of data at the same time, and comparing different yields. From this perspective, SPY has been developed in the Matlab environment, which is widespread, versatile, and user-friendly. Our intention is to provide the scientific community with a new monitoring tool for tracking the temporal variations of the crustal stress field.

Precision ESR measurements of transverse anisotropy in the single-molecule magnet Ni4

NASA Astrophysics Data System (ADS)

Collett, Charles A.; Allão Cassaro, Rafael A.; Friedman, Jonathan R.

2016-12-01

We present a method for precisely measuring the tunnel splitting in single-molecule magnets (SMMs) using electron-spin resonance, and use these measurements to precisely and independently determine the underlying transverse anisotropy parameter, given a certain class of transitions. By diluting samples of the SMM Ni4 via cocrystallization in a diamagnetic isostructural analog we obtain markedly narrower resonance peaks than are observed in undiluted samples. Using custom loop-gap resonators we measure the transitions at several frequencies, allowing a precise determination of the tunnel splitting. Because the transition under investigation occurs at zero field, and arises due to a first-order perturbation from the transverse anisotropy, we can determine the magnitude of this anisotropy independent of any other Hamiltonian parameters. This method can be applied to other SMMs with tunnel splittings arising from first-order transverse anisotropy perturbations.

Spectrum splitting metrics and effect of filter characteristics on photovoltaic system performance.

PubMed

Russo, Juan M; Zhang, Deming; Gordon, Michael; Vorndran, Shelby; Wu, Yuechen; Kostuk, Raymond K

2014-03-10

During the past few years there has been a significant interest in spectrum splitting systems to increase the overall efficiency of photovoltaic solar energy systems. However, methods for comparing the performance of spectrum splitting systems and the effects of optical spectral filter design on system performance are not well developed. This paper addresses these two areas. The system conversion efficiency is examined in detail and the role of optical spectral filters with respect to the efficiency is developed. A new metric termed the Improvement over Best Bandgap is defined which expresses the efficiency gain of the spectrum splitting system with respect to a similar system that contains the highest constituent single bandgap photovoltaic cell. This parameter indicates the benefit of using the more complex spectrum splitting system with respect to a single bandgap photovoltaic system. Metrics are also provided to assess the performance of experimental spectral filters in different spectrum splitting configurations. The paper concludes by using the methodology to evaluate spectrum splitting systems with different filter configurations and indicates the overall efficiency improvement that is possible with ideal and experimental designs.

Split Octonion Reformulation for Electromagnetic Chiral Media of Massive Dyons

NASA Astrophysics Data System (ADS)

Chanyal, B. C.

2017-12-01

In an explicit, unified, and covariant formulation of an octonion algebra, we study and generalize the electromagnetic chiral fields equations of massive dyons with the split octonionic representation. Starting with 2×2 Zorn’s vector matrix realization of split-octonion and its dual Euclidean spaces, we represent the unified structure of split octonionic electric and magnetic induction vectors for chiral media. As such, in present paper, we describe the chiral parameter and pairing constants in terms of split octonionic matrix representation of Drude-Born-Fedorov constitutive relations. We have expressed a split octonionic electromagnetic field vector for chiral media, which exhibits the unified field structure of electric and magnetic chiral fields of dyons. The beauty of split octonionic representation of Zorn vector matrix realization is that, the every scalar and vector components have its own meaning in the generalized chiral electromagnetism of dyons. Correspondingly, we obtained the alternative form of generalized Proca-Maxwell’s equations of massive dyons in chiral media. Furthermore, the continuity equations, Poynting theorem and wave propagation for generalized electromagnetic fields of chiral media of massive dyons are established by split octonionic form of Zorn vector matrix algebra.

Application of particle splitting method for both hydrostatic and hydrodynamic cases in SPH

NASA Astrophysics Data System (ADS)

Liu, W. T.; Sun, P. N.; Ming, F. R.; Zhang, A. M.

2018-01-01

Smoothed particle hydrodynamics (SPH) method with numerical diffusive terms shows satisfactory stability and accuracy in some violent fluid-solid interaction problems. However, in most simulations, uniform particle distributions are used and the multi-resolution, which can obviously improve the local accuracy and the overall computational efficiency, has seldom been applied. In this paper, a dynamic particle splitting method is applied and it allows for the simulation of both hydrostatic and hydrodynamic problems. The splitting algorithm is that, when a coarse (mother) particle enters the splitting region, it will be split into four daughter particles, which inherit the physical parameters of the mother particle. In the particle splitting process, conservations of mass, momentum and energy are ensured. Based on the error analysis, the splitting technique is designed to allow the optimal accuracy at the interface between the coarse and refined particles and this is particularly important in the simulation of hydrostatic cases. Finally, the scheme is validated by five basic cases, which demonstrate that the present SPH model with a particle splitting technique is of high accuracy and efficiency and is capable for the simulation of a wide range of hydrodynamic problems.

Small-bubble transport and splitting dynamics in a symmetric bifurcation.

PubMed

Qamar, Adnan; Warnez, Matthew; Valassis, Doug T; Guetzko, Megan E; Bull, Joseph L

2017-08-01

Simulations of small bubbles traveling through symmetric bifurcations are conducted to garner information pertinent to gas embolotherapy, a potential cancer treatment. Gas embolotherapy procedures use intra-arterial bubbles to occlude tumor blood supply. As bubbles pass through bifurcations in the blood stream nonhomogeneous splitting and undesirable bioeffects may occur. To aid development of gas embolotherapy techniques, a volume of fluid method is used to model the splitting process of gas bubbles passing through artery and arteriole bifurcations. The model reproduces the variety of splitting behaviors observed experimentally, including the bubble reversal phenomenon. Splitting homogeneity and maximum shear stress along the vessel walls is predicted over a variety of physical parameters. Small bubbles, having initial length less than twice the vessel diameter, were found unlikely to split in the presence of gravitational asymmetry. Maximum shear stresses were found to decrease exponentially with increasing Reynolds number. Vortex-induced shearing near the bifurcation is identified as a possible mechanism for endothelial cell damage.

More symmetrical gait after split-belt treadmill walking does not modify dynamic and postural balance in individuals post-stroke.

PubMed

Miéville, Carole; Lauzière, Séléna; Betschart, Martina; Nadeau, Sylvie; Duclos, Cyril

2018-04-24

Spontaneous gait is often asymmetrical in individuals post-stroke, despite their ability to walk more symmetrically on demand. Given the sensorimotor deficits in the paretic limb, this asymmetrical gait may facilitate balance maintenance. We used a split-belt walking protocol to alter gait asymmetry and determine the effects on dynamic and postural balance. Twenty individuals post-stroke walked on a split-belt treadmill. In two separate periods, the effects of walking with the non-paretic leg, and then the paretic one, on the faster belt on spatio-temporal symmetry and balance were compared before and after these perturbation periods. Kinematic and kinetic data were collected using a motion analysis system and an instrumented treadmill to determine symmetry ratios of spatiotemporal parameters and dynamic and postural balance. Balance, quantified by the concepts of stabilizing and destabilizing forces, was compared before and after split-belt walking for subgroups of participants who improved and worsened their symmetry. The side on the slow belt during split-belt walking, but not the changes in asymmetry, affected balance. Difficulty in maintaining balance was higher during stance phase of the leg that was on the slow belt and lower on the contralateral side after split-belt walking, mostly because the center of pressure was closer (higher difficulty) or further (lower difficulty) from the limit of the base of support, respectively. Changes in spatiotemporal parameters may be sought without additional alteration of balance during gait post-stroke. Copyright © 2018 Elsevier Ltd. All rights reserved.

Surface alloy engineering in 2D trigonal lattice: giant Rashba spin splitting and two large topological gaps

NASA Astrophysics Data System (ADS)

Liu, Zhao; Jin, Yingdi; Yang, Yuchen; Wang, Z. F.; Yang, Jinlong

2018-02-01

We demonstrate that sp 2 based trigonal lattice can exhibit giant Rashba splitting and two large topological gaps simultaneously. First, an effective tight binding model is developed to describe the Rashba spin-orbit coupling (SOC) on a real surface and give a topological phase diagram based on two independent SOC parameters. Second, based on density functional theory calculations, it is proposed that Au/Si(111)-\\sqrt{3}× \\sqrt{3} surface with 1/3 monolayer Bi coverage is a good material candidate to realize both giant Rashba splitting and two large topological gaps. These results would inspire great research interests for searching two-dimensional topological insulator and manipulating Rashba spin splitting through surface alloy engineering.

Time-lapse changes of P- and S-wave velocities and shear wave splitting in the first year after the 2011 Tohoku earthquake, Japan: shallow subsurface

NASA Astrophysics Data System (ADS)

Sawazaki, Kaoru; Snieder, Roel

2013-04-01

We detect time-lapse changes in P- and S-wave velocities (hereafter, VP and VS, respectively) and shear wave splitting parameters associated with the 2011 Tohoku earthquake, Japan, at depths between 0 and 504 m. We estimate not only medium parameters but also the 95 per cent confidence interval of the estimated velocity change by applying a new least squares inversion scheme to the deconvolution analysis of KiK-net vertical array records. Up to 6 per cent VS reduction is observed at more than half of the analysed KiK-net stations in northeastern Japan with over 95 per cent confidence in the first month after the main shock. There is a considerable correlation between the S-wave traveltime delay and the maximum horizontal dynamic strain (MDS) by the main shock motion when the strain exceeds 5 × 10- 4 on the ground surface. This correlation is not clearly observed for MDS at the borehole bottom. On the contrary, VP and shear wave splitting parameters do not show systematic changes after the Tohoku earthquake. These results indicate that the time-lapse change is concentrated near the ground surface, especially in loosely packed soil layers. We conclude that the behaviour of VP, VS and shear wave splitting parameters are explained by the generation of omnidirectional cracks near the ground surface and by the diffusion of water in the porous subsurface. Recovery of VS should be related to healing of the crack which is proportional to the logarithm of the lapse time after the main shock and/or to decompaction after shaking.

The Effect of Sequential Dependence on the Sampling Distributions of KR-20, KR-21, and Split-Halves Reliabilities.

ERIC Educational Resources Information Center

Sullins, Walter L.

Five-hundred dichotomously scored response patterns were generated with sequentially independent (SI) items and 500 with dependent (SD) items for each of thirty-six combinations of sampling parameters (i.e., three test lengths, three sample sizes, and four item difficulty distributions). KR-20, KR-21, and Split-Half (S-H) reliabilities were…

Residual topography and gravity anomalies reveal structural controls on co-seismic slip in the 2011 Mw 9.0 Tohoku-oki earthquake

NASA Astrophysics Data System (ADS)

Bassett, D.; Watts, A. B.; Sandwell, D. T.; Fialko, Y. A.

2016-12-01

We performed shear wave splitting analysis on 203 permanent (French RLPB, CEA and Catalonian networks) and temporary (PYROPE and IberArray experiments) broad-band stations around the Pyrenees. These measurements considerably enhance the spatial resolution and coverage of seismic anisotropy in that region. In particular, we characterize with different shear wave splitting analysis methods the small-scale variations of splitting parameters φ and δt along three dense transects crossing the western and central Pyrenees with an interstation spacing of about 7 km. While we find a relatively coherent seismic anisotropy pattern in the Pyrenean domain, we observe abrupt changes of splitting parameters in the Aquitaine Basin and delay times along the Pyrenees. We moreover observe coherent fast directions despite complex lithospheric structures in Iberia and the Massif Central. This suggests that two main sources of anisotropy are required to interpret seismic anisotropy in this region: (i) lithospheric fabrics in the Aquitaine Basin (probably frozen-in Hercynian anisotropy) and in the Pyrenees (early and late Pyrenean dynamics); (ii) asthenospheric mantle flow beneath the entire region (imprint of the western Mediterranean dynamics since the Oligocene).

Teleseismic SKS splitting beneath East Antarctica using broad-band stations around Soya Coast

NASA Astrophysics Data System (ADS)

Usui, Y.; Kanao, M.

2006-12-01

We observed shear wave splitting of SKS waves from digital seismographs that are recorded at 5 stations around Soya Coast in the Lutzow-Holm Bay, East Antarctica. Their recording systems are composed of a three-component broadband seismometer (CMG-40T), a digital recording unit and a solar power battery supply. The events used were selected from 1999 to 2004 and phase arrival times were calculated using the IASPEI91 earth model (Kennet, 1995). In general, we chose the data from earthquakes with m>6.0 and a distance range 85° < Δ < 130° for the most prominent SKS waves We used the methods of Silver and Chan (1991) for the inversion of anisotropy parameters and estimated the splitting parameters φ (fast polarization direction) and δt (delay time between split waves) assuming a single layer of hexagonal symmetry with a horizontal symmetry axis. The weighted averages of all splitting parameters (φ, δt) for each station are AKR (30±4, 1.30±0.2), LNG (58±6, 1.27±0.2), SKL (67±10, 0.94±0.2), SKV (40±6, 1.28±0.3) and TOT (52±8, 1.26±0.3), where the weights are inversely proportional to the standard deviations for each solution. As compared to typical delay times of SKS waves which show 1.2s (Silver and Chan 1991; Vinnik et al., 1992), the result shows generally the same value. In previous study, Kubo and Hiramatsu (1998) estimate the splitting parameter for Syowa station (SYO), where is located near our using stations in East Antarctica, and the results are (49±3, 0.70±0.1). Although it is consistent with our results for fast polarization direction, δt for our results are large relatively to those of SYO. The difference may be due to either different incident angle or more complex anisotropic structure. We found that fast polarization direction is systematically parallel to coast line in the Lutzow-Holm Bay, East Antarctica, which is consistent with NE-SW paleo compressional stress. The absolute plate motion based on the HS2-NUVEL1 (Gripp and Gordon, 1990), that may reflect the present horizontal mantle flow, shows the direction of N120°E and velocity of 1cm/yr in this study region. Since it doesn't coincide with fast polarization direction (the difference is about 50°~90°), we conclude that the mechanism of observed anisotropy is lattice preferred orientation of olivine along the mantle flow which caused NE-SW paleo compressional stress. In future works, we will accomplish the analysis assumed more complex anisotropy systems, such as a two layer model of azimuthal anisotropy, because we could find there is the possibility of azimuthal variations of the splitting parameters in a few station.

Antiferromagnetism in a Family of S = 1 Square Lattice Coordination Polymers NiX 2 (pyz) 2 (X = Cl, Br, I, NCS; pyz = Pyrazine)

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

Liu, Junjie; Goddard, Paul A.; Singleton, John

The crystal structures of NiX2(pyz)(2) (X = Cl (1), Br (2), I (3), and NCS (4)) were determined by synchrotron X-ray powder diffraction. All four compounds consist of two-dimensional (2D) square arrays self-assembled from octahedral NiN4X2 units that are bridged by pyz ligands. The 2D layered motifs displayed by 1-4 are relevant to bifluoride-bridged [Ni(HF2) (pyz)(2)]EF6 (E = P, Sb), which also possess the same 2D layers. In contrast, terminal X ligands occupy axial positions in 1-4 and cause a staggered packing of adjacent layers. Long-range antiferromagnetic (AFM) order occurs below 1.5 (Cl), 1.9 (Br and NCS), and 2.5 Kmore » (I) as determined by heat capacity and muon-spin relaxation. The single-ion anisotropy and g factor of 2, 3, and 4 were measured by electron-spin resonance with no evidence for zero field splitting (ZFS) being observed. The magnetism of 1-4 spans the spectrum from quasi-two-dimensional (2D) to three-dimensional (3D) antiferromagnetism. Nearly identical results and thermodynamic features were obtained for 2 and 4 as shown by pulsed-field magnetization, magnetic susceptibility, as well as their Neel temperatures. Magnetization curves for 2 and 4 calculated by quantum Monte Carlo simulation also show excellent agreement with the pulsed-field data. Compound 3 is characterized as a 3D AFM with the interlayer interaction (j(perpendicular to)) being slightly stronger than the intralayer interaction along Ni-pyz-Ni segments (j(pyz)) within the two-dimensional [Ni(pyz)(2)](2+) square planes. Regardless of X, j(pyz), is similar for the four compounds and is roughly 1 K.« less

Self-assembly of novel manganese (II) compounds based on bifunctional-group ligands: Synthesis, structures, and magnetic properties

NASA Astrophysics Data System (ADS)

Yan, Juan-zhi; Lu, Li-ping; Zhu, Miao-li; Feng, Si-si

2018-06-01

Four manganese (II) compounds are obtained by the reaction of manganese salts, triazole-derivatives and auxiliary reagents in aqueous solution or mix-solvents by routine or hydrothermal reactions. X-ray crystal structure analyses reveal that a neutral 0D compound [Mn(Hmctrz)2(H2O)2] (1) (H2mctrz = 1H-1,2,4-triazole-3-carboxylic acid) displays a centro-symmetric mononuclear octahedral entity with two Hmctrz- anions and two water molecules; two neutral 2D clusters [Mn(Hdctrz)(H2O)2]n (2) (H3dctrz = 1H-1,2,4-triazole-3,5-dicarboxylic acid) and [Mn2(pbtrz)(btca)]n·4nH2O (3) (pbtrz = 1,3-bis(1,2,4-triazol-1-yl)-propane&H4btca = benzene-1,2,4,5-tetracarboxylic acid) possess layer structures with Hdctrz2- linkers (2) and Mn(II)-pbtrz-Mn(II) building blocks periodically extended by μ-btca4- connectors (3); [Mn(pbtrz)]n·nOAc·nOH (4) shows a 3D diamond-shaped cationic framework with the anion void volume of 49.2%. Nitrogenous bases are used as the auxiliary ligand in compound 3 and the temple ligand in compounds 1, 2, and 4. Compounds 1-4 show antiferromagnetic coupling that has been fitted by different models with the molecular field approximate with D = - 0.129(1) cm-1 for 1, J = - 0.354(4) cm-1 for 2 and J = - 0.696(6) cm-1 for 3, respectively. The magnetic differences can be related to different superexchange interactions transmitted by the crystal lattice and/or the zero field splitting (ZFS) of the 6A1g single-ion states of 1 and the syn-anti-COO- of 2 as well as the mixed magnetic bridges of μ1-O and μ-pbtrz-μ-COO- of 3.

Seismic anisotropy of the crust and upper mantle in central Tibetan Plateau revealed by shear-wave splitting

NASA Astrophysics Data System (ADS)

Wu, C.; Tian, X.; Xu, T.; Liang, X.; Chen, Y.; Teng, J.

2017-12-01

Seismic anisotropy that results from deformation of the materials in the Earth is essentially important for understanding the deformation styles at different depths. In the central Tibetan Plateau the shear wave splitting measurements of local S-wave, Pms and SKS phases were calculated applying the broadband seismic data of SANDWICH array, and the anisotropy features of the crust and upper mantle were displayed. SKS splitting results show that the study area is strongly anisotropic as a whole. The average splitting parameters are 65.2°/1.28 s, and there are 17 stations existing individual splitting results larger than 2.0 s. The southeastern part is weakly anisotropic with average splitting parameters 61.0°/0.64 s. Applying spatial coherence technique the optimal depth of the source of anisotropy is 130 160 km, located in the asthenosphere. The subducting Indian plate advancing in NE direction and rigid blocks such as Qaidam basin obstructing in the north cause NEE direction asthenospheric flow which produces the anisotropy. The weak anisotropy of southeastern part is corresponding to the low velocity anomalies in the upper mantle, which may be attributed to local upwelling of asthenosphere from the slab tearing region. The crust media also make contribution to the strong anisotropy. S-wave splitting results which reflect upper crust anisotropy show that the average parameters of three stations in western part are 60.4°/1.53 ms/km, and those of two stations in eastern part are 10.9°/4.64 ms/km. The principle compressive stress controlled by structures varies from NE in the west to nearly NS in the east. Under the assumption that the thickness of upper crust is 20 km, the delay time of upper crust is smaller than 0.1 s. Whole crust anisotropy is obtained by calculating receiver functions and fitting the variation of arrival times of Pms phases with the backazimuths. The fast directions are NE-EW direction with average value 76.4°, nearly consistent with SKS fast directions, and the average delay time is about 0.5 s. The source of crust anisotropy mainly comes from middle-lower crust, which is possibly related to middle-lower crust flow.

Fast parallel MR image reconstruction via B1-based, adaptive restart, iterative soft thresholding algorithms (BARISTA).

PubMed

Muckley, Matthew J; Noll, Douglas C; Fessler, Jeffrey A

2015-02-01

Sparsity-promoting regularization is useful for combining compressed sensing assumptions with parallel MRI for reducing scan time while preserving image quality. Variable splitting algorithms are the current state-of-the-art algorithms for SENSE-type MR image reconstruction with sparsity-promoting regularization. These methods are very general and have been observed to work with almost any regularizer; however, the tuning of associated convergence parameters is a commonly-cited hindrance in their adoption. Conversely, majorize-minimize algorithms based on a single Lipschitz constant have been observed to be slow in shift-variant applications such as SENSE-type MR image reconstruction since the associated Lipschitz constants are loose bounds for the shift-variant behavior. This paper bridges the gap between the Lipschitz constant and the shift-variant aspects of SENSE-type MR imaging by introducing majorizing matrices in the range of the regularizer matrix. The proposed majorize-minimize methods (called BARISTA) converge faster than state-of-the-art variable splitting algorithms when combined with momentum acceleration and adaptive momentum restarting. Furthermore, the tuning parameters associated with the proposed methods are unitless convergence tolerances that are easier to choose than the constraint penalty parameters required by variable splitting algorithms.

Fast Parallel MR Image Reconstruction via B1-based, Adaptive Restart, Iterative Soft Thresholding Algorithms (BARISTA)

PubMed Central

Noll, Douglas C.; Fessler, Jeffrey A.

2014-01-01

Sparsity-promoting regularization is useful for combining compressed sensing assumptions with parallel MRI for reducing scan time while preserving image quality. Variable splitting algorithms are the current state-of-the-art algorithms for SENSE-type MR image reconstruction with sparsity-promoting regularization. These methods are very general and have been observed to work with almost any regularizer; however, the tuning of associated convergence parameters is a commonly-cited hindrance in their adoption. Conversely, majorize-minimize algorithms based on a single Lipschitz constant have been observed to be slow in shift-variant applications such as SENSE-type MR image reconstruction since the associated Lipschitz constants are loose bounds for the shift-variant behavior. This paper bridges the gap between the Lipschitz constant and the shift-variant aspects of SENSE-type MR imaging by introducing majorizing matrices in the range of the regularizer matrix. The proposed majorize-minimize methods (called BARISTA) converge faster than state-of-the-art variable splitting algorithms when combined with momentum acceleration and adaptive momentum restarting. Furthermore, the tuning parameters associated with the proposed methods are unitless convergence tolerances that are easier to choose than the constraint penalty parameters required by variable splitting algorithms. PMID:25330484

Analysis of selected volatile organic compounds in split and nonsplit swiss cheese samples using selected-ion flow tube mass spectrometry (SIFT-MS).

PubMed

Castada, Hardy Z; Wick, Cheryl; Taylor, Kaitlyn; Harper, W James

2014-04-01

Splits/cracks are recurring product defects that negatively affect the Swiss cheese industry. Investigations to understand the biophysicochemical aspects of these defects, and thus determine preventive measures against their occurrence, are underway. In this study, selected-ion, flow tube mass spectrometry was employed to determine the volatile organic compound (VOC) profiles present in the headspace of split compared with nonsplit cheeses. Two sampling methodologies were employed: split compared with nonsplit cheese vat pair blocks; and comparison of blind, eye, and split segments within cheese blocks. The variability in VOC profiles was examined to evaluate the potential biochemical pathway chemistry differences within and between cheese samples. VOC profile inhomogeneity was most evident in cheeses between factories. Evaluation of biochemical pathways leading to the formation of key VOCs differentiating the split from the blind and eye segments within factories indicated release of additional carbon dioxide by-product. These results suggest a factory-dependent cause of split formation that could develop from varied fermentation pathways in the blind, eye, and split areas within a cheese block. The variability of VOC profiles within and between factories exhibit varied biochemical fermentation pathways that could conceivably be traced back in the making process to identify parameters responsible for split defect. © 2014 Institute of Food Technologists®

Triadic split-merge sampler

NASA Astrophysics Data System (ADS)

van Rossum, Anne C.; Lin, Hai Xiang; Dubbeldam, Johan; van der Herik, H. Jaap

2018-04-01

In machine vision typical heuristic methods to extract parameterized objects out of raw data points are the Hough transform and RANSAC. Bayesian models carry the promise to optimally extract such parameterized objects given a correct definition of the model and the type of noise at hand. A category of solvers for Bayesian models are Markov chain Monte Carlo methods. Naive implementations of MCMC methods suffer from slow convergence in machine vision due to the complexity of the parameter space. Towards this blocked Gibbs and split-merge samplers have been developed that assign multiple data points to clusters at once. In this paper we introduce a new split-merge sampler, the triadic split-merge sampler, that perform steps between two and three randomly chosen clusters. This has two advantages. First, it reduces the asymmetry between the split and merge steps. Second, it is able to propose a new cluster that is composed out of data points from two different clusters. Both advantages speed up convergence which we demonstrate on a line extraction problem. We show that the triadic split-merge sampler outperforms the conventional split-merge sampler. Although this new MCMC sampler is demonstrated in this machine vision context, its application extend to the very general domain of statistical inference.

Chemical (knight) shift distortions of quadrupole-split deuteron powder spectra in solids

NASA Astrophysics Data System (ADS)

Torgeson, D. R.; Schoenberger, R. J.; Barnes, R. G.

In strong magnetic fields (e.g., 8 Tesla) anisotropy of the shift tensor (chemical or Knight shift) can alter the spacings of the features of quadrupole-split deuteron spectra of polycrystalline samples. Analysis of powder spectra yields both correct quadrupole coupling and symmetry parameters and all the components of the shift tensor. Synthetic and experimental examples are given to illustrate such behavior.

Automated cloud screening of AVHRR imagery using split-and-merge clustering

NASA Technical Reports Server (NTRS)

Gallaudet, Timothy C.; Simpson, James J.

1991-01-01

Previous methods to segment clouds from ocean in AVHRR imagery have shown varying degrees of success, with nighttime approaches being the most limited. An improved method of automatic image segmentation, the principal component transformation split-and-merge clustering (PCTSMC) algorithm, is presented and applied to cloud screening of both nighttime and daytime AVHRR data. The method combines spectral differencing, the principal component transformation, and split-and-merge clustering to sample objectively the natural classes in the data. This segmentation method is then augmented by supervised classification techniques to screen clouds from the imagery. Comparisons with other nighttime methods demonstrate its improved capability in this application. The sensitivity of the method to clustering parameters is presented; the results show that the method is insensitive to the split-and-merge thresholds.

Shear wave splitting and upper mantle deformation in French Polynesia: Evidence for small-scale heterogeneity related to the Society hotspot

NASA Astrophysics Data System (ADS)

Russo, R. M.; Okal, E. A.

1998-07-01

We determined shear wave splitting parameters at four island sites in French Polynesia: Tiputa (TPT) on Rangiroa in the Tuamotu archipelago; Papeete (PPT) on Tahiti in the Society Islands; Tubuai (TBI) in the Cook-Austral island chain; and Rikitea (RKT) on Mangareva in the Gambier Islands. We also examined splitting at Pitcairn (PTCN) on Pitcairn Island; because of the short time of operation of PTCN, our results there are preliminary. We find substantial differences in splitting, most likely caused by variable upper mantle deformation beneath the five stations. At TPT the fast split shear wave (ϕ) direction is N66°W±4°, parallel to the current Pacific-hotspots relative motion (APM) vector; the delay time between fast and slow waves is 1.3±0.2 s. At PPT, on Tahiti, we could detect no splitting despite many clear SKS observations. At TBI, on Tubuai we detected splitting with a delay time of 1.1±0.1 s and a ϕ direction midway between the local APM direction and the fossil spreading direction (N86°W±2°), as locally indicated by the nearby Austral Fracture Zone. At RKT in the Gambier Islands, ϕ trends N53°W±6°, 16° clockwise of the local APM azimuth, and delay time at RKT is 1.1±0.1 s. Results at PTCN include ϕ near N38°W±9° and a delay time of 1.1±0.3 s. These different results imply variable upper mantle deformation beneath the five sites. We interpret splitting at TPT and, possibly, RKT as indicative of asthenospheric flow or shear in the APM direction beneath the stations. At PPT, azimuthal isotropy indicates deformed upper mantle with a vertical symmetry axis, or absence of strong or consistently oriented mantle deformation fabric beneath Tahiti. Either effect could be related to recent hotspot magmatism on Tahiti. At TBI, splitting may be complicated by juxtaposition of different lithospheric thicknesses along the nearby Austral Fracture Zone, resulting in perturbation of asthenospheric flow. The absence of splitting related to fossil spreading in French Polynesia indicates that upper mantle deformation processes postdating lithosphere formation are important at all four sites within that region. The ϕ azimuth at PTCN does not align with either the fossil direction or the APM direction, but our best individual determination of splitting parameters at this station lies within 10° of the local APM at Pitcairn Island.

Engineered split in Pfu DNA polymerase fingers domain improves incorporation of nucleotide gamma-phosphate derivative.

PubMed

Hansen, Connie J; Wu, Lydia; Fox, Jeffrey D; Arezi, Bahram; Hogrefe, Holly H

2011-03-01

Using compartmentalized self-replication (CSR), we evolved a version of Pyrococcus furiosus (Pfu) DNA polymerase that tolerates modification of the γ-phosphate of an incoming nucleotide. A Q484R mutation in α-helix P of the fingers domain, coupled with an unintended translational termination-reinitiation (split) near the finger tip, dramatically improve incorporation of a bulky γ-phosphate-O-linker-dabcyl substituent. Whether synthesized by coupled translation from a bicistronic (-1 frameshift) clone, or reconstituted from separately expressed and purified fragments, split Pfu mutant behaves identically to wild-type DNA polymerase with respect to chromatographic behavior, steady-state kinetic parameters (for dCTP), and PCR performance. Although naturally-occurring splits have been identified previously in the finger tip region of T4 gp43 variants, this is the first time a split (in combination with a point mutation) has been shown to broaden substrate utilization. Moreover, this latest example of a split hyperthermophilic archaeal DNA polymerase further illustrates the modular nature of the Family B DNA polymerase structure.

Recycling of rare earth particle by mini-hydrocyclones.

PubMed

Yu, Jian-Feng; Fu, Jian; Cheng, Hao; Cui, Zhengwei

2017-03-01

Mini-hydrocyclones were applied to separate the fine rare earth particles from the suspensions. The effects of the flow rate, split ratio, and feed concentration on the total separation efficiency and grade separation efficiency were studied. The combined effects of the flow rate (1200-1600L/h), split ratio (20-60%) and concentration (0.6-1.0wt%) on the total separation efficiency in mini-hydrocyclones were investigated using a response surface methodology. The optimum operating parameters for a total separation efficiency of 92.5% were: feed flow rate=1406L/h, split ratio=20%, and feed concentration=1wt%. Copyright © 2016 Elsevier Ltd. All rights reserved.

A Method to Analyze and Optimize the Load Sharing of Split Path Transmissions

NASA Technical Reports Server (NTRS)

Krantz, Timothy L.

1996-01-01

Split-path transmissions are promising alternatives to the common planetary transmissions for rotorcraft. Heretofore, split-path designs proposed for or used in rotorcraft have featured load-sharing devices that add undesirable weight and complexity to the designs. A method was developed to analyze and optimize the load sharing in split-path transmissions without load-sharing devices. The method uses the clocking angle as a design parameter to optimize for equal load sharing. In addition, the clocking angle tolerance necessary to maintain acceptable load sharing can be calculated. The method evaluates the effects of gear-shaft twisting and bending, tooth bending, Hertzian deformations within bearings, and movement of bearing supports on load sharing. It was used to study the NASA split-path test gearbox and the U.S. Army's Comanche helicopter main rotor gearbox. Acceptable load sharing was found to be achievable and maintainable by using proven manufacturing processes. The analytical results compare favorably to available experimental data.

Bubble transport in bifurcations

NASA Astrophysics Data System (ADS)

Bull, Joseph; Qamar, Adnan

2017-11-01

Motivated by a developmental gas embolotherapy technique for cancer treatment, we examine the transport of bubbles entrained in liquid. In gas embolotherapy, infarction of tumors is induced by selectively formed vascular gas bubbles that originate from acoustic vaporization of vascular droplets. In the case of non-functionalized droplets with the objective of vessel occlusion, the bubbles are transported by flow through vessel bifurcations, where they may split prior to eventually reach vessels small enough that they become lodged. This splitting behavior affects the distribution of bubbles and the efficacy of flow occlusion and the treatment. In these studies, we investigated bubble transport in bifurcations using computational and theoretical modeling. The model reproduces the variety of experimentally observed splitting behaviors. Splitting homogeneity and maximum shear stress along the vessel walls is predicted over a variety of physical parameters. Maximum shear stresses were found to decrease with increasing Reynolds number. The initial bubble length was found to affect the splitting behavior in the presence of gravitational asymmetry. This work was supported by NIH Grant R01EB006476.

Precision ESR Measurements of Transverse Anisotropy in the Single-molecule Magnet Ni4

NASA Astrophysics Data System (ADS)

Friedman, Jonathan; Collett, Charles; Allao Cassaro, Rafael

We present a method to precisely determine the transverse anisotropy in a single-molecule magnet (SMM) through electron-spin resonance measurements of a tunnel splitting that arises from the anisotropy via first-order perturbation theory. We demonstrate the technique using the SMM Ni4 diluted via co-crystallization in a diamagnetic isostructural analogue. At 5% dilution, we find markedly narrower resonance peaks than are observed in undiluted samples. Ni4 has a zero-field tunnel splitting of 4 GHz, and we measure that transition at several nearby frequencies using custom loop-gap resonators, allowing a precise determination of the tunnel splitting. Because the transition under investigation arises due to a first-order perturbation from the transverse anisotropy, and lies at zero field, we can relate the splitting to the transverse anisotropy independent of any other Hamiltonian parameters. This method can be applied to other SMMs with zero-field tunnel splittings arising from first-order transverse anisotropy perturbations. NSF Grant No. DMR-1310135.

Fractal Analysis and Hurst Parameter for Intrapartum Fetal Heart Rate Variability Analysis: A Versatile Alternative to Frequency Bands and LF/HF Ratio

PubMed Central

Doret, Muriel; Spilka, Jiří; Chudáček, Václav; Gonçalves, Paulo; Abry, Patrice

2015-01-01

Background The fetal heart rate (FHR) is commonly monitored during labor to detect early fetal acidosis. FHR variability is traditionally investigated using Fourier transform, often with adult predefined frequency band powers and the corresponding LF/HF ratio. However, fetal conditions differ from adults and modify spectrum repartition along frequencies. Aims This study questions the arbitrariness definition and relevance of the frequency band splitting procedure, and thus of the calculation of the underlying LF/HF ratio, as efficient tools for characterizing intrapartum FHR variability. Study Design The last 30 minutes before delivery of the intrapartum FHR were analyzed. Subjects Case-control study. A total of 45 singletons divided into two groups based on umbilical cord arterial pH: the Index group with pH ≤ 7.05 (n = 15) and Control group with pH > 7.05 (n = 30). Outcome Measures Frequency band-based LF/HF ratio and Hurst parameter. Results This study shows that the intrapartum FHR is characterized by fractal temporal dynamics and promotes the Hurst parameter as a potential marker of fetal acidosis. This parameter preserves the intuition of a power frequency balance, while avoiding the frequency band splitting procedure and thus the arbitrary choice of a frequency separating bands. The study also shows that extending the frequency range covered by the adult-based bands to higher and lower frequencies permits the Hurst parameter to achieve better performance for identifying fetal acidosis. Conclusions The Hurst parameter provides a robust and versatile tool for quantifying FHR variability, yields better acidosis detection performance compared to the LF/HF ratio, and avoids arbitrariness in spectral band splitting and definitions. PMID:26322889

Evaluation of Mandibular Anatomy Associated With Bad Splits in Sagittal Split Ramus Osteotomy of Mandible.

PubMed

Wang, Tongyue; Han, Jeong Joon; Oh, Hee-Kyun; Park, Hong-Ju; Jung, Seunggon; Park, Yeong-Joon; Kook, Min-Suk

2016-07-01

This study aimed to identify risk factors associated with bad splits during sagittal split ramus osteotomy by using three-dimensional computed tomography. This study included 8 bad splits and 47 normal patients without bad splits. Mandibular anatomic parameters related to osteotomy line were measured. These included anteroposterior width of the ramus at level of lingula, distance between external oblique ridge and lingula, distance between sigmoid notch and inferior border of mandible, mandibular angle, distance between inferior outer surface of mandibular canal and inferior border of mandible under distal root of second molar (MCEM), buccolingual thickness of the ramus at level of lingula, and buccolingual thickness of the area just distal to first molar (BTM1) and second molar (BTM2). The incidence of bad splits in 625 sagittal split osteotomies was 1.28%. Compared with normal group, bad split group exhibited significantly thinner BTM2 and shorter sigmoid notch and inferior border of mandible (P <0.05). However, for BTM1 and buccolingual thickness of the ramus at level of lingula, there was no statistical difference between the 2 groups. Mandibular angle, anteroposterior width of the ramus at level of lingula, external oblique ridge and lingula, and MCEM were not significantly different between the groups. This study suggests that patients with shorter ramus and low thickness of the buccolingual alveolar region distal to the second molar had a higher risk of bad splits. These anatomic data may help surgeons to choose the safest surgical techniques and best osteotomy sites.

Numerical investigation on splitting of ferrofluid microdroplets in T-junctions using an asymmetric magnetic field with proposed correlation

NASA Astrophysics Data System (ADS)

Aboutalebi, Mohammad; Bijarchi, Mohamad Ali; Shafii, Mohammad Behshad; Kazemzadeh Hannani, Siamak

2018-02-01

The studies surrounding the concept of microdroplets have seen a dramatic increase in recent years. Microdroplets have applications in different fields such as chemical synthesis, biology, separation processes and micro-pumps. This study numerically investigates the effect of different parameters such as Capillary number, Length of droplets, and Magnetic Bond number on the splitting process of ferrofluid microdroplets in symmetric T-junctions using an asymmetric magnetic field. The use of said field that is applied asymmetrically to the T-junction center helps us control the splitting of ferrofluid microdroplets. During the process of numerical simulation, a magnetic field with various strengths from a dipole located at a constant distance from the center of the T-junction was applied. The main advantage of this design is its control over the splitting ratio of daughter droplets and reaching various microdroplet sizes in a T-junction by adjusting the magnetic field strength. The results showed that by increasing the strength of the magnetic field, the possibility of asymmetric splitting of microdroplets increases in a way that for high values of field strength, high splitting ratios can be reached. Also, by using the obtained results at various Magnetic Bond numbers and performing curve fitting, a correlation is derived that can be used to accurately predict the borderline between splitting and non-splitting zones of microdroplets flow in micro T-junctions.

Unbalanced and Minimal Point Equivalent Estimation Second-Order Split-Plot Designs

NASA Technical Reports Server (NTRS)

Parker, Peter A.; Kowalski, Scott M.; Vining, G. Geoffrey

2007-01-01

Restricting the randomization of hard-to-change factors in industrial experiments is often performed by employing a split-plot design structure. From an economic perspective, these designs minimize the experimental cost by reducing the number of resets of the hard-to- change factors. In this paper, unbalanced designs are considered for cases where the subplots are relatively expensive and the experimental apparatus accommodates an unequal number of runs per whole-plot. We provide construction methods for unbalanced second-order split- plot designs that possess the equivalence estimation optimality property, providing best linear unbiased estimates of the parameters; independent of the variance components. Unbalanced versions of the central composite and Box-Behnken designs are developed. For cases where the subplot cost approaches the whole-plot cost, minimal point designs are proposed and illustrated with a split-plot Notz design.

Pressure variation of Rashba spin splitting toward topological transition in the polar semiconductor BiTeI

NASA Astrophysics Data System (ADS)

Ideue, T.; Checkelsky, J. G.; Bahramy, M. S.; Murakawa, H.; Kaneko, Y.; Nagaosa, N.; Tokura, Y.

2014-10-01

BiTeI is a polar semiconductor with gigantic Rashba spin-split bands in bulk. We have investigated the effect of pressure on the electronic structure of this material via magnetotransport. Periods of Shubunikov-de Haas (SdH) oscillations originating from the spin-split outer Fermi surface and inner Fermi surface show disparate responses to pressure, while the carrier number derived from the Hall effect is unchanged with pressure. The associated parameters which characterize the spin-split band structure are strongly dependent on pressure, reflecting the pressure-induced band deformation. We find the SdH oscillations and transport response are consistent with the theoretically proposed pressure-induced band deformation leading to a topological phase transition. Our analysis suggests the critical pressure for the quantum phase transition near Pc=3.5 GPa.

Investigation of mantle kinematics beneath the Hellenic-subduction zone with teleseismic direct shear waves

NASA Astrophysics Data System (ADS)

Confal, Judith M.; Eken, Tuna; Tilmann, Frederik; Yolsal-Çevikbilen, Seda; Çubuk-Sabuncu, Yeşim; Saygin, Erdinc; Taymaz, Tuncay

2016-12-01

The subduction and roll-back of the African plate beneath the Eurasian plate along the arcuate Hellenic trench is the dominant geodynamic process in the Aegean and western Anatolia. Mantle flow and lithospheric kinematics in this region can potentially be understood better by mapping seismic anisotropy. This study uses direct shear-wave splitting measurements based on the Reference Station Technique in the southern Aegean Sea to reveal seismic anisotropy in the mantle. The technique overcomes possible contamination from source-side anisotropy on direct S-wave signals recorded at a station pair by maximizing the correlation between the seismic traces at reference and target stations after correcting the reference stations for known receiver-side anisotropy and the target stations for arbitrary splitting parameters probed via a grid search. We obtained splitting parameters at 35 stations with good-quality S-wave signals extracted from 81 teleseismic events. Employing direct S-waves enabled more stable and reliable splitting measurements than previously possible, based on sparse SKS data at temporary stations, with one to five events for local SKS studies, compared with an average of 12 events for each station in this study. The fast polarization directions mostly show NNE-SSW orientation with splitting time delays between 1.15 s and 1.62 s. Two stations in the west close to the Hellenic Trench and one in the east show N-S oriented fast polarizations. In the back-arc region three stations exhibit NE-SW orientation. The overall fast polarization variations tend to be similar to those obtained from previous SKS splitting studies in the region but indicate a more consistent pattern, most likely due to the usage of a larger number of individual observations in direct S-wave derived splitting measurements. Splitting analysis on direct shear waves typically resulted in larger split time delays compared to previous studies, possibly because S-waves travel along a longer path in the same anisotropic structure. Considering the S-derived splitting measurements of this study together with earlier SKS and Rayleigh wave anisotropy modelling results we suggest that the very consistent direct S-derived fast shear wave directions can be explained by the lattice-preferred orientation of olivine in the asthenospheric mantle due to mantle flow induced by the roll-back of the slab. It is possible that a small contribution originated in the lower crust beneath the study region where anisotropic fabric might have formed in response to extension in the Miocene.

Analysis and synthesis of bianisotropic metasurfaces by using analytical approach based on equivalent parameters

NASA Astrophysics Data System (ADS)

Danaeifar, Mohammad; Granpayeh, Nosrat

2018-03-01

An analytical method is presented to analyze and synthesize bianisotropic metasurfaces. The equivalent parameters of metasurfaces in terms of meta-atom properties and other specifications of metasurfaces are derived. These parameters are related to electric, magnetic, and electromagnetic/magnetoelectric dipole moments of the bianisotropic media, and they can simplify the analysis of complicated and multilayer structures. A metasurface of split ring resonators is studied as an example demonstrating the proposed method. The optical properties of the meta-atom are explored, and the calculated polarizabilities are applied to find the reflection coefficient and the equivalent parameters of the metasurface. Finally, a structure consisting of two metasurfaces of the split ring resonators is provided, and the proposed analytical method is applied to derive the reflection coefficient. The validity of this analytical approach is verified by full-wave simulations which demonstrate good accuracy of the equivalent parameter method. This method can be used in the analysis and synthesis of bianisotropic metasurfaces with different materials and in different frequency ranges by considering electric, magnetic, and electromagnetic/magnetoelectric dipole moments.

A new approach to estimate parameters of speciation models with application to apes.

PubMed

Becquet, Celine; Przeworski, Molly

2007-10-01

How populations diverge and give rise to distinct species remains a fundamental question in evolutionary biology, with important implications for a wide range of fields, from conservation genetics to human evolution. A promising approach is to estimate parameters of simple speciation models using polymorphism data from multiple loci. Existing methods, however, make a number of assumptions that severely limit their applicability, notably, no gene flow after the populations split and no intralocus recombination. To overcome these limitations, we developed a new Markov chain Monte Carlo method to estimate parameters of an isolation-migration model. The approach uses summaries of polymorphism data at multiple loci surveyed in a pair of diverging populations or closely related species and, importantly, allows for intralocus recombination. To illustrate its potential, we applied it to extensive polymorphism data from populations and species of apes, whose demographic histories are largely unknown. The isolation-migration model appears to provide a reasonable fit to the data. It suggests that the two chimpanzee species became reproductively isolated in allopatry approximately 850 Kya, while Western and Central chimpanzee populations split approximately 440 Kya but continued to exchange migrants. Similarly, Eastern and Western gorillas and Sumatran and Bornean orangutans appear to have experienced gene flow since their splits approximately 90 and over 250 Kya, respectively.

Mutation induction in haploid yeast after split-dose radiation-exposure. I. Fractionated UV-irradiation.

PubMed

Schenk, K; Zölzer, F; Kiefer, J

1989-01-01

Mutation induction was investigated in wild-type haploid yeast Saccharomyces cerevisiae after split-dose UV-irradiation. Cells were exposed to fractionated 254 nm-UV-doses separated by intervals from 0 to 6 h with incubation either on non-nutrient or nutrient agar between. The test parameter was resistance to canavanine. If modifications of sensitivity due to incubation are appropriately taken into account there is no change of mutation frequency.

Lithospheric deformation in the Canadian Appalachians: evidence from shear wave splitting

NASA Astrophysics Data System (ADS)

Bastow, I. D.; Gilligan, A.; Watson, E.; Darbyshire, F. A.; Levin, V. L.; Menke, W. H.; Lane, V.; Boyce, A.; Liddell, M. V.; Petrescu, L.; Hawthorn, D.

2016-12-01

Plate-scale deformation is expected to impart seismic anisotropic fabrics on the lithosphere. Determination of the fast shear wave orientation (φ ) and the delay time between the fast and slow split shear waves (δt ) via SKS splitting can help place spatial and temporal constraints on lithospheric deformation. The Canadian Appalachians experienced multiple episodes of deformation during the Phanerozoic: accretionary collisions during the Palaeozoic prior to the collision between Laurentia and Gondwana, and rifting related to the Mesozoic opening of the North Atlantic. However, the extent to which extensional events have overprinted older orogenic trends is uncertain. We address this issue through measurements of seismic anisotropy beneath the Canadian Appalachians, computing shear wave splitting parameters (φ , δt ) for new and existing seismic stations in Nova Scotia and New Brunswick. Average δt values of 1.2 s, relatively short length scale (≥ 100 km) splitting parameter variations, and a lack of correlation with absolute plate motion direction and mantle flow models, demonstrate that fossil lithospheric anisotropic fabrics dominate our results. Most fast directions parallel Appalachian orogenic trends observed at the surface, while δt values point towards coherent deformation of the crust and mantle lithosphere. Mesozoic rifting had minimal impact on our study area, except locally within the Bay of Fundy and in southern Nova Scotia, where fast directions are subparallel to the opening direction of Mesozoic rifting; associated δt values of > 1 s require an anisotropic layer that spans both the crust and mantle, meaning the formation of the Bay of Fundy was not merely a thin-skinned tectonic event.

Lithospheric deformation in the Canadian Appalachians: evidence from shear wave splitting

NASA Astrophysics Data System (ADS)

Gilligan, Amy; Bastow, Ian D.; Watson, Emma; Darbyshire, Fiona A.; Levin, Vadim; Menke, William; Lane, Victoria; Hawthorn, David; Boyce, Alistair; Liddell, Mitchell V.; Petrescu, Laura

2016-08-01

Plate-scale deformation is expected to impart seismic anisotropic fabrics on the lithosphere. Determination of the fast shear wave orientation (ϕ) and the delay time between the fast and slow split shear waves (δt) via SKS splitting can help place spatial and temporal constraints on lithospheric deformation. The Canadian Appalachians experienced multiple episodes of deformation during the Phanerozoic: accretionary collisions during the Palaeozoic prior to the collision between Laurentia and Gondwana, and rifting related to the Mesozoic opening of the North Atlantic. However, the extent to which extensional events have overprinted older orogenic trends is uncertain. We address this issue through measurements of seismic anisotropy beneath the Canadian Appalachians, computing shear wave splitting parameters (ϕ, δt) for new and existing seismic stations in Nova Scotia and New Brunswick. Average δt values of 1.2 s, relatively short length scale (≥100 km) splitting parameter variations, and a lack of correlation with absolute plate motion direction and mantle flow models, demonstrate that fossil lithospheric anisotropic fabrics dominate our results. Most fast directions parallel Appalachian orogenic trends observed at the surface, while δt values point towards coherent deformation of the crust and mantle lithosphere. Mesozoic rifting had minimal impact on our study area, except locally within the Bay of Fundy and in southern Nova Scotia, where fast directions are subparallel to the opening direction of Mesozoic rifting; associated δt values of >1 s require an anisotropic layer that spans both the crust and mantle, meaning the formation of the Bay of Fundy was not merely a thin-skinned tectonic event.

Research on Spectroscopy, Opacity, and Atmospheres

NASA Astrophysics Data System (ADS)

Kurucz, Robert L.

1996-01-01

The main accomplishment was the merging of all the atomic line data into one wavelength-sorted list that is simple to use. We have combined all the atomic files from a CDROM into 534,910 line files GFALL.DAT and GFELEN.DAT. These are the data we use to compute spectra. They are not up to date. References are given in GFALL.REF or GFELEK.REF. There are no references after 1988, and for light elements there are no references after 1979. One new development is the inclusion of hyperfine splitting for the iron group elements using hyperfine data from the literature through 1993. The data are very incomplete. We have supplied a program for splitting the line list for a species. It reads the hyperfine and isotopic splitting parameters for levels and computes the splittings whenever those levels appear. Lines with no splitting data are copied untouched. Because Sc, Mn, and Co are monoisotopic, only the hyperfine splittings are needed. Since 51V is much more abundant than 50V, the isotope shifts are small for 51V, and we approximate V with 51V. GFALLHYP.DAT has 754,946 lines including hyperfine Sc I, V I, Mn I, and Co I.

Kondo peak splitting and Kondo dip in single molecular magnet junctions

NASA Astrophysics Data System (ADS)

Niu, Pengbin; Shi, Yunlong; Sun, Zhu; Nie, Yi-Hang; Luo, Hong-Gang

2016-01-01

Many factors containing bias, spin-orbit coupling, magnetic fields applied, and so on can strongly influence the Kondo effect, and one of the consequences is Kondo peak splitting (KPS). It is natural that KPS should also appear when another spin degree of freedom is involved. In this work we study the KPS effects of single molecular magnets (SMM) coupled with two metallic leads in low-temperature regime. It is found that the Kondo transport properties are strongly influenced by the exchange coupling and anisotropy of the magnetic core. By employing Green's function method in Hubbard operator representation, we give an analytical expression for local retarded Green's function of SMM and discussed its low-temperature transport properties. We find that the anisotropy term behaves as a magnetic field and the splitting behavior of exchange coupling is quite similar to the spin-orbit coupling. These splitting behaviors are explained by introducing inter-level or intra-level transitions, which account for the seven-peak splitting structure. Moreover, we find a Kondo dip at Fermi level under proper parameters. These Kondo peak splitting behaviors in SMM deepen our understanding to Kondo physics and should be observed in the future experiments.

Analysis and modeling of wafer-level process variability in 28 nm FD-SOI using split C-V measurements

NASA Astrophysics Data System (ADS)

Pradeep, Krishna; Poiroux, Thierry; Scheer, Patrick; Juge, André; Gouget, Gilles; Ghibaudo, Gérard

2018-07-01

This work details the analysis of wafer level global process variability in 28 nm FD-SOI using split C-V measurements. The proposed approach initially evaluates the native on wafer process variability using efficient extraction methods on split C-V measurements. The on-wafer threshold voltage (VT) variability is first studied and modeled using a simple analytical model. Then, a statistical model based on the Leti-UTSOI compact model is proposed to describe the total C-V variability in different bias conditions. This statistical model is finally used to study the contribution of each process parameter to the total C-V variability.

Design of single-polarization wavelength splitter based on photonic crystal fiber.

PubMed

Zhang, Shanshan; Zhang, Weigang; Geng, Pengcheng; Li, Xiaolan; Ruan, Juan

2011-12-20

A new single-polarization wavelength splitter based on the photonic crystal fiber (PCF) has been proposed. The full-vector finite-element method (FEM) is applied to analyze the single-polarization single-mode guiding properties. Splitting of two different wavelengths is realized by adjusting the structural parameters. The semi-vector three-dimensional beam propagation method is employed to confirm the wavelength splitting characteristics of the PCF. Numerical simulations show that the wavelengths of 1.3 μm and 1.55 μm are split for a fiber length of 10.7 mm with single-polarization guiding in each core. The crosstalk between the two cores is low over appreciable optical bandwidths.

Corruption of accuracy and efficiency of Markov chain Monte Carlo simulation by inaccurate numerical implementation of conceptual hydrologic models

NASA Astrophysics Data System (ADS)

Schoups, G.; Vrugt, J. A.; Fenicia, F.; van de Giesen, N. C.

2010-10-01

Conceptual rainfall-runoff models have traditionally been applied without paying much attention to numerical errors induced by temporal integration of water balance dynamics. Reliance on first-order, explicit, fixed-step integration methods leads to computationally cheap simulation models that are easy to implement. Computational speed is especially desirable for estimating parameter and predictive uncertainty using Markov chain Monte Carlo (MCMC) methods. Confirming earlier work of Kavetski et al. (2003), we show here that the computational speed of first-order, explicit, fixed-step integration methods comes at a cost: for a case study with a spatially lumped conceptual rainfall-runoff model, it introduces artificial bimodality in the marginal posterior parameter distributions, which is not present in numerically accurate implementations of the same model. The resulting effects on MCMC simulation include (1) inconsistent estimates of posterior parameter and predictive distributions, (2) poor performance and slow convergence of the MCMC algorithm, and (3) unreliable convergence diagnosis using the Gelman-Rubin statistic. We studied several alternative numerical implementations to remedy these problems, including various adaptive-step finite difference schemes and an operator splitting method. Our results show that adaptive-step, second-order methods, based on either explicit finite differencing or operator splitting with analytical integration, provide the best alternative for accurate and efficient MCMC simulation. Fixed-step or adaptive-step implicit methods may also be used for increased accuracy, but they cannot match the efficiency of adaptive-step explicit finite differencing or operator splitting. Of the latter two, explicit finite differencing is more generally applicable and is preferred if the individual hydrologic flux laws cannot be integrated analytically, as the splitting method then loses its advantage.

Quasi-Dirac neutrino oscillations

NASA Astrophysics Data System (ADS)

Anamiati, Gaetana; Fonseca, Renato M.; Hirsch, Martin

2018-05-01

Dirac neutrino masses require two distinct neutral Weyl spinors per generation, with a special arrangement of masses and interactions with charged leptons. Once this arrangement is perturbed, lepton number is no longer conserved and neutrinos become Majorana particles. If these lepton number violating perturbations are small compared to the Dirac mass terms, neutrinos are quasi-Dirac particles. Alternatively, this scenario can be characterized by the existence of pairs of neutrinos with almost degenerate masses, and a lepton mixing matrix which has 12 angles and 12 phases. In this work we discuss the phenomenology of quasi-Dirac neutrino oscillations and derive limits on the relevant parameter space from various experiments. In one parameter perturbations of the Dirac limit, very stringent bounds can be derived on the mass splittings between the almost degenerate pairs of neutrinos. However, we also demonstrate that with suitable changes to the lepton mixing matrix, limits on such mass splittings are much weaker, or even completely absent. Finally, we consider the possibility that the mass splittings are too small to be measured and discuss bounds on the new, nonstandard lepton mixing angles from current experiments for this case.

Optimization of operating parameters for gas-phase photocatalytic splitting of H2S by novel vermiculate packed tubular reactor.

PubMed

Preethi, V; Kanmani, S

2016-10-01

Hydrogen production by gas-phase photocatalytic splitting of Hydrogen Sulphide (H2S) was investigated on four semiconductor photocatalysts including CuGa1.6Fe0.4O2, ZnFe2O3, (CdS + ZnS)/Fe2O3 and Ce/TiO2. The CdS and ZnS coated core shell particles (CdS + ZnS)/Fe2O3 shows the highest rate of hydrogen (H2) production under optimized conditions. Packed bed tubular reactor was used to study the performance of prepared photocatalysts. Selection of the best packing material is a key for maximum removal efficiency. Cheap, lightweight and easily adsorbing vermiculate materials were used as a novel packing material and were found to be effective in splitting H2S. Effect of various operating parameters like flow rate, sulphide concentration, catalyst dosage, light irradiation were tested and optimized for maximum H2 conversion of 92% from industrial waste H2S. Copyright © 2016 Elsevier Ltd. All rights reserved.

Discrete breathers for a discrete nonlinear Schrödinger ring coupled to a central site.

PubMed

Jason, Peter; Johansson, Magnus

2016-01-01

We examine the existence and properties of certain discrete breathers for a discrete nonlinear Schrödinger model where all but one site are placed in a ring and coupled to the additional central site. The discrete breathers we focus on are stationary solutions mainly localized on one or a few of the ring sites and possibly also the central site. By numerical methods, we trace out and study the continuous families the discrete breathers belong to. Our main result is the discovery of a split bifurcation at a critical value of the coupling between neighboring ring sites. Below this critical value, families form closed loops in a certain parameter space, implying that discrete breathers with and without central-site occupation belong to the same family. Above the split bifurcation the families split up into several separate ones, which bifurcate with solutions with constant ring amplitudes. For symmetry reasons, the families have different properties below the split bifurcation for even and odd numbers of sites. It is also determined under which conditions the discrete breathers are linearly stable. The dynamics of some simpler initial conditions that approximate the discrete breathers are also studied and the parameter regimes where the dynamics remain localized close to the initially excited ring site are related to the linear stability of the exact discrete breathers.

Novel Histogram Based Unsupervised Classification Technique to Determine Natural Classes From Biophysically Relevant Fit Parameters to Hyperspectral Data

DOE PAGES

McCann, Cooper; Repasky, Kevin S.; Morin, Mikindra; ...

2017-05-23

Hyperspectral image analysis has benefited from an array of methods that take advantage of the increased spectral depth compared to multispectral sensors; however, the focus of these developments has been on supervised classification methods. Lack of a priori knowledge regarding land cover characteristics can make unsupervised classification methods preferable under certain circumstances. An unsupervised classification technique is presented in this paper that utilizes physically relevant basis functions to model the reflectance spectra. These fit parameters used to generate the basis functions allow clustering based on spectral characteristics rather than spectral channels and provide both noise and data reduction. Histogram splittingmore » of the fit parameters is then used as a means of producing an unsupervised classification. Unlike current unsupervised classification techniques that rely primarily on Euclidian distance measures to determine similarity, the unsupervised classification technique uses the natural splitting of the fit parameters associated with the basis functions creating clusters that are similar in terms of physical parameters. The data set used in this work utilizes the publicly available data collected at Indian Pines, Indiana. This data set provides reference data allowing for comparisons of the efficacy of different unsupervised data analysis. The unsupervised histogram splitting technique presented in this paper is shown to be better than the standard unsupervised ISODATA clustering technique with an overall accuracy of 34.3/19.0% before merging and 40.9/39.2% after merging. Finally, this improvement is also seen as an improvement of kappa before/after merging of 24.8/30.5 for the histogram splitting technique compared to 15.8/28.5 for ISODATA.« less

Novel Histogram Based Unsupervised Classification Technique to Determine Natural Classes From Biophysically Relevant Fit Parameters to Hyperspectral Data

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

McCann, Cooper; Repasky, Kevin S.; Morin, Mikindra

Hyperspectral image analysis has benefited from an array of methods that take advantage of the increased spectral depth compared to multispectral sensors; however, the focus of these developments has been on supervised classification methods. Lack of a priori knowledge regarding land cover characteristics can make unsupervised classification methods preferable under certain circumstances. An unsupervised classification technique is presented in this paper that utilizes physically relevant basis functions to model the reflectance spectra. These fit parameters used to generate the basis functions allow clustering based on spectral characteristics rather than spectral channels and provide both noise and data reduction. Histogram splittingmore » of the fit parameters is then used as a means of producing an unsupervised classification. Unlike current unsupervised classification techniques that rely primarily on Euclidian distance measures to determine similarity, the unsupervised classification technique uses the natural splitting of the fit parameters associated with the basis functions creating clusters that are similar in terms of physical parameters. The data set used in this work utilizes the publicly available data collected at Indian Pines, Indiana. This data set provides reference data allowing for comparisons of the efficacy of different unsupervised data analysis. The unsupervised histogram splitting technique presented in this paper is shown to be better than the standard unsupervised ISODATA clustering technique with an overall accuracy of 34.3/19.0% before merging and 40.9/39.2% after merging. Finally, this improvement is also seen as an improvement of kappa before/after merging of 24.8/30.5 for the histogram splitting technique compared to 15.8/28.5 for ISODATA.« less

Local Upper Mantle Upwelling beneath New England: Evidence from Seismic Anisotropy.

NASA Astrophysics Data System (ADS)

Levin, V. L.; Long, M. D.; Lopez, I.; Li, Y.; Skryzalin, P. A.

2017-12-01

The upper mantle beneath eastern North America contains regions where seismic wave speed is significantly reduced. As they cut across the trend of the Appalachian terranes, these anomalies likely post-date the Paleozoic assembly of Pangea. Most prominent of them, the North Appalachian Anomaly (NAA), has been alternatively explained by the localized disruption of lithospheric fabric, the passage of the Great Meteor Hot Spot, and the current local upwelling of the asthenosphere. Comprehensive mapping of shear wave splitting identified a local perturbation of an otherwise uniform regional pattern, with no apparent splitting occurring at a site within the NAA. To evaluate the reality of this apparent localized disruption in the anisotropic fabric of the upper mantle beneath northeastern North America we used observations of shear wave splitting from a set of long-running observatories not included in previous studies. Three methods of evaluating shear wave splitting (rotation-correlation, minimization of the transverse component, and the splitting intensity) yield complementary results. We show that splitting of core-refracted shear waves within the outline of the NAA is significantly weaker than towards its edges and beyond them (Figure 1). Average fast orientations are close to the absolute plate motion in the hot-spot reference frame, thus we can attribute a large fraction of this signal to the coherently sheared sub-lithospheric upper mantle. A decrease in average delay we observe, from 1 s outside the NAA to under 0.2 s within it, translates into a reduction of the vertical extent of the sheared layer from 130 km to 16 km (assuming 4% anisotropy), or alternatively into a weakening of the azimuthal anisotropy from 5% to 0.6% (assuming a 100 km thick layer). The splitting reduction within the NAA is consistent with a localized change in anisotropic fabric that would be expected in case of geologically recent sub-vertical flow overprinting the broadly uniform upper mantle fabric detected throughout the region. Figure 1. Splitting intensity (red circles) plotted over best-fitting sinusoidal functions (blue, parameters in upper right) and predictions based on average delays and fast polarizations (green, parameters in upper left). Outlines of the NAA at 200 km depth from tomographic studies using Earthscope data.

Two-loop mass splittings in electroweak multiplets: Winos and minimal dark matter

NASA Astrophysics Data System (ADS)

McKay, James; Scott, Pat

2018-03-01

The radiatively-induced splitting of masses in electroweak multiplets is relevant for both collider phenomenology and dark matter. Precision two-loop corrections of O (MeV ) to the triplet mass splitting in the wino limit of the minimal supersymmetric standard model can affect particle lifetimes by up to 40%. We improve on previous two-loop self-energy calculations for the wino model by obtaining consistent input parameters to the calculation via two-loop renormalization-group running, and including the effect of finite light quark masses. We also present the first two-loop calculation of the mass splitting in an electroweak fermionic quintuplet, corresponding to the viable form of minimal dark matter (MDM). We place significant constraints on the lifetimes of the charged and doubly-charged fermions in this model. We find that the two-loop mass splittings in the MDM quintuplet are not constant in the large-mass limit, as might naively be expected from the triplet calculation. This is due to the influence of the additional heavy fermions in loop corrections to the gauge boson propagators.

Continuous state-space representation of a bucket-type rainfall-runoff model: a case study with the GR4 model using state-space GR4 (version 1.0)

NASA Astrophysics Data System (ADS)

Santos, Léonard; Thirel, Guillaume; Perrin, Charles

2018-04-01

In many conceptual rainfall-runoff models, the water balance differential equations are not explicitly formulated. These differential equations are solved sequentially by splitting the equations into terms that can be solved analytically with a technique called operator splitting. As a result, only the solutions of the split equations are used to present the different models. This article provides a methodology to make the governing water balance equations of a bucket-type rainfall-runoff model explicit and to solve them continuously. This is done by setting up a comprehensive state-space representation of the model. By representing it in this way, the operator splitting, which makes the structural analysis of the model more complex, could be removed. In this state-space representation, the lag functions (unit hydrographs), which are frequent in rainfall-runoff models and make the resolution of the representation difficult, are first replaced by a so-called Nash cascade and then solved with a robust numerical integration technique. To illustrate this methodology, the GR4J model is taken as an example. The substitution of the unit hydrographs with a Nash cascade, even if it modifies the model behaviour when solved using operator splitting, does not modify it when the state-space representation is solved using an implicit integration technique. Indeed, the flow time series simulated by the new representation of the model are very similar to those simulated by the classic model. The use of a robust numerical technique that approximates a continuous-time model also improves the lag parameter consistency across time steps and provides a more time-consistent model with time-independent parameters.

Slab anisotropy from subduction zone guided waves in Taiwan

NASA Astrophysics Data System (ADS)

Chen, K. H.; Tseng, Y. L.; Hu, J. C.

2014-12-01

Frozen-in anisotropic structure in the oceanic lithosphere and faulting/hydration in the upper layer of the slab are expected to play an important role in anisotropic signature of the subducted slab. Over the past several decades, despite the advances in characterizing anisotropy using shear wave splitting method and its developments, the character of slab anisotropy remains poorly understood. In this study we investigate the slab anisotropy using subduction zone guided waves characterized by long path length in the slab. In the southernmost Ryukyu subduction zone, seismic waves from events deeper than 100 km offshore northern Taiwan reveal wave guide behavior: (1) a low-frequency (< 1 Hz) first arrival recognized on vertical and radial components but not transverse component (2) large, sustained high-frequency (3-10 Hz) signal in P and S wave trains. The depth dependent high-frequency content (3-10Hz) confirms the association with a waveguide effect in the subducting slab rather than localized site amplification effects. Using the selected subduction zone guided wave events, we further analyzed the shear wave splitting for intermediate-depth earthquakes in different frequency bands, to provide the statistically meaningful shear wave splitting parameters. We determine shear wave splitting parameters from the 34 PSP guided events that are deeper than 100 km with ray path traveling along the subducted slab. From shear wave splitting analysis, the slab and crust effects reveal consistent polarization pattern of fast directions of EN-WS and delay time of 0.13 - 0.27 sec. This implies that slab anisotropy is stronger than the crust effect (<0.1 s) but weaker than the mantle wedge and sub-slab mantle effect (0.3-1.3 s) in Taiwan.

Conformational Characteristics of Poly(tetrafluoroethylene) (PTFE) Based Upon Ab Initio Electronic Structure Calculations on Model Molecules

NASA Technical Reports Server (NTRS)

Smith, Grant D.; Jaffe, R. L.; Yoon, D. Y.; Arnold, James O. (Technical Monitor)

1994-01-01

Conformational energy contours of perfluoroalkanes, determined from ab initio calculations, confirm the well-known spitting of trans states into two minima at plus or minus 17 degrees but also show that the gauche states split as well, with minima at plus or minus 124 degrees and plus or minus 84 in order to relieve steric crowding. The directions of such split distortions from the perfectly staggered states are strongly coupled for adjacent pairs of bonds in a manner identical to the intradyad pair for poly (isobutylene) chains. These conformational characteristics are fully represented by a six-state rotational isomeric state (RIS) model for PTFE comprised of t(+), t(-), g(sup +)+, g(sup +)-, g(sup -) + and g(sup -)-states, located at the split energy minima. The resultant 6 x 6 statistical weight matrix is described by first-order interaction parameters for the g+(+) (ca. 0.6 kcal/mol) and g+- (ca. 2.0 kcal/mol) states, and second order parameters for the g(sup +)+g(sup +)+ (ca 0.6 kcal/mol) and g(sup +)+g(sup -)+ (ca. 1.0 kcal/mol) states. This six-state RIS model, without adjustment of the geometric or energy parameters as determined from the ab initio calculations, predicts the unperturbed chain dimensions and the fraction of gauche bonds as a function of temperature for PTFE in good agreement with available experimental values.

Roller-transducer scanning of wooden pallet parts for defect detection

Treesearch

Mohammed F. Kabir; Daniel L. Schmoldt; Mark E. Schafer

2001-01-01

Ultrasonic scanning experiments were conducted on two species of pallet deckboards using rolling transducers in a pitch-catch arrangement. Sound and unsound knots, cross grain, bark pockets, holes, splits, decay, and wane were characterized using several ultrasound parameters. Almost all parameters displayed sensitivity to defects distinctly from clear wood regions—...

Laser induced fluorescence of BaS: Sm phosphor and energy level splitting of Sm 3+ ion

NASA Astrophysics Data System (ADS)

Thomas, Reethamma; Nampoori, V. P. N.

1990-03-01

Fluorescence of BaS: Sm phosphor has been studied using a pulsed Nitrogen laser (337.1 nm) as the excitation source. The spectrum consists of a broad band in the region 540-660nm superposed by the characteristic Sm 3+ lines. Energy level splitting pattern of Sm 3+ due to crystal field effects has been calculated and relevent field parameters are evaluated. Analysis shows that Sm 3+ takes up Ba 2+ substitutional sites.

International Conference on Quantum Chemical Calculations of NMR and EPR Parameters Held in Castle Smolenice, Slovak Republic on September 14-18 1998

DTIC Science & Technology

1998-10-21

site. The electric-field- induced linear shift is also observed in the hyperfine splitting of nuclear quadrupole resonance ( NQR ) spectrum of a nucleus...located at a noncentrosymmetric site in a molecule or in crystal lattice. Thus, the linear electric field effect on the ESR and NQR hyperfine splitting...the electric field effects on ESR and NQR hyperfine couplings. Theoretical methods to calculate the electric field effects within Hartree-Fock

Experimental Study of Split-Path Transmission Load Sharing

NASA Technical Reports Server (NTRS)

Krantz, Timothy L.; Delgado, Irebert R.

1996-01-01

Split-path transmissions are promising, attractive alternatives to the common planetary transmissions for helicopters. The split-path design offers two parallel paths for transmitting torque from the engine to the rotor. Ideally, the transmitted torque is shared equally between the two load paths; however, because of manufacturing tolerances, the design must be sized to allow for other than equal load sharing. To study the effect of tolerances, experiments were conducted using the NASA split-path test gearbox. Two gearboxes, nominally identical except for manufacturing tolerances, were tested. The clocking angle was considered to be a design parameter and used to adjust the load sharing of an otherwise fixed design. The torque carried in each path was measured for a matrix of input torques and clocking angles. The data were used to determine the optimal value and a tolerance for the clocking angles such that the most heavily loaded split path carried no greater than 53 percent of an input shaft torque of 367 N-m. The range of clocking angles satisfying this condition was -0.0012 +/- 0.0007 rad for box 1 and -0.0023 +/- 0.0009 rad for box 2. This study indicates that split-path gearboxes can be used successfully in rotorcraft and can be manufactured with existing technology.

Direct reconstruction of pharmacokinetic parameters in dynamic fluorescence molecular tomography by the augmented Lagrangian method

NASA Astrophysics Data System (ADS)

Zhu, Dianwen; Zhang, Wei; Zhao, Yue; Li, Changqing

2016-03-01

Dynamic fluorescence molecular tomography (FMT) has the potential to quantify physiological or biochemical information, known as pharmacokinetic parameters, which are important for cancer detection, drug development and delivery etc. To image those parameters, there are indirect methods, which are easier to implement but tend to provide images with low signal-to-noise ratio, and direct methods, which model all the measurement noises together and are statistically more efficient. The direct reconstruction methods in dynamic FMT have attracted a lot of attention recently. However, the coupling of tomographic image reconstruction and nonlinearity of kinetic parameter estimation due to the compartment modeling has imposed a huge computational burden to the direct reconstruction of the kinetic parameters. In this paper, we propose to take advantage of both the direct and indirect reconstruction ideas through a variable splitting strategy under the augmented Lagrangian framework. Each iteration of the direct reconstruction is split into two steps: the dynamic FMT image reconstruction and the node-wise nonlinear least squares fitting of the pharmacokinetic parameter images. Through numerical simulation studies, we have found that the proposed algorithm can achieve good reconstruction results within a small amount of time. This will be the first step for a combined dynamic PET and FMT imaging in the future.

The prokaryotic zinc-finger: structure, function and comparison with the eukaryotic counterpart.

PubMed

Malgieri, Gaetano; Palmieri, Maddalena; Russo, Luigi; Fattorusso, Roberto; Pedone, Paolo V; Isernia, Carla

2015-12-01

Classical zinc finger (ZF) domains were thought to be confined to the eukaryotic kingdom until the transcriptional regulator Ros protein was identified in Agrobacterium tumefaciens. The Ros Cys2 His2 ZF binds DNA in a peculiar mode and folds in a domain significantly larger than its eukaryotic counterpart consisting of 58 amino acids (the 9-66 region) arranged in a βββαα topology, and stabilized by a conserved, extensive, 15-residue hydrophobic core. The prokaryotic ZF domain, then, shows some intriguing new features that make it interestingly different from its eukaryotic counterpart. This review will focus on the prokaryotic ZFs, summarizing and discussing differences and analogies with the eukaryotic domains and providing important insights into their structure/function relationships. © 2015 FEBS.

Seismic anisotropy and subduction-induced mantle fabrics beneath the Arabian and Nubian Plates adjacent to the Red Sea

NASA Astrophysics Data System (ADS)

Elsheikh, Ahmed A.; Gao, Stephen S.; Liu, Kelly H.; Mohamed, Abdelnasser A.; Yu, Youqiang; Fat-Helbary, Raafat E.

2014-04-01

For most continental areas, the mechanisms leading to mantle fabrics responsible for the observed anisotropy remain ambiguous, partially due to the lack of sufficient spatial coverage of reliable seismological observations. Here we report the first joint analysis of shear-wave splitting measurements obtained at stations on the Arabian and Nubian Plates adjacent to the Red Sea. More than 1100 pairs of high-quality splitting parameters show dominantly N-S fast orientations at all 47 stations and larger-than-normal splitting times beneath the Afro-Arabian Dome (AAD). The uniformly N-S fast orientations and large splitting times up to 1.5 s are inconsistent with significant contributions from the lithosphere, which is about 50-80 km thick beneath the AAD and even thinner beneath the Red Sea. The results can best be explained by simple shear between the lithosphere and the asthenosphere associated with northward subduction of the African/Arabian Plates over the past 150 Ma.

Dynamics of a split torque helicopter transmission

NASA Technical Reports Server (NTRS)

Rashidi, Majid; Krantz, Timothy

1992-01-01

A high reduction ratio split torque gear train has been proposed as an alternative to a planetary configuration for the final stage of a helicopter transmission. A split torque design allows a high ratio of power-to-weight for the transmission. The design studied in this work includes a pivoting beam that acts to balance thrust loads produced by the helical gear meshes in each of two parallel power paths. When the thrust loads are balanced, the torque is split evenly. A mathematical model was developed to study the dynamics of the system. The effects of time varying gear mesh stiffness, static transmission errors, and flexible bearing supports are included in the model. The model was demonstrated with a test case. Results show that although the gearbox has a symmetric configuration, the simulated dynamic behavior of the first and second compound gears are not the same. Also, results show that shaft location and mesh stiffness tuning are significant design parameters that influence the motions of the system.

SplitRacer - a new Semi-Automatic Tool to Quantify And Interpret Teleseismic Shear-Wave Splitting

NASA Astrophysics Data System (ADS)

Reiss, M. C.; Rumpker, G.

2017-12-01

We have developed a semi-automatic, MATLAB-based GUI to combine standard seismological tasks such as the analysis and interpretation of teleseismic shear-wave splitting. Shear-wave splitting analysis is widely used to infer seismic anisotropy, which can be interpreted in terms of lattice-preferred orientation of mantle minerals, shape-preferred orientation caused by fluid-filled cracks or alternating layers. Seismic anisotropy provides a unique link between directly observable surface structures and the more elusive dynamic processes in the mantle below. Thus, resolving the seismic anisotropy of the lithosphere/asthenosphere is of particular importance for geodynamic modeling and interpretations. The increasing number of seismic stations from temporary experiments and permanent installations creates a new basis for comprehensive studies of seismic anisotropy world-wide. However, the increasingly large data sets pose new challenges for the rapid and reliably analysis of teleseismic waveforms and for the interpretation of the measurements. Well-established routines and programs are available but are often impractical for analyzing large data sets from hundreds of stations. Additionally, shear wave splitting results are seldom evaluated using the same well-defined quality criteria which may complicate comparison with results from different studies. SplitRacer has been designed to overcome these challenges by incorporation of the following processing steps: i) downloading of waveform data from multiple stations in mseed-format using FDSNWS tools; ii) automated initial screening and categorizing of XKS-waveforms using a pre-set SNR-threshold; iii) particle-motion analysis of selected phases at longer periods to detect and correct for sensor misalignment; iv) splitting analysis of selected phases based on transverse-energy minimization for multiple, randomly-selected, relevant time windows; v) one and two-layer joint-splitting analysis for all phases at one station by simultaneously minimizing their transverse energy - this includes the analysis of null measurements. vi) comparison of results with theoretical splitting parameters determined for one, two, or continuously-varying anisotropic layer(s). Examples for the application of SplitRacer will be presented.

Actual and Idealized Crystal Field Parameterizations for the Uranium Ions in UF 4

NASA Astrophysics Data System (ADS)

Gajek, Z.; Mulak, J.; Krupa, J. C.

1993-12-01

The crystal field parameters for the actual coordination symmetries of the uranium ions in UF 4, C2 and C1, and for their idealizations to D2, C2 v , D4, D4 d , and the Archimedean antiprism point symmetries are given. They have been calculated by means of both the perturbative ab initio model and the angular overlap model and are referenced to the recent results fitted by Carnall's group. The equivalency of some different sets of parameters has been verified with the standardization procedure. The adequacy of several idealized approaches has been tested by comparison of the corresponding splitting patterns of the 3H 4 ground state. Our results support the parameterization given by Carnall. Furthermore, the parameterization of the crystal field potential and the splitting diagram for the symmetryless uranium ion U( C1) are given. Having at our disposal the crystal field splittings for the two kinds of uranium ions in UF 4, U( C2) and U( C1), we calculate the model plots of the paramagnetic susceptibility χ( T) and the magnetic entropy associated with the Schottky anomaly Δ S( T) for UF 4.

Complete kinetic mechanism for recycling of the bacterial ribosome

PubMed Central

Borg, Anneli; Pavlov, Michael

2016-01-01

How EF-G and RRF act together to split a post-termination ribosomal complex into its subunits has remained obscure. Here, using stopped-flow experiments with Rayleigh light scattering detection and quench-flow experiments with radio-detection of GTP hydrolysis, we have clarified the kinetic mechanism of ribosome recycling and obtained precise estimates of its kinetic parameters. Ribosome splitting requires that EF-G binds to an already RRF-containing ribosome. EF-G binding to RRF-free ribosomes induces futile rounds of GTP hydrolysis and inhibits ribosome splitting, implying that while RRF is purely an activator of recycling, EF-G acts as both activator and competitive inhibitor of RRF in recycling of the post-termination ribosome. The ribosome splitting rate and the number of GTPs consumed per splitting event depend strongly on the free concentrations of EF-G and RRF. The maximal recycling rate, here estimated as 25 sec−1, is approached at very high concentrations of EF-G and RRF with RRF in high excess over EF-G. The present in vitro results, suggesting an in vivo ribosome recycling rate of ∼5 sec−1, are discussed in the perspective of rapidly growing bacterial cells. PMID:26527791

Modelling nonlinearity in superconducting split ring resonator and its effects on metamaterial structures

NASA Astrophysics Data System (ADS)

Mazdouri, Behnam; Mohammad Hassan Javadzadeh, S.

2017-09-01

Superconducting materials are intrinsically nonlinear, because of nonlinear Meissner effect (NLME). Considering nonlinear behaviors, such as harmonic generation and intermodulation distortion (IMD) in superconducting structures, are very important. In this paper, we proposed distributed nonlinear circuit model for superconducting split ring resonators (SSRRs). This model can be analyzed by using Harmonic Balance method (HB) as a nonlinear solver. Thereafter, we considered a superconducting metamaterial filter which was based on split ring resonators and we calculated fundamental and third-order IMD signals. There are good agreement between nonlinear results from proposed model and measured ones. Additionally, based on the proposed nonlinear model and by using a novel method, we considered nonlinear effects on main parameters in the superconducting metamaterial structures such as phase constant (β) and attenuation factor (α).

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

Dernotte, Jeremie; Dec, John E.; Ji, Chunsheng

A detailed understanding of the various factors affecting the trends in gross-indicated thermal efficiency with changes in key operating parameters has been carried out, applied to a one-liter displacement single-cylinder boosted Low-Temperature Gasoline Combustion (LTGC) engine. This work systematically investigates how the supplied fuel energy splits into the following four energy pathways: gross-indicated thermal efficiency, combustion inefficiency, heat transfer and exhaust losses, and how this split changes with operating conditions. Additional analysis is performed to determine the influence of variations in the ratio of specific heat capacities (γ) and the effective expansion ratio, related to the combustion-phasing retard (CA50), onmore » the energy split. Heat transfer and exhaust losses are computed using multiple standard cycle analysis techniques. Furthermore, the various methods are evaluated in order to validate the trends.« less

Optical splitter design for telecommunication access networks with triple-play services

NASA Astrophysics Data System (ADS)

Agalliu, Rajdi; Burtscher, Catalina; Lucki, Michal; Seyringer, Dana

2018-01-01

In this paper, we present various designs of optical splitters for access networks, such as GPON and XG-PON by ITU-T with triple-play services (ie data, voice and video). The presented designs exhibit a step forward, compared to the solutions recommended by the ITU, in terms of performance in transmission systems using WDM. The quality of performance is represented by the bit error rate and the Q-factor. Besides the standard splitter design, we propose a new length-optimized splitter design with a smaller waveguide core, providing some reduction of non-uniformity of the power split between the output waveguides. The achieved splitting parameters are incorporated in the simulations of passive optical networks. For this purpose, the OptSim tool employing Time Domain Split Step method was used.

Upper Mantle Seismic Anisotropy Beneath West Antarctica from Shear Wave Splitting Analysis of POLENET/ANET Data

NASA Astrophysics Data System (ADS)

Accardo, N.; Wiens, D. A.; Hernandez, S.; Aster, R. C.; Nyblade, A.; Anandakrishnan, S.; Huerta, A. D.; Wilson, T. J.

2011-12-01

We constrain azimuthal anisotropy in the Antarctic upper mantle using shear wave splitting parameters obtained from teleseismic SKS, SKKS, and PKS phases recorded at 30 broad-band seismometers deployed in West Antarctica, and the Transantarctic Mountains as a part of POLENET/ANET. The first seismometers were deployed in late 2007 and additional seismometers were deployed in 2008 and 2009. The seismometers generally operate year-round using solar power, insulated boxes, and either rechargeable AGM or primary lithium batteries. We used an eigenvalue technique to linearize the rotated and shifted shear wave particle motions and determine the best splitting parameters. Robust windows around the individual phases were chosen using the Teanby cluster-analysis algorithm. We visually inspected all results and assigned a quality rating based on factors including signal-to-noise ratios, particle motions, and error contours. The best results for each station were then stacked to get an average splitting direction and delay time. The delay times range from 0.33 to 1.33 s, but generally average about 1 s. We conclude that the splitting results from anisotropy in the upper mantle, since the large splitting times cannot be accumulated in the relatively thin crust (20-30 km) of the region. Overall, fast directions in West Antarctica are at large angles to the direction of Antarctic absolute plate motion in either hotspot or no-net rotation frameworks, showing that the anisotropic fabric does not result from shear associated with the motion of Antarctica over the mantle. The West Antarctic fast directions are also much different than those found in East Antarctica by previous studies. We suggest that the East Antarctic splitting results from anisotropy frozen into the cold cratonic continental lithosphere, whereas West Antarctic splitting is related to Cenozoic tectonism. Stations within the West Antarctic Rift System (WARS), a region of Cenozoic extension, show fast directions subparallel to the inferred WARS extension direction. Stations located in the Ellsworth-Whitmore Mountains (EWM) show fast directions parallel to those found within WARS. Furthermore, results from WARS and from EWM all show relatively large splitting times of 0.6 - 1.33 s. These results suggest upper mantle anisotropy that results from mantle flow and deformation related to the extensional deformation of the region. Two stations were installed in the Pensacola Mountains which are located grid-north of the EWM. The results from this region deviate from the dominant fast orientation seen in WARS but appear to be approximately perpendicular to the strike of the mountain range. Stations in Marie Byrd Land (MBL) show inconsistent fast directions and a wide range of delay times (0.3 - 0.9 s), perhaps as a result of complex mantle fabric related to a possible MBL hotspot.

Electronic spectrum of trilayer graphene

NASA Astrophysics Data System (ADS)

Kumar, S.; Ajay

2014-08-01

Present work deals with the analysis of the single particle electronic spectral function in trilayer (ABC-, ABA- and AAA-stacked) graphene. Tight binding Hamiltonian containing intralayer nearest-neighbor and next-nearest neighbor hopping along-with the interlayer coupling parameter within two triangular sub-lattice approach for trilayer graphene has been employed. The expression of single particle spectral functions A(kw) is obtained within mean-field Green's function equations of motion approach. Spectral function at Γ, M and K points of the Brillouin zone has been numerically computed. It is pointed out that the nature of electronic states at different points of Brillouin zone is found to be influenced by stacking order and Coulomb interactions. At Γ and M points, a trilayer splitting is predicted while at K point a bilayer splitting effect is observed due to crossing of two bands (at K point). Interlayer coupling ( t_{ bot } ) is found to be responsible for the splitting of quasi-particle peaks at each point of Brillouin zone. The influence of t_{ bot } in trilayer graphene is prominent for AAA-stacking compared to ABC- and ABA-stacking. On the other hand, onsite Coulomb interaction reduces the trilayer splitting effect into bilayer splitting at Γ and M points of Brillouin zone and bilayer splitting into single peak spectral function at K point with a shifting of the peak away from Fermi level.

Charge-coupled-device X-ray detector performance model

NASA Technical Reports Server (NTRS)

Bautz, M. W.; Berman, G. E.; Doty, J. P.; Ricker, G. R.

1987-01-01

A model that predicts the performance characteristics of CCD detectors being developed for use in X-ray imaging is presented. The model accounts for the interactions of both X-rays and charged particles with the CCD and simulates the transport and loss of charge in the detector. Predicted performance parameters include detective and net quantum efficiencies, split-event probability, and a parameter characterizing the effective thickness presented by the detector to cosmic-ray protons. The predicted performance of two CCDs of different epitaxial layer thicknesses is compared. The model predicts that in each device incomplete recovery of the charge liberated by a photon of energy between 0.1 and 10 keV is very likely to be accompanied by charge splitting between adjacent pixels. The implications of the model predictions for CCD data processing algorithms are briefly discussed.

Anatomy of exotic Higgs decays in 2HDM

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

Kling, Felix; No, Jose Miguel; Su, Shufang

Large mass splittings between new scalars in two-Higgs-doublet models (2HDM) open a key avenue to search for these new states via exotic heavy Higgs decays. We discuss in detail the different search channels for these new scalars at the LHC in the presence of a sizable mass splitting, i.e. a hierarchical 2HDM scenario, taking into account the theoretical and experimental constraints. Here, we provide benchmark planes to exploit the complementarity among these searches, analyzing their potential to probe the hierarchical 2HDM parameter space during LHC Run 2.

Anatomy of exotic Higgs decays in 2HDM

NASA Astrophysics Data System (ADS)

Kling, Felix; No, Jose Miguel; Su, Shufang

2016-09-01

Large mass splittings between new scalars in two-Higgs-doublet models (2HDM) open a key avenue to search for these new states via exotic heavy Higgs decays. We discuss in detail the different search channels for these new scalars at the LHC in the presence of a sizable mass splitting, i.e. a hierarchical 2HDM scenario, taking into account the theoretical and experimental constraints. We provide benchmark planes to exploit the complementarity among these searches, analyzing their potential to probe the hierarchical 2HDM parameter space during LHC Run 2.

Anatomy of exotic Higgs decays in 2HDM

DOE PAGES

Kling, Felix; No, Jose Miguel; Su, Shufang

2016-09-16

Large mass splittings between new scalars in two-Higgs-doublet models (2HDM) open a key avenue to search for these new states via exotic heavy Higgs decays. We discuss in detail the different search channels for these new scalars at the LHC in the presence of a sizable mass splitting, i.e. a hierarchical 2HDM scenario, taking into account the theoretical and experimental constraints. Here, we provide benchmark planes to exploit the complementarity among these searches, analyzing their potential to probe the hierarchical 2HDM parameter space during LHC Run 2.

Entropy Splitting and Numerical Dissipation

NASA Technical Reports Server (NTRS)

Yee, H. C.; Vinokur, M.; Djomehri, M. J.

1999-01-01

A rigorous stability estimate for arbitrary order of accuracy of spatial central difference schemes for initial-boundary value problems of nonlinear symmetrizable systems of hyperbolic conservation laws was established recently by Olsson and Oliger (1994) and Olsson (1995) and was applied to the two-dimensional compressible Euler equations for a perfect gas by Gerritsen and Olsson (1996) and Gerritsen (1996). The basic building block in developing the stability estimate is a generalized energy approach based on a special splitting of the flux derivative via a convex entropy function and certain homogeneous properties. Due to some of the unique properties of the compressible Euler equations for a perfect gas, the splitting resulted in the sum of a conservative portion and a non-conservative portion of the flux derivative. hereafter referred to as the "Entropy Splitting." There are several potential desirable attributes and side benefits of the entropy splitting for the compressible Euler equations that were not fully explored in Gerritsen and Olsson. The paper has several objectives. The first is to investigate the choice of the arbitrary parameter that determines the amount of splitting and its dependence on the type of physics of current interest to computational fluid dynamics. The second is to investigate in what manner the splitting affects the nonlinear stability of the central schemes for long time integrations of unsteady flows such as in nonlinear aeroacoustics and turbulence dynamics. If numerical dissipation indeed is needed to stabilize the central scheme, can the splitting help minimize the numerical dissipation compared to its un-split cousin? Extensive numerical study on the vortex preservation capability of the splitting in conjunction with central schemes for long time integrations will be presented. The third is to study the effect of the non-conservative proportion of splitting in obtaining the correct shock location for high speed complex shock-turbulence interactions. The fourth is to determine if this method can be extended to other physical equations of state and other evolutionary equation sets. If numerical dissipation is needed, the Yee, Sandham, and Djomehri (1999) numerical dissipation is employed. The Yee et al. schemes fit in the Olsson and Oliger framework.

Hybrid quantitative MRI using chemical shift displacement and recovery-based simultaneous water and lipid imaging: A preliminary study.

PubMed

Ohno, Naoki; Miyati, Tosiaki; Suzuki, Shuto; Kan, Hirohito; Aoki, Toshitaka; Nakamura, Yoshitaka; Hiramatsu, Yuki; Kobayashi, Satoshi; Gabata, Toshifumi

2018-07-01

To suppress olefinic signals and enable simultaneous and quantitative estimation of multiple functional parameters associated with water and lipid, we investigated a modified method using chemical shift displacement and recovery-based separation of lipid tissue (SPLIT) involving acquisitions with different inversion times (TIs), echo times (TEs), and b-values. Single-shot diffusion echo-planar imaging (SSD-EPI) with multiple b-values (0-3000 s/mm 2 ) was performed without fat suppression to separate water and lipid images using the chemical shift displacement of lipid signals in the phase-encoding direction. An inversion pulse (TI = 292 ms) was applied to SSD-EPI to remove olefinic signals. Consecutively, SSD-EPI (b = 0 s/mm 2 ) was performed with TI = 0 ms and TE = 31.8 ms for T 1 and T 2 measurements, respectively. Under these conditions, transverse water and lipid images at the maximum diameter of the right calf were obtained in six healthy subjects. T 1 , T 2 , and the apparent diffusion coefficients (ADC) were then calculated for the tibialis anterior (TA), gastrocnemius (GM), and soleus (SL) muscles, tibialis bone marrow (TB), and subcutaneous fat (SF). Perfusion-related (D*) and restricted diffusion coefficients (D) were calculated for the muscles. Lastly, the lipid fractions (LF) of the muscles were determined after T 1 and T 2 corrections. The modified SPLIT method facilitated sufficient separation of water and lipid images of the calf, and the inversion pulse with TI of 292 ms effectively suppressed olefinic signals. All quantitative parameters obtained with the modified SPLIT method were found to be in general agreement with those previously reported in the literature. The modified SPLIT technique enabled sufficient suppression of olefinic signals and simultaneous acquisition of quantitative parameters including diffusion, perfusion, T 1 and T 2 relaxation times, and LF. Copyright © 2018. Published by Elsevier Inc.

Probabilistic estimation of splitting coefficients of normal modes of the Earth, and their uncertainties, using an autoregressive technique

NASA Astrophysics Data System (ADS)

Pachhai, S.; Masters, G.; Laske, G.

2017-12-01

Earth's normal-mode spectra are crucial to studying the long wavelength structure of the Earth. Such observations have been used extensively to estimate "splitting coefficients" which, in turn, can be used to determine the three-dimensional velocity and density structure. Most past studies apply a non-linear iterative inversion to estimate the splitting coefficients which requires that the earthquake source is known. However, it is challenging to know the source details, particularly for big events as used in normal-mode analyses. Additionally, the final solution of the non-linear inversion can depend on the choice of damping parameter and starting model. To circumvent the need to know the source, a two-step linear inversion has been developed and successfully applied to many mantle and core sensitive modes. The first step takes combinations of the data from a single event to produce spectra known as "receiver strips". The autoregressive nature of the receiver strips can then be used to estimate the structure coefficients without the need to know the source. Based on this approach, we recently employed a neighborhood algorithm to measure the splitting coefficients for an isolated inner-core sensitive mode (13S2). This approach explores the parameter space efficiently without any need of regularization and finds the structure coefficients which best fit the observed strips. Here, we implement a Bayesian approach to data collected for earthquakes from early 2000 and more recent. This approach combines the data (through likelihood) and prior information to provide rigorous parameter values and their uncertainties for both isolated and coupled modes. The likelihood function is derived from the inferred errors of the receiver strips which allows us to retrieve proper uncertainties. Finally, we apply model selection criteria that balance the trade-offs between fit (likelihood) and model complexity to investigate the degree and type of structure (elastic and anelastic) required to explain the data.

Statistical Inference for Data Adaptive Target Parameters.

PubMed

Hubbard, Alan E; Kherad-Pajouh, Sara; van der Laan, Mark J

2016-05-01

Consider one observes n i.i.d. copies of a random variable with a probability distribution that is known to be an element of a particular statistical model. In order to define our statistical target we partition the sample in V equal size sub-samples, and use this partitioning to define V splits in an estimation sample (one of the V subsamples) and corresponding complementary parameter-generating sample. For each of the V parameter-generating samples, we apply an algorithm that maps the sample to a statistical target parameter. We define our sample-split data adaptive statistical target parameter as the average of these V-sample specific target parameters. We present an estimator (and corresponding central limit theorem) of this type of data adaptive target parameter. This general methodology for generating data adaptive target parameters is demonstrated with a number of practical examples that highlight new opportunities for statistical learning from data. This new framework provides a rigorous statistical methodology for both exploratory and confirmatory analysis within the same data. Given that more research is becoming "data-driven", the theory developed within this paper provides a new impetus for a greater involvement of statistical inference into problems that are being increasingly addressed by clever, yet ad hoc pattern finding methods. To suggest such potential, and to verify the predictions of the theory, extensive simulation studies, along with a data analysis based on adaptively determined intervention rules are shown and give insight into how to structure such an approach. The results show that the data adaptive target parameter approach provides a general framework and resulting methodology for data-driven science.

Mesoscale, Radiometrically Referenced, Multi-Temporal Hyperspectral Data for Co2 Leak Detection by Locating Spatial Variation of Biophysically Relevant Parameters

NASA Astrophysics Data System (ADS)

McCann, Cooper Patrick

Low-cost flight-based hyperspectral imaging systems have the potential to provide valuable information for ecosystem and environmental studies as well as aide in land management and land health monitoring. This thesis describes (1) a bootstrap method of producing mesoscale, radiometrically-referenced hyperspectral data using the Landsat surface reflectance (LaSRC) data product as a reference target, (2) biophysically relevant basis functions to model the reflectance spectra, (3) an unsupervised classification technique based on natural histogram splitting of these biophysically relevant parameters, and (4) local and multi-temporal anomaly detection. The bootstrap method extends standard processing techniques to remove uneven illumination conditions between flight passes, allowing the creation of radiometrically self-consistent data. Through selective spectral and spatial resampling, LaSRC data is used as a radiometric reference target. Advantages of the bootstrap method include the need for minimal site access, no ancillary instrumentation, and automated data processing. Data from a flight on 06/02/2016 is compared with concurrently collected ground based reflectance spectra as a means of validation achieving an average error of 2.74%. Fitting reflectance spectra using basis functions, based on biophysically relevant spectral features, allows both noise and data reductions while shifting information from spectral bands to biophysical features. Histogram splitting is used to determine a clustering based on natural splittings of these fit parameters. The Indian Pines reference data enabled comparisons of the efficacy of this technique to established techniques. The splitting technique is shown to be an improvement over the ISODATA clustering technique with an overall accuracy of 34.3/19.0% before merging and 40.9/39.2% after merging. This improvement is also seen as an improvement of kappa before/after merging of 24.8/30.5 for the histogram splitting technique compared to 15.8/28.5 for ISODATA. Three hyperspectral flights over the Kevin Dome area, covering 1843 ha, acquired 06/21/2014, 06/24/2015 and 06/26/2016 are examined with different methods of anomaly detection. Detection of anomalies within a single data set is examined to determine, on a local scale, areas that are significantly different from the surrounding area. Additionally, the detection and identification of persistent anomalies and non-persistent anomalies was investigated across multiple data sets.

Seismic Anisotropy Beneath Eastern North America: Results from Multi-Event Inversion

NASA Astrophysics Data System (ADS)

Li, Y.; Levin, V. L.; Chen, X.

2017-12-01

Seismic anisotropy observed from the split core-refracted shear phases reflects upper mantle deformation. To characterize anisotropic signatures beneath eastern North America, we collected observations along a 1300 km long array from James Bay to the Fundy Basin. The averaged splitting parameters of individual sites show uniform fast polarization orientation of 80° and delay times linearly decreasing from 1.0 s in the Appalachians to 0.5 s in the Superior Province. We also see directional variation of fast polarizations at most sites, which is a likely effect of vertical changes in anisotropic properties. For sites with 10 or more observations, we used a multi-event inversion technique to solve for the underlying anisotropic structure. The technique considers the NULL observations from single-event analysis that are excluded from the averaged splitting parameters. For models with a single 100 km thick anisotropic layer with a horizontal fast axis, we find up to 6% of anisotropy in the Appalachian Orogen, equivalent to a splitting delay time of 1.5 s. Anisotropy strength reduces to 1.8% in the Superior Province, equivalent to delay times under 0.5 s. The overall decrease in anisotropic strength is modified by local changes of up to 2%, suggesting small-scale local variations near the surface. Orientations of the fast axes change from 60° in the Appalachian Orogen to 90° in the Superior Province, and are also modulated by local deviations. In the Appalachian Orogen the fast axes are close to the absolute plate motion in a hot-spot reference frame, while those in the Superior Province differ from it by almost 30°. Average values of splitting delays agree well with results of inversions in the Superior Province, and diverge in the Appalachians. Conversely, averaged fast polarizations match inversion results in the Appalachians, and are systematically different in the Superior Province. For an set of sites with recording periods exceeding 5 years, we will test more complicated models of anisotropy, including dipping fast axes and multiple layers. Figure 1. The best fit anisotropic parameters, orientations of fast axes (top) and strength of anisotropy (bottom), assuming a single 100 km thick horizontal layer with a horizontal fast axis. The red line in top represents the absolute plate motion in a hot spot reference frame.

Phonon-drag magnetothermopower in Rashba spin-split two-dimensional electron systems.

PubMed

Biswas, Tutul; Ghosh, Tarun Kanti

2013-10-16

We study the phonon-drag contribution to the thermoelectric power in a quasi-two-dimensional electron system confined in GaAs/AlGaAs heterostructure in the presence of both Rashba spin-orbit interaction and perpendicular magnetic field at very low temperature. It is observed that the peaks in the phonon-drag thermopower split into two when the Rashba spin-orbit coupling constant is strong. This splitting is a direct consequence of the Rashba spin-orbit interaction. We show the dependence of phonon-drag thermopower on both magnetic field and temperature numerically. A power-law dependence of phonon-drag magnetothermopower on the temperature in the Bloch-Gruneisen regime is found. We also extract the exponent of the temperature dependence of phonon-drag thermopower for different parameters like electron density, magnetic field, and the spin-orbit coupling constant.

Photon merging and splitting in electromagnetic field inhomogeneities

NASA Astrophysics Data System (ADS)

Gies, Holger; Karbstein, Felix; Seegert, Nico

2016-04-01

We investigate photon merging and splitting processes in inhomogeneous, slowly varying electromagnetic fields. Our study is based on the three-photon polarization tensor following from the Heisenberg-Euler effective action. We put special emphasis on deviations from the well-known constant field results, also revisiting the selection rules for these processes. In the context of high-intensity laser facilities, we analytically determine compact expressions for the number of merged/split photons as obtained in the focal spots of intense laser beams. For the parameter range of typical petawatt class laser systems as pump and probe, we provide estimates for the numbers of signal photons attainable in an actual experiment. The combination of frequency upshifting, polarization dependence and scattering off the inhomogeneities renders photon merging an ideal signature for the experimental exploration of nonlinear quantum vacuum properties.

A uniform database of teleseismic shear wave splitting measurements for the western and central United States

NASA Astrophysics Data System (ADS)

Liu, Kelly H.; Elsheikh, Ahmed; Lemnifi, Awad; Purevsuren, Uranbaigal; Ray, Melissa; Refayee, Hesham; Yang, Bin B.; Yu, Youqiang; Gao, Stephen S.

2014-05-01

We present a shear wave splitting (SWS) database for the western and central United States as part of a lasting effort to build a uniform SWS database for the entire North America. The SWS measurements were obtained by minimizing the energy on the transverse component of the PKS, SKKS, and SKS phases. Each of the individual measurements was visually checked to ensure quality. This version of the database contains 16,105 pairs of splitting parameters. The data used to generate the parameters were recorded by 1774 digital broadband seismic stations over the period of 1989-2012, and represented all the available data from both permanent and portable seismic networks archived at the Incorporated Research Institutions for Seismology Data Management Center in the area of 26.00°N to 50.00°N and 125.00°W to 90.00°W. About 10,000 pairs of the measurements were from the 1092 USArray Transportable Array stations. The results show that approximately 2/3 of the fast orientations are within 30° from the absolute plate motion (APM) direction of the North American plate, and most of the largest departures with the APM are located along the eastern boundary of the western US orogenic zone and in the central Great Basins. The splitting times observed in the western US are larger than, and those in the central US are comparable with the global average of 1.0 s. The uniform database has an unprecedented spatial coverage and can be used for various investigations of the structure and dynamics of the Earth.

Method of orthogonally splitting imaging pose measurement

NASA Astrophysics Data System (ADS)

Zhao, Na; Sun, Changku; Wang, Peng; Yang, Qian; Liu, Xintong

2018-01-01

In order to meet the aviation's and machinery manufacturing's pose measurement need of high precision, fast speed and wide measurement range, and to resolve the contradiction between measurement range and resolution of vision sensor, this paper proposes an orthogonally splitting imaging pose measurement method. This paper designs and realizes an orthogonally splitting imaging vision sensor and establishes a pose measurement system. The vision sensor consists of one imaging lens, a beam splitter prism, cylindrical lenses and dual linear CCD. Dual linear CCD respectively acquire one dimensional image coordinate data of the target point, and two data can restore the two dimensional image coordinates of the target point. According to the characteristics of imaging system, this paper establishes the nonlinear distortion model to correct distortion. Based on cross ratio invariability, polynomial equation is established and solved by the least square fitting method. After completing distortion correction, this paper establishes the measurement mathematical model of vision sensor, and determines intrinsic parameters to calibrate. An array of feature points for calibration is built by placing a planar target in any different positions for a few times. An terative optimization method is presented to solve the parameters of model. The experimental results show that the field angle is 52 °, the focus distance is 27.40 mm, image resolution is 5185×5117 pixels, displacement measurement error is less than 0.1mm, and rotation angle measurement error is less than 0.15°. The method of orthogonally splitting imaging pose measurement can satisfy the pose measurement requirement of high precision, fast speed and wide measurement range.

Use of DAGMan in CRAB3 to Improve the Splitting of CMS User Jobs

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

Wolf, M.; Mascheroni, M.; Woodard, A.

CRAB3 is a workload management tool used by CMS physicists to analyze data acquired by the Compact Muon Solenoid (CMS) detector at the CERN Large Hadron Collider (LHC). Research in high energy physics often requires the analysis of large collections of files, referred to as datasets. The task is divided into jobs that are distributed among a large collection of worker nodes throughout the Worldwide LHC Computing Grid (WLCG). Splitting a large analysis task into optimally sized jobs is critical to efficient use of distributed computing resources. Jobs that are too big will have excessive runtimes and will not distributemore » the work across all of the available nodes. However, splitting the project into a large number of very small jobs is also inefficient, as each job creates additional overhead which increases load on infrastructure resources. Currently this splitting is done manually, using parameters provided by the user. However the resources needed for each job are difficult to predict because of frequent variations in the performance of the user code and the content of the input dataset. As a result, dividing a task into jobs by hand is difficult and often suboptimal. In this work we present a new feature called “automatic splitting” which removes the need for users to manually specify job splitting parameters. We discuss how HTCondor DAGMan can be used to build dynamic Directed Acyclic Graphs (DAGs) to optimize the performance of large CMS analysis jobs on the Grid. We use DAGMan to dynamically generate interconnected DAGs that estimate the processing time the user code will require to analyze each event. This is used to calculate an estimate of the total processing time per job, and a set of analysis jobs are run using this estimate as a specified time limit. Some jobs may not finish within the alloted time; they are terminated at the time limit, and the unfinished data is regrouped into smaller jobs and resubmitted.« less

Use of DAGMan in CRAB3 to improve the splitting of CMS user jobs

NASA Astrophysics Data System (ADS)

Wolf, M.; Mascheroni, M.; Woodard, A.; Belforte, S.; Bockelman, B.; Hernandez, J. M.; Vaandering, E.

2017-10-01

CRAB3 is a workload management tool used by CMS physicists to analyze data acquired by the Compact Muon Solenoid (CMS) detector at the CERN Large Hadron Collider (LHC). Research in high energy physics often requires the analysis of large collections of files, referred to as datasets. The task is divided into jobs that are distributed among a large collection of worker nodes throughout the Worldwide LHC Computing Grid (WLCG). Splitting a large analysis task into optimally sized jobs is critical to efficient use of distributed computing resources. Jobs that are too big will have excessive runtimes and will not distribute the work across all of the available nodes. However, splitting the project into a large number of very small jobs is also inefficient, as each job creates additional overhead which increases load on infrastructure resources. Currently this splitting is done manually, using parameters provided by the user. However the resources needed for each job are difficult to predict because of frequent variations in the performance of the user code and the content of the input dataset. As a result, dividing a task into jobs by hand is difficult and often suboptimal. In this work we present a new feature called “automatic splitting” which removes the need for users to manually specify job splitting parameters. We discuss how HTCondor DAGMan can be used to build dynamic Directed Acyclic Graphs (DAGs) to optimize the performance of large CMS analysis jobs on the Grid. We use DAGMan to dynamically generate interconnected DAGs that estimate the processing time the user code will require to analyze each event. This is used to calculate an estimate of the total processing time per job, and a set of analysis jobs are run using this estimate as a specified time limit. Some jobs may not finish within the alloted time; they are terminated at the time limit, and the unfinished data is regrouped into smaller jobs and resubmitted.

TH-E-BRF-01: Exploiting Tumor Shrinkage in Split-Course Radiotherapy

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

Unkelbach, J; Craft, D; Hong, T

2014-06-15

Purpose: In split-course radiotherapy, a patient is treated in several stages separated by weeks or months. This regimen has been motivated by radiobiological considerations. However, using modern image-guidance, it also provides an approach to reduce normal tissue dose by exploiting tumor shrinkage. In this work, we consider the optimal design of split-course treatments, motivated by the clinical management of large liver tumors for which normal liver dose constraints prohibit the administration of an ablative radiation dose in a single treatment. Methods: We introduce a dynamic tumor model that incorporates three factors: radiation induced cell kill, tumor shrinkage, and tumor cellmore » repopulation. The design of splitcourse radiotherapy is formulated as a mathematical optimization problem in which the total dose to the liver is minimized, subject to delivering the prescribed dose to the tumor. Based on the model, we gain insight into the optimal administration of radiation over time, i.e. the optimal treatment gaps and dose levels. Results: We analyze treatments consisting of two stages in detail. The analysis confirms the intuition that the second stage should be delivered just before the tumor size reaches a minimum and repopulation overcompensates shrinking. Furthermore, it was found that, for a large range of model parameters, approximately one third of the dose should be delivered in the first stage. The projected benefit of split-course treatments in terms of liver sparing depends on model assumptions. However, the model predicts large liver dose reductions by more than a factor of two for plausible model parameters. Conclusion: The analysis of the tumor model suggests that substantial reduction in normal tissue dose can be achieved by exploiting tumor shrinkage via an optimal design of multi-stage treatments. This suggests taking a fresh look at split-course radiotherapy for selected disease sites where substantial tumor regression translates into reduced target volumes.« less

Imaging geometry, velocity, and anisotropy of the "African Anomaly"

NASA Astrophysics Data System (ADS)

Wang, Yi

The "African Anomaly" is a prominent low velocity province in the lower mantle beneath Africa. I have determined the geometry and geographic distribution of a very low velocity province (VLVP) at the base of the "African Anomaly" near the core mantle boundary (CMB). The VLVP exhibits an "L-shaped" form stretching from the South Atlantic Ocean to the Indian Ocean, occupying an area of about 1.8 x 107 km2 at the CMB. Waveform modeling analyses with the SH hybrid method suggest that the VLVP has rapidly varying geometries and sharp borders as well as a linear gradient of shear velocity reduction from -2% (top) to -9% - -12% (bottom) relative to the Preliminary Reference Earth Model. These seismic characteristics unambiguously indicate that the VLVP is compositionally distinct, and can best be explained by partial melt driven by a compositional change, possibly produced early in the Earth's history. I have imaged the geometry and P- and S-velocity structures for the "African Anomaly" along the great arc from the East Pacific Rise to the Japan Sea. The "African Anomaly" exhibits a "cusplike" shape with both flanks tilting toward the apex beneath southern Africa, and it continuously extends about 1300 km upward into the mid-lower mantle. The average Vs reductions are about -5% in the base above the CMB and about -2% - -3% in the mid-lower portion above the base. A uniform Vs to Vp perturbation ratio of 3:1 can best explain the P wave data. The geometry and seismic features indicate that the mid-lower mantle portion of the "African Anomaly" is an integrated component of the VLVP at the base, and might also be compositionally distinct and geologically stable. After the geometry and seismic structure were imaged for the "African Anomaly", I have studied the anisotropy associated with the VLVP at the base of the "African Anomaly". I measure the apparent splitting parameters (the fast polarization direction and the delay time) for high-quality SKS and SKKS waveforms of deep earthquakes. The medium in the interior of the VLVP may be isotropic or vertically transverse isotropic due to the good station correlation of apparent splitting parameters and the consistency of apparent splitting parameters for SKS and SKKS waves of the same earthquake when seismic data sample in the interior of the VLVP. However, the medium near the borders of the VLVP has to be anisotropic in order to account for the lack of station correlation of apparent splitting parameters and the inconsistency of apparent splitting parameters for SKS and SKKS waves of the same earthquake when seismic data sample near the borders of the VLVP. The anisotropy near the borders of the VLVP can be generated by the lattice-preferred orientation of anisotropic aggregates, revealing a complex mantle flow in the surrounding areas.

Crystal-field splittings in rare-earth-based hard magnets: An ab initio approach

NASA Astrophysics Data System (ADS)

Delange, Pascal; Biermann, Silke; Miyake, Takashi; Pourovskii, Leonid

2017-10-01

We apply the first-principles density functional theory + dynamical mean-field theory framework to evaluate the crystal-field splitting on rare-earth sites in hard magnetic intermetallics. An atomic (Hubbard-I) approximation is employed for local correlations on the rare-earth 4 f shell and self-consistency in the charge density is implemented. We reduce the density functional theory self-interaction contribution to the crystal-field splitting by properly averaging the 4 f charge density before recalculating the one-electron Kohn-Sham potential. Our approach is shown to reproduce the experimental crystal-field splitting in the prototypical rare-earth hard magnet SmCo5. Applying it to R Fe12 and R Fe12X hard magnets (R =Nd , Sm and X =N , Li), we obtain in particular a large positive value of the crystal-field parameter A20〈r2〉 in NdFe12N resulting in a strong out-of-plane anisotropy observed experimentally. The sign of A20〈r2〉 is predicted to be reversed by substituting N with Li, leading to a strong out-of-plane anisotropy in SmFe12Li . We discuss the origin of this strong impact of N and Li interstitials on the crystal-field splitting on rare-earth sites.

Impeded Dark Matter

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

Kopp, Joachim; Liu, Jia; Slatyer, Tracy

Here, we consider dark matter models in which the mass splitting between the dark matter particles and their annihilation products is tiny. Compared to the previously proposed Forbidden Dark Matter scenario, the mass splittings we consider are much smaller, and are allowed to be either positive or negative. To emphasize this modification, we dub our scenario \\Impeded Dark Matter". We also demonstrate that Impeded Dark Matter can be easily realized without requiring tuning of model parameters. For negative mass splitting, we demonstrate that the annihilation cross-section for Impeded Dark Matter depends linearly on the dark matter velocity or may evenmore » be kinematically forbidden, making this scenario almost insensitive to constraints from the cosmic microwave background and from observations of dwarf galaxies. Accordingly, it may be possible for Impeded Dark Matter to yield observable signals in clusters or the Galactic center, with no corresponding signal in dwarfs. Furthermore, for positive mass splitting, we show that the annihilation cross-section is suppressed by the small mass splitting, which helps light dark matter to survive increasingly stringent constraints from indirect searches. As specific realizations for Impeded Dark Matter, we introduce a model of vector dark matter from a hidden SU(2) sector, and a composite dark matter scenario based on a QCD-like dark sector.« less

Impeded Dark Matter

DOE PAGES

Kopp, Joachim; Liu, Jia; Slatyer, Tracy; ...

2016-12-12

Here, we consider dark matter models in which the mass splitting between the dark matter particles and their annihilation products is tiny. Compared to the previously proposed Forbidden Dark Matter scenario, the mass splittings we consider are much smaller, and are allowed to be either positive or negative. To emphasize this modification, we dub our scenario \\Impeded Dark Matter". We also demonstrate that Impeded Dark Matter can be easily realized without requiring tuning of model parameters. For negative mass splitting, we demonstrate that the annihilation cross-section for Impeded Dark Matter depends linearly on the dark matter velocity or may evenmore » be kinematically forbidden, making this scenario almost insensitive to constraints from the cosmic microwave background and from observations of dwarf galaxies. Accordingly, it may be possible for Impeded Dark Matter to yield observable signals in clusters or the Galactic center, with no corresponding signal in dwarfs. Furthermore, for positive mass splitting, we show that the annihilation cross-section is suppressed by the small mass splitting, which helps light dark matter to survive increasingly stringent constraints from indirect searches. As specific realizations for Impeded Dark Matter, we introduce a model of vector dark matter from a hidden SU(2) sector, and a composite dark matter scenario based on a QCD-like dark sector.« less

Upper Mantle Dynamics of Bangladesh by Splitting Analyzes of Core Refracted SKS and SKKS Waves

NASA Astrophysics Data System (ADS)

Tiwari, A. K.; Bhushan, K.; Eken, T.; Singh, A.

2017-12-01

New shear wave splitting measurements are obtained from hitherto less studied Bengal Basin using core refracted SKS and SKKS phases. Splitting parameters, time delays (δt) and fast polarization directions (Φ) were estimated through analysis of 64 high-quality waveforms (≥ 2.5 signal to noise ratio) from 29 earthquakes with magnitude ≥5.5 recorded at eight seismic stations deployed over Bangladesh. We found no evidence of splitting which indicates azimuthal isotropy beneath the region. Null measurements can be explained by near vertical axis of anisotropy or by the presence of multiple anisotropic layers with different fast polarization directions, where combined effect results in null. We consider that the presence of partial melts within the upper mantle due to Kerguelen mantle plume activities may be the potential geodynamic cause for observed null measurements. It locally perturbed mantle convection flow beneath the region and reoriented the lattice preferred orientation of the upper mantle mineral mainly olivine as this disabled the core refracted SKS and SKKS phases to scan the anisotropic characteristics of the region, and hence null measurements are obtained.

Upper mantle dynamics of Bangladesh by splitting analysis of core-mantle refracted SKS, PKS, and SKKS phases

NASA Astrophysics Data System (ADS)

Tiwari, Ashwani Kant; Bhushan, Kirti; Eken, Tuna; Singh, Arun

2018-06-01

New shear wave splitting measurements are obtained from the Bengal Basin using core-mantle refracted SKS, PKS, and SKKS phases. The splitting parameters, namely time delays (δ t) and fast polarization directions (ϕ), were estimated through analysis of 54 high-quality waveforms (⩾ 2.5 signal to noise ratio) from 30 earthquakes with magnitude ⩾ 5.5 recorded at ten seismic stations deployed over Bangladesh. No evidence of splitting was found, which indicates azimuthal isotropy beneath the region. These null measurements can be explained by either vertically dipping anisotropic fast axes or by the presence of multiple horizontal anisotropic layers with different fast polarization directions, where the combined effect results in a null characterization. The anisotropic fabric preserved from rifting episodes of Antarctica and India, subduction-related dynamics of the Indo-Burmese convergence zone, and northward movement of the Indian plate creating shear at the base of the lithosphere can explain the observed null measurements. The combined effect of all these most likely results in a strong vertical anisotropic heterogeneity, creating the observed null results.

Carbon dioxide splitting in a dielectric barrier discharge plasma: a combined experimental and computational study.

PubMed

Aerts, Robby; Somers, Wesley; Bogaerts, Annemie

2015-02-01

Plasma technology is gaining increasing interest for the splitting of CO2 into CO and O2 . We have performed experiments to study this process in a dielectric barrier discharge (DBD) plasma with a wide range of parameters. The frequency and dielectric material did not affect the CO2 conversion and energy efficiency, but the discharge gap can have a considerable effect. The specific energy input has the most important effect on the CO2 conversion and energy efficiency. We have also presented a plasma chemistry model for CO2 splitting, which shows reasonable agreement with the experimental conversion and energy efficiency. This model is used to elucidate the critical reactions that are mostly responsible for the CO2 conversion. Finally, we have compared our results with other CO2 splitting techniques and we identified the limitations as well as the benefits and future possibilities in terms of modifications of DBD plasmas for greenhouse gas conversion in general. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spin-polarized current in Zeeman-split d-wave superconductor/quantum wire junctions

NASA Astrophysics Data System (ADS)

Emamipour, Hamidreza

2016-06-01

We study a thin-film quantum wire/unconventional superconductor junction in the presence of an intrinsic exchange field for a d-wave symmetry of the superconducting order parameter. A strongly spin-polarized current is generated due to an interplay between Zeeman splitting of bands and the nodal structure of the superconducting order parameter. We show that strongly spin-polarized current is achievable for both metallic and tunnel junctions. This is because of the presence of a quantum wire (one-dimensional metal) in our junction. While in two-dimensional junctions with both conventional [F. Giazotto, F. Taddei, Phys. Rev. B 77 (2008) 132501] and unconventional [J. Linder, T. Yokoyama, Y. Tanaka, A. Sudbo, Phys. Rev. B 78 (2008) 014516] pairing states, highly spin polarized current takes place just for a tunnel junction. Also, the obtained spin-polarized current is tunable in sign and magnitude in terms of exchange field and applied bias voltage.

Tunable Droplet Breakup Dynamics on Micropillared Superhydrophobic Surfaces.

PubMed

Zhang, Rui; Hao, Pengfei; Zhang, Xiwen; Niu, Fenglei; He, Feng

2018-06-22

Functional materials with controllable droplet breakup properties have extensive application prospects in aircraft anti-icing, spraying cooling, surface coating, and so on. Here we show that introducing micropillar arrays with various morphologies to fabricate superhydrophobic surfaces could either facilitate or suppress droplet splitting. The spacing and height of micropillars play an essential role in tuning the splitting patterns. Delayed splashing occurs on dense pillars which support the liquid lamella and provide channels for air to escape. A novel droplet breakup mechanism is found on sparse tall pillars, which rises from the instability of lateral liquid jets and significantly reduces the droplet breakup threshold. The critical Weber number of the rupture of low-viscous liquid is solely determined by the geometric parameters of micropillars and droplets. This work unveils the impact of ordered microstructures on the droplet breakup dynamics and provides a quantitative analysis of the geometric parameters in revising the breakup criteria.

Some Physical and Computational Issues in Land Surface Data Assimilation of Satellite Skin Temperatures

NASA Astrophysics Data System (ADS)

Mackaro, Scott M.; McNider, Richard T.; Biazar, Arastoo Pour

2012-03-01

Skin temperatures that reflect the radiating temperature of a surface observed by infrared radiometers are one of the most widely available products from polar orbiting and geostationary satellites and the most commonly used satellite data in land surface assimilation. Past work has indicated that a simple land surface scheme with a few key parameters constrained by observations such as skin temperatures may be preferable to complex land use schemes with many unknown parameters. However, a true radiating skin temperature is sometimes not a prognostic variable in weather forecast models. Additionally, recent research has shown that skin temperatures cannot be directly used in surface similarity forms for inferring fluxes. This paper examines issues encountered in using satellite derived skin temperatures to improve surface flux specifications in weather forecast and air quality models. Attention is given to iterations necessary when attempting to nudge the surface energy budget equation to a desired state. Finally, the issue of mathematical operator splitting is examined in which the surface energy budget calculations are split with the atmospheric vertical diffusion calculations. However, the high level of connectivity between the surface and first atmospheric level means that the operator splitting leads to high frequency oscillations. These oscillations may hinder the assimilation of skin temperature derived moisture fluxes.

Inversion for Double-Layer Anisotropy in the Mantle Beneath the Middle America and Izu-Bonin Subduction Zones

NASA Astrophysics Data System (ADS)

Kuo, B. Y.

2017-12-01

We measured shear wave splitting for the intraslab events in the Middle America and Izu-Bonin subduction zones recorded at Pacific stations to infer the anisotropic structure in the subslab mantle. The receiver-side anisotropy is accounted for by considering both azimuthal anisotropy determined by SKS splitting and radial anisotropy given in global tomographic model, although the latter does not change the overall pattern of subslab anisotropy. By removing the anisotropy effects from both receiver and source sides, the initial polarization directions (p) of the shear waves used were recovered, most of which are in reasonable agreement with that predicted form the CMT solutions. For both subduction zones, the polarization-splitting plots strongly suggest the presence of two layers of anisotropy. To constrain the two-layer model, we perform inversions which minimize the misfit in both the splitting parameters and p. In the MASZ, the best model contains an upper layer with the fast direction in parallel with the absolute plate motion of the Cocos plate and a lower layer 40-60 degree clockwise from the APM. The delay times are 1.5 and 1.9 s respectively. The interference of the double layer produced dts in excess of 3 s at a certain range of p. The SKS splitting were also inverted for a two-layer model, yielding similar splitting characters and the clockwise rotation. We are investigating why this rotation takes place and how this observation is related to the dynamics of the asthenosphere.

Research on Spectroscopy, Opacity, and Atmospheres

NASA Astrophysics Data System (ADS)

Kurucz, Robert L.; Bell, Barbara

1996-01-01

This line list is a replacement for the Kurucz-Peytremann line list. We have combined all the atomic files from CDROM 18 into 534910 line files GFALL.DAT and GFELEM.DAT. These are the data we actually use to compute spectra. They are not up to date. References are given in GFALL.REF or GFELEN.REF. There are no references after 1988. For light elements there are no references after 1979. We have the literature into the 1990's but have not had manpower or funding to update everything. Our current plan is to make a new semiempirical calculation for each species and at that time to include all the data from the literature. One new development is the inclusion of hyperfine splitting for the iron group elements using hyperfine data from the literature through 1993. The data are very incomplete. We have not yet included data for isotopic splitting. We supply a program for splitting the line list for a species. It reads the hyperfine and isotopic splitting parameters for levels and computes the oplittings whenever those levels appear. Lines with no splitting data are copied untouched. Because Sc, Mn, and Co are monoisotopic, only the hyperfine splittings are needed. Since 51V is much more abundant than S0V, the isotope shifts are small for 51V, and we approximate V with 51V. GFALLKYP.DAT has 754946 lines including hyperfine Sc(I), V(I), Mn(I), and Co(I). A bibliography for last year (1994-1995) is also attached.

Cavity-assisted emission of polarization-entangled photons from biexcitons in quantum dots with fine-structure splitting.

PubMed

Schumacher, Stefan; Förstner, Jens; Zrenner, Artur; Florian, Matthias; Gies, Christopher; Gartner, Paul; Jahnke, Frank

2012-02-27

We study the quantum properties and statistics of photons emitted by a quantum-dot biexciton inside a cavity. In the biexciton-exciton cascade, fine-structure splitting between exciton levels degrades polarization-entanglement for the emitted pair of photons. However, here we show that the polarization-entanglement can be preserved in such a system through simultaneous emission of two degenerate photons into cavity modes tuned to half the biexciton energy. Based on detailed theoretical calculations for realistic quantum-dot and cavity parameters, we quantify the degree of achievable entanglement.

Seismic anisotropy of the lithosphere/asthenosphere system beneath the Rwenzori region of the Albertine Rift

NASA Astrophysics Data System (ADS)

Homuth, B.; Löbl, U.; Batte, A. G.; Link, K.; Kasereka, C. M.; Rümpker, G.

2016-09-01

Shear-wave splitting measurements from local and teleseismic earthquakes are used to investigate the seismic anisotropy in the upper mantle beneath the Rwenzori region of the East African Rift system. At most stations, shear-wave splitting parameters obtained from individual earthquakes exhibit only minor variations with backazimuth. We therefore employ a joint inversion of SKS waveforms to derive hypothetical one-layer parameters. The corresponding fast polarizations are generally rift parallel and the average delay time is about 1 s. Shear phases from local events within the crust are characterized by an average delay time of 0.04 s. Delay times from local mantle earthquakes are in the range of 0.2 s. This observation suggests that the dominant source region for seismic anisotropy beneath the rift is located within the mantle. We use finite-frequency waveform modeling to test different models of anisotropy within the lithosphere/asthenosphere system of the rift. The results show that the rift-parallel fast polarizations are consistent with horizontal transverse isotropy (HTI anisotropy) caused by rift-parallel magmatic intrusions or lenses located within the lithospheric mantle—as it would be expected during the early stages of continental rifting. Furthermore, the short-scale spatial variations in the fast polarizations observed in the southern part of the study area can be explained by effects due to sedimentary basins of low isotropic velocity in combination with a shift in the orientation of anisotropic fabrics in the upper mantle. A uniform anisotropic layer in relation to large-scale asthenospheric mantle flow is less consistent with the observed splitting parameters.

A state interaction spin-orbit coupling density matrix renormalization group method

NASA Astrophysics Data System (ADS)

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

2016-06-01

We describe a state interaction spin-orbit (SISO) coupling method using density matrix renormalization group (DMRG) wavefunctions and the spin-orbit mean-field (SOMF) operator. We implement our DMRG-SISO scheme using a spin-adapted algorithm that computes transition density matrices between arbitrary matrix product states. To demonstrate the potential of the DMRG-SISO scheme we present accurate benchmark calculations for the zero-field splitting of the copper and gold atoms, comparing to earlier complete active space self-consistent-field and second-order complete active space perturbation theory results in the same basis. We also compute the effects of spin-orbit coupling on the spin-ladder of the iron-sulfur dimer complex [Fe2S2(SCH3)4]3-, determining the splitting of the lowest quartet and sextet states. We find that the magnitude of the zero-field splitting for the higher quartet and sextet states approaches a significant fraction of the Heisenberg exchange parameter.

Suppression of the overlap between Majorana fermions by orbital magnetic effects in semiconducting-superconducting nanowires

NASA Astrophysics Data System (ADS)

Dmytruk, Olesia; Klinovaja, Jelena

2018-04-01

We study both analytically and numerically the role of orbital effects caused by a magnetic field applied along the axis of a semiconducting Rashba nanowire in the topological regime hosting Majorana fermions. We demonstrate that the orbital effects can be effectively taken into account in a one-dimensional model by shifting the chemical potential and thus modifying the topological criterion. We focus on the energy splitting between two Majorana fermions in a finite nanowire and find a striking interplay between orbital and Zeeman effects on this splitting. In the limit of strong spin-orbit interaction, we find regimes where the amplitude of the oscillating splitting stays constant or even decays with increasing the magnetic field, in stark contrast to the commonly studied case where orbital effects of the magnetic field are neglected. The period of these oscillations is found to be almost constant in many parameter regimes.

A search for muon neutrino to electron neutrino oscillation mediated by sterile neutrinos in MINOS+

NASA Astrophysics Data System (ADS)

Germani, Stefano; Schreckenberger, Adam P.

2017-09-01

The MINOS experiment made precision measurements of the neutrino oscillation parameters that are governed by the atmospheric mass-squared splitting. These measurements were made with data that were collected while the NuMI muon neutrino beam operated in a low energy mode that peaks around 3 GeV. Today the NuMI beam is running with a higher energy mode that produces a neutrino energy spectrum that peaks around 7 GeV, allowing the MINOS+ experiment to probe neutrino oscillation phenomena that could potentially be governed by a fourth mass-squared splitting. If observed, the presence of a fourth mass-squared splitting would be compelling evidence for a sterile neutrino state. In this analysis, we will present the results of a search for νµ → νe oscillation mediated by sterile neutrinos in MINOS+. The results will be contrasted against the measurements made by the LSND experiment.

Magnetically induced phonon splitting in A Cr 2 O 4 spinels from first principles

DOE PAGES

Wysocki, Aleksander L.; Birol, Turan

2016-04-22

We study the magnetically-induced phonon splitting in cubic ACr 2O 4 (A=Mg, Zn, Cd) spinels from first principles and demonstrate that the sign of the splitting, which is experimentally observed to be opposite in CdCr 2O 4 compared to ZnCr 2O 4 and MgCr 2O 4, is determined solely by the particular magnetic ordering pattern observed in these compounds. We further show that this interaction between magnetism and phonon frequencies can be fully described by the previously proposed spin-phonon coupling model [C. J. Fennie and K. M. Rabe, Phys. Rev. Lett. 96, 205505 (2006)] that includes only the nearest neighbormore » exchange. In conclusion, using this model with materials specific parameters calculated from first principles, we provide additional insights into the physics of spin-phonon coupling in this intriguing family of compounds.« less

Energy distribution analysis in boosted HCCI-like / LTGC engines – Understanding the trade-offs to maximize the thermal efficiency

DOE PAGES

Dernotte, Jeremie; Dec, John E.; Ji, Chunsheng

2015-04-14

A detailed understanding of the various factors affecting the trends in gross-indicated thermal efficiency with changes in key operating parameters has been carried out, applied to a one-liter displacement single-cylinder boosted Low-Temperature Gasoline Combustion (LTGC) engine. This work systematically investigates how the supplied fuel energy splits into the following four energy pathways: gross-indicated thermal efficiency, combustion inefficiency, heat transfer and exhaust losses, and how this split changes with operating conditions. Additional analysis is performed to determine the influence of variations in the ratio of specific heat capacities (γ) and the effective expansion ratio, related to the combustion-phasing retard (CA50), onmore » the energy split. Heat transfer and exhaust losses are computed using multiple standard cycle analysis techniques. Furthermore, the various methods are evaluated in order to validate the trends.« less

Symmetry-Based Variance Reduction Applied to 60Co Teletherapy Unit Monte Carlo Simulations

NASA Astrophysics Data System (ADS)

Sheikh-Bagheri, D.

A new variance reduction technique (VRT) is implemented in the BEAM code [1] to specifically improve the efficiency of calculating penumbral distributions of in-air fluence profiles calculated for isotopic sources. The simulations focus on 60Co teletherapy units. The VRT includes splitting of photons exiting the source capsule of a 60Co teletherapy source according to a splitting recipe and distributing the split photons randomly on the periphery of a circle, preserving the direction cosine along the beam axis, in addition to the energy of the photon. It is shown that the use of the VRT developed in this work can lead to a 6-9 fold improvement in the efficiency of the penumbral photon fluence of a 60Co beam compared to that calculated using the standard optimized BEAM code [1] (i.e., one with the proper selection of electron transport parameters).

Thermodynamic Analysis of the Use a Chemical Heat Pump to Link a Supercritical Water-Cooled Nuclear Reactor and a Thermochemical Water-Splitting Cycle for Hydrogen Production

NASA Astrophysics Data System (ADS)

Granovskii, Mikhail; Dincer, Ibrahim; Rosen, Marc A.; Pioro, Igor

Increases in the power generation efficiency of nuclear power plants (NPPs) are mainly limited by the permissible temperatures in nuclear reactors and the corresponding temperatures and pressures of the coolants in reactors. Coolant parameters are limited by the corrosion rates of materials and nuclear-reactor safety constraints. The advanced construction materials for the next generation of CANDU reactors, which employ supercritical water (SCW) as a coolant and heat carrier, permit improved “steam” parameters (outlet temperatures up to 625°C and pressures of about 25 MPa). An increase in the temperature of steam allows it to be utilized in thermochemical water splitting cycles to produce hydrogen. These methods are considered by many to be among the most efficient ways to produce hydrogen from water and to have advantages over traditional low-temperature water electrolysis. However, even lower temperature water splitting cycles (Cu-Cl, UT-3, etc.) require an intensive heat supply at temperatures higher than 550-600°C. A sufficient increase in the heat transfer from the nuclear reactor to a thermochemical water splitting cycle, without jeopardizing nuclear reactor safety, might be effectively achieved by application of a heat pump, which increases the temperature of the heat supplied by virtue of a cyclic process driven by mechanical or electrical work. Here, a high-temperature chemical heat pump, which employs the reversible catalytic methane conversion reaction, is proposed. The reaction shift from exothermic to endothermic and back is achieved by a change of the steam concentration in the reaction mixture. This heat pump, coupled with the second steam cycle of a SCW nuclear power generation plant on one side and a thermochemical water splitting cycle on the other, increases the temperature of the “nuclear” heat and, consequently, the intensity of heat transfer into the water splitting cycle. A comparative preliminary thermodynamic analysis is conducted of the combined system comprising a SCW nuclear power generation plant and a chemical heat pump, which provides high-temperature heat to a thermochemical water splitting cycle for hydrogen production. It is concluded that the proposed chemical heat pump permits the utilization efficiency of nuclear energy to be improved by at least 2% without jeopardizing nuclear reactor safety. Based on this analysis, further research appears to be merited on the proposed advanced design of a nuclear power generation plant combined with a chemical heat pump, and implementation in appropriate applications seems worthwhile.

SM-4 computer and CAMAC equipment in automating a ROMS-2A mass spectrometer

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

Bulgakov, R.Sh.; Gafurov, R.A.; Safin, D.N.

1988-05-01

A data acquisition system was developed which provides for measuring mass peaks on three parameters as well as measuring working parameters. The computer memory stores 40 kHz signals, with an ADC cycle time of 10 microsec. A structural diagram is given together with upgrades made in the CAMAC apparatus to improve the speed and extend the application. Working parameters such as the pressures in pipes and the temperature in the test zone can be monitored by splitting the measurements into two cycles alternating with a controlled frequency: gas composition and technological parameter measurement.

Comparison of clinical outcomes between in vitro fertilization (IVF) and intracytoplasmic sperm injection (ICSI) in IVF-ICSI split insemination cycles.

PubMed

Lee, Sun Hee; Lee, Jae Hyun; Park, Yong-Seog; Yang, Kwang Moon; Lim, Chun Kyu

2017-06-01

This study aimed to compare the clinical outcomes between in vitro fertilization (IVF) and intracytoplasmic sperm injection (ICSI) in sibling oocytes. Additionally, we evaluated whether the implementation of split insemination contributed to an increase in the number of ICSI procedures. A total of 571 cycles in 555 couples undergoing split insemination cycles were included in this study. Among them, 512 cycles (89.7%) were a couple's first IVF cycle. The patients were under 40 years of age and at least 10 oocytes were retrieved in all cycles. Sibling oocytes were randomly allocated to IVF or ICSI. Total fertilization failure was significantly more common in IVF cycles than in ICSI cycles (4.0% vs. 1.4%, p <0.05), but the low fertilization rate among retrieved oocytes (as defined by fertilization rates greater than 0% but <30%) was significantly higher in ICSI cycles than in IVF cycles (17.2% vs. 11.4%, p <0.05). The fertilization rate of ICSI among injected oocytes was significantly higher than for IVF (72.3%±24.3% vs. 59.2%±25.9%, p <0.001), but the fertilization rate among retrieved oocytes was significantly higher in IVF than in ICSI (59.2%±25.9% vs. 52.1%±22.5%, p <0.001). Embryo quality before embryo transfer was not different between IVF and ICSI. Although the sperm parameters were not different between the first cycle and the second cycle, split insemination or ICSI was performed in 18 of the 95 cycles in which a second IVF cycle was performed. The clinical outcomes did not differ between IVF and ICSI in split insemination cycles. Split insemination can decrease the risk of total fertilization failure. However, unnecessary ICSI is carried out in most split insemination cycles and the use of split insemination might make ICSI more common.

Comparison of clinical outcomes between in vitro fertilization (IVF) and intracytoplasmic sperm injection (ICSI) in IVF-ICSI split insemination cycles

PubMed Central

Lee, Sun Hee; Lee, Jae Hyun; Park, Yong-Seog; Yang, Kwang Moon

2017-01-01

Objective This study aimed to compare the clinical outcomes between in vitro fertilization (IVF) and intracytoplasmic sperm injection (ICSI) in sibling oocytes. Additionally, we evaluated whether the implementation of split insemination contributed to an increase in the number of ICSI procedures. Methods A total of 571 cycles in 555 couples undergoing split insemination cycles were included in this study. Among them, 512 cycles (89.7%) were a couple's first IVF cycle. The patients were under 40 years of age and at least 10 oocytes were retrieved in all cycles. Sibling oocytes were randomly allocated to IVF or ICSI. Results Total fertilization failure was significantly more common in IVF cycles than in ICSI cycles (4.0% vs. 1.4%, p<0.05), but the low fertilization rate among retrieved oocytes (as defined by fertilization rates greater than 0% but <30%) was significantly higher in ICSI cycles than in IVF cycles (17.2% vs. 11.4%, p<0.05). The fertilization rate of ICSI among injected oocytes was significantly higher than for IVF (72.3%±24.3% vs. 59.2%±25.9%, p<0.001), but the fertilization rate among retrieved oocytes was significantly higher in IVF than in ICSI (59.2%±25.9% vs. 52.1%±22.5%, p<0.001). Embryo quality before embryo transfer was not different between IVF and ICSI. Although the sperm parameters were not different between the first cycle and the second cycle, split insemination or ICSI was performed in 18 of the 95 cycles in which a second IVF cycle was performed. Conclusion The clinical outcomes did not differ between IVF and ICSI in split insemination cycles. Split insemination can decrease the risk of total fertilization failure. However, unnecessary ICSI is carried out in most split insemination cycles and the use of split insemination might make ICSI more common. PMID:28795049

X-Ray Polarization Imaging

DTIC Science & Technology

2006-07-01

linearity; (4) determination of polarization as a function of radiographic parameters ; and (5) determination of the effect of binding energy on... hydroxyapatite . Type II calcifications are known to be associated with carcinoma, while it is generally accepted that the exclusive finding of type I...concentrate on the extrapolation of the Rh target spectra. The extrapolation was split in two parts. Below 24 keV we used the parameters from Boone’s paper

Vibrational Dependence of Line Coupling and Line Mixing in Self-Broadened Parallel Bands of NH3

NASA Technical Reports Server (NTRS)

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

2017-01-01

Line coupling and line mixing effects have been calculated for several self-broadened NH3 lines in parallel bands involving an excited v2 mode. It is well known that once the v2 mode is excited, the inversion splitting quickly increases as this quantum number increases. In the present study, we have shown that the v2 dependence of the inversion splitting plays a dominant role in the calculated line-shape parameters. For the v2 band with a 36 cm-1 splitting, the intra-doublet couplings practically disappear and for the 2v2 and 2v2 - v2 bands with much higher splitting values, they are completely absent. With respect to the inter-doublet coupling, it becomes the most efficient coupling mechanism for the v2 band, but it is also completely absent for bands with higher v2 quantum numbers. Because line mixing is caused by line coupling, the above conclusions on line coupling are also applicable for line mixing. Concerning the check of our calculated line mixing effects, while the present formalism has well explained the line mixing signatures observed in the v1 band, there are large discrepancies between the measured Rosenkranz mixing parameters and our calculated results for the v2 and 2v2 bands. In order to clarify these discrepancies, we propose to make some new measurements. In addition, we have calculated self-broadened half-widths in the v2 and 2v2 bands and made comparisons with several measurements and with the values listed in HITRAN 2012. In general, the agreements with measurements are very good. In contrast, the agreement with HITRAN 2012 is poor, indicating that the empirical formula used to predict the HITRAN 2012 data has to be updated.

Fracture heuristics: surgical decision for approaches to distal radius fractures. A surgeon's perspective.

PubMed

Wichlas, Florian; Tsitsilonis, Serafim; Kopf, Sebastian; Krapohl, Björn Dirk; Manegold, Sebastian

2017-01-01

Introduction: The aim of the present study is to develop a heuristic that could replace the surgeon's analysis for the decision on the operative approach of distal radius fractures based on simple fracture characteristics. Patients and methods: Five hundred distal radius fractures operated between 2011 and 2014 were analyzed for the surgeon's decision on the approach used. The 500 distal radius fractures were treated with open reduction and internal fixation through palmar, dorsal, and dorsopalmar approaches with 2.4 mm locking plates or underwent percutaneous fixation. The parameters that should replace the surgeon's analysis were the fractured palmar cortex, and the frontal and the sagittal split of the articular surface of the distal radius. Results: The palmar approach was used for 422 (84.4%) fractures, the dorsal approach for 39 (7.8%), and the combined dorsopalmar approach for 30 (6.0%). Nine (1.8%) fractures were treated percutaneously. The correlation between the fractured palmar cortex and the used palmar approach was moderate (r=0.464; p<0.0001). The correlation between the frontal split and the dorsal approach, including the dorsopalmar approach, was strong (r=0.715; p<0.0001). The sagittal split had only a weak correlation for the dorsal and dorsopalmar approach (r=0.300; p<0.0001). Discussion: The study shows that the surgical decision on the preferred approach is dictated through two simple factors, even in the case of complex fractures. Conclusion: When the palmar cortex is displaced in distal radius fractures, a palmar approach should be used. When there is a displaced frontal split of the articular surface, a dorsal approach should be used. When both are present, a dorsopalmar approach should be used. These two simple parameters could replace the surgeon's analysis for the surgical approach.

Shear Wave Splitting analysis of borehole microseismic reveals weak azimuthal anisotropy hidden behind strong VTI fabric of Lower Paleozoic shales in northern Poland

NASA Astrophysics Data System (ADS)

Gajek, Wojciech; Verdon, James; Malinowski, Michał; Trojanowski, Jacek

2017-04-01

Azimuthal anisotropy plays a key-role in hydraulic fracturing experiments, since it provides information on stress orientation and pre-existing fracture system presence. The Lower Paleozoic shale plays in northern Poland are characterized by a strong (15-18%) Vertical Transverse Isotropy (VTI) fabric which dominates weak azimuthal anisotropy being of order of 1-2%. A shear wave travelling in the subsurface after entering an anisotropic medium splits into two orthogonally polarized waves travelling with different velocities. Splitting parameters which can be assessed using a microseismic array are polarization of the fast shear wave and time delay between two modes. Polarization of the fast wave characterizes the anisotropic system on the wave path while the time delay is proportional to the magnitude of anisotropy. We employ Shear Wave Splitting (SWS) technique using a borehole microseismic dataset collected during a hydraulic stimulation treatment located in northern Poland, to image fracture strike masked by a strong VTI signature. During the inversion part, the VTI background parameters were kept constant using information from 3D seismic (VTI model used for pre-stack depth migration). Obtained fracture azimuths averaged over fracturing stages are consistent with the available XRMI imager logs from the nearby vertical well, however they are different from the large-scale maximum stress direction (by 40-45 degrees). Inverted Hudson's crack density (ca. 2%) are compatible with the low shear-wave anisotropy observed in the cross-dipole sonic logs (1-2%). This work has been funded by the Polish National Centre for Research and Development within the Blue Gas project (No BG2/SHALEMECH/14). Data were provided by the PGNiG SA. Collaboration with University of Bristol was supported within TIDES COST Action ES1401.

Splitting efficiency and interference effects in a Cooper pair splitter based on a triple quantum dot with ferromagnetic contacts

NASA Astrophysics Data System (ADS)

Bocian, Kacper; Rudziński, Wojciech; Weymann, Ireneusz

2018-05-01

We theoretically study the spin-resolved subgap transport properties of a Cooper pair splitter based on a triple quantum dot attached to superconducting and ferromagnetic leads. Using the Keldysh Green's function formalism, we analyze the dependence of the Andreev conductance, Cooper pair splitting efficiency, and tunnel magnetoresistance on the gate and bias voltages applied to the system. We show that the system's transport properties are strongly affected by spin dependence of tunneling processes and quantum interference between different local and nonlocal Andreev reflections. We also study the effects of finite hopping between the side quantum dots on the Andreev current. This allows for identifying the optimal conditions for enhancing the Cooper pair splitting efficiency of the device. We find that the splitting efficiency exhibits a nonmonotonic dependence on the degree of spin polarization of the leads and the magnitude and type of hopping between the dots. An almost perfect splitting efficiency is predicted in the nonlinear response regime when the energies of the side quantum dots are tuned to the energies of the corresponding Andreev bound states. In addition, we analyzed features of the tunnel magnetoresistance (TMR) for a wide range of the gate and bias voltages, as well as for different model parameters, finding the corresponding sign changes of the TMR in certain transport regimes. The mechanisms leading to these effects are thoroughly discussed.

Estimation of splitting functions from Earth's normal mode spectra using the neighbourhood algorithm

NASA Astrophysics Data System (ADS)

Pachhai, Surya; Tkalčić, Hrvoje; Masters, Guy

2016-01-01

The inverse problem for Earth structure from normal mode data is strongly non-linear and can be inherently non-unique. Traditionally, the inversion is linearized by taking partial derivatives of the complex spectra with respect to the model parameters (i.e. structure coefficients), and solved in an iterative fashion. This method requires that the earthquake source model is known. However, the release of energy in large earthquakes used for the analysis of Earth's normal modes is not simple. A point source approximation is often inadequate, and a more complete account of energy release at the source is required. In addition, many earthquakes are required for the solution to be insensitive to the initial constraints and regularization. In contrast to an iterative approach, the autoregressive linear inversion technique conveniently avoids the need for earthquake source parameters, but it also requires a number of events to achieve full convergence when a single event does not excite all singlets well. To build on previous improvements, we develop a technique to estimate structure coefficients (and consequently, the splitting functions) using a derivative-free parameter search, known as neighbourhood algorithm (NA). We implement an efficient forward method derived using the autoregresssion of receiver strips, and this allows us to search over a multiplicity of structure coefficients in a relatively short time. After demonstrating feasibility of the use of NA in synthetic cases, we apply it to observations of the inner core sensitive mode 13S2. The splitting function of this mode is dominated by spherical harmonic degree 2 axisymmetric structure and is consistent with the results obtained from the autoregressive linear inversion. The sensitivity analysis of multiple events confirms the importance of the Bolivia, 1994 earthquake. When this event is used in the analysis, as little as two events are sufficient to constrain the splitting functions of 13S2 mode. Apart from not requiring the knowledge of earthquake source, the newly developed technique provides an approximate uncertainty measure of the structure coefficients and allows us to control the type of structure solved for, for example to establish if elastic structure is sufficient.

Detailed study of upper mantle anisotropy in the upper mantle of eastern North America

NASA Astrophysics Data System (ADS)

Chen, X.; Levin, V. L.; Li, Y.

2016-12-01

We collected observations of core-refracted shear waves on a 1300 km long array crossing the eastern part of the North American continent from James Bay to the Fundy Basin. We combine data from the Earthscope Transportable Array, Canadian and US permanent observatories, and the recently completed Earthscope FlexArray QMIII.Past studies found ample evidence for directional dependence (anisotropy) of seismic wave speed in the upper mantle of this region. However, to date the lateral spacing of seismic observatories made direct comparisons between anisotropic structure and tectonic divisions evident on the surface challenging. With instruments spacing 50 km, and less near major tectonic boundaries such as the Grenville Front and the Appalachian Front, we can discriminate between gradual changes in anisotropic properties due to asthenospheric flow variations, and abrupt and localized changes likely to arise from juxtaposition of distinct lithospheric blocks.To insure lateral consistency of measurements we selected core-refracted shear waves that were observed over the entire length of our array. Also, since directional dependence of splitting parameters is a well recognized signature of vertical changes in anisotropic properties we examine observations from different directions, and look for systematic changes.Most locations show evidence for some degree of splitting in observed shear waves. Delays between fast and slow components estimated using rotation-correlation method range from 0.3 to 1.5 s. At most sites delay values vary considerably between individual phases measured. Fast polarizations are predominantly NE-SW, which agrees with numerous past studies of the region. Systematic directional dependence of fast polarization is seen at all sites we studied. Furthermore, the values of fast polarization appear to be similar along the entire array for individual events but vary from event to event. Both of these observations are consistent with the previously proposed notion of layered anisotropy in the upper mantle of the North American continent. We find localized changes in splitting parameters at the Grenville Front. The Appalachian Front, or the internal divisions of the Appalachian Orogen do not have obvious changes in splitting parameters associated with them.

Seismic anisotropy along the Cyprean arc and northeast Mediterranean Sea inferred from shear wave splitting analysis

NASA Astrophysics Data System (ADS)

Yolsal-Çevikbilen, Seda

2014-08-01

The Cyprean arc is considered to be a convergent boundary in the Eastern Mediterranean where the African plate is being subducted beneath the Anatolian plate. Mapping the lateral variations of seismic anisotropy parameters can provide essential hints to mantle dynamics and flow patterns in relation to the geometry and style of deformation developed under different pressure, temperature conditions around the subducting African lithosphere. In this study, seismic anisotropy parameters, fast polarization directions (ϕ) and delay times (δt) beneath the Cyprean arc and NE Mediterranean Sea are inferred from the shear wave splitting analysis performed on core-mantle refracted teleseismic shear waves (SKS phases). Earthquake data used in the present work are extracted from the continuous recordings of 8 broad-band seismic stations located in the study region for a time period during 1999 and 2012. The overall results exhibits clear evidences of mantle anisotropy with relatively uniform NE-SW aligned fast polarization directions. No abrupt changes in fast polarization directions (ϕ) are observed. However, near the Dead Sea Transform Fault, ϕ values tend to rotate from NE-SW to N-S and NW-SE in accordance with Pn anisotropy observations. Delay times (δt) vary between 0.61 s ± 0.10 s and 1.90 s ± 0.13 s. The range of delay times are generally consistent with those observed in the mantle rather than implying a crustal anisotropy. A predominant pattern of NNE-SSW fast polarization directions that is coherent with earlier SKS splitting measurements observed beneath north, central and East Anatolia suggests a SW directed asthenospheric flow caused by slab rollback process along the Hellenic and Cyprean arcs. Furthermore, apparent splitting parameters did not exhibit any significant directional dependence which may imply possibility of the presence of anisotropic models with two-layer anisotropy or dipping axis of symmetry beneath the northeast Mediterranean Sea and Cyprean arc. Consequently, a simple, single-layered and sub-horizontal anisotropy model is tentatively suggested for the study region.

Tertiary instability of zonal flows within the Wigner-Moyal formulation of drift turbulence

NASA Astrophysics Data System (ADS)

Zhu, Hongxuan; Ruiz, D. E.; Dodin, I. Y.

2017-10-01

The stability of zonal flows (ZFs) is analyzed within the generalized-Hasegawa-Mima model. The necessary and sufficient condition for a ZF instability, which is also known as the tertiary instability, is identified. The qualitative physics behind the tertiary instability is explained using the recently developed Wigner-Moyal formulation and the corresponding wave kinetic equation (WKE) in the geometrical-optics (GO) limit. By analyzing the drifton phase space trajectories, we find that the corrections proposed in Ref. to the WKE are critical for capturing the spatial scales characteristic for the tertiary instability. That said, we also find that this instability itself cannot be adequately described within a GO formulation in principle. Using the Wigner-Moyal equations, which capture diffraction, we analytically derive the tertiary-instability growth rate and compare it with numerical simulations. The research was sponsored by the U.S. Department of Energy.

Automated analysis of SKS splitting to infer upper mantle anisotropy beneath Germany using more than 20 yr of GRSN and GRF data

NASA Astrophysics Data System (ADS)

Walther, M.; Plenefisch, T.; Rümpker, G.

2014-02-01

Upper mantle anisotropy beneath Germany is investigated through the measurements and analysis of shear-wave splitting using SKS phases. We analysed teleseismic events recorded by 24 broadband stations of the German Regional Seismic Network (GRSN) and three broadband stations of the Gräfenberg-Array (GRF). These permanent German networks cover an area extending from the Alps in the south up to the Northern German basin towards north. In comparison to several former studies that are based either on short observation periods or that are restricted to limited areas of Germany, we resort to 22 yr of the GRSN (1991-2012) and 34 yr of GRF data archive (1979-2012). Due to the huge amount of data, we applied a fully automatic procedure to determine SKS splitting parameters from archived recordings and also applied strong quality constraints to obtain reliable solutions. From our analysis, two main features are obvious: For the stations in the middle and southern part of Germany we found homogeneous E-W to ENE-WSW fast-axis directions. In contrast, stations in NE-Germany exhibit a NW-SE oriented fast axis. Both findings can be correlated to major tectonic features in Central Europe. The E-W to ENE-WSW orientations in the middle and southern part of Germany are nearly parallel to the strike of the Variscan mountain belts, whereas the NW-SE direction in NE-Germany corresponds to the orientation of the nearby Tornquist-Teisseyre suture zone. For the southern part of Germany, there are indications for an alignment of the fast axis parallel to the curvature of the nearby Alps. Apart from the more large-scale features there are two stations (BFO and CLZ) which seem to have an imprint related to the regional geodynamic setting, namely the rifting in the Southern Rhine Graben and the formation of the Harz Mountains, respectively. We conclude that the observed regional variations of splitting parameter over Germany advocate for a mostly lithospheric route of the anisotropy. Furthermore, variations of the splitting parameters with respect to the azimuths of the incoming waves, as observed at some stations, point to vertical varying anisotropy. For some stations (BFO, RUE) the inversions for two anisotropic layers revealed directions of the fast axes that are similar to the strike directions of the surrounding tectonic units. For other stations, the confidence regions are too large for a tectonic interpretation.

A novel theoretical probe of the SrTiO3 surface under water-splitting conditions

NASA Astrophysics Data System (ADS)

Letchworth-Weaver, Kendra; Gunceler, Deniz; Arias, Tomás; Plaza, Manuel; Huang, Xin; Brock, Joel; Rodriguez-López, Joaquin; Abruña, Hector

2014-03-01

Understanding the reaction mechanisms required to generate hydrogen fuel by photoelectrolysis of water is essential to energy conversion research. These reaction pathways are strongly influenced by the geometry and electronic structure of the electrode surface under water-splitting conditions. Electrochemical microscopy has demonstrated that biasing a SrTiO3 (001) surface can lead to an increase in water-splitting activity. In operando X-ray reflectivity measurements at the Cornell High Energy Synchrotron Source (CHESS) correlate this increase in activity to a significant reorganization in the surface structure but are unable to determine the exact nature of this change. Joint Density-Functional Theory (JDFT), a rigorous yet computationally efficient alternative to molecular dynamics, provides a quantum-mechanical description of an electrode surface in contact with an aqueous environment, and a microscopically detailed description of the interfacial liquid structure. Our JDFT calculations determine the structure of the activated SrTiO3 surface and explore why it is correlated with higher activity for water splitting. With no empirical parameters whatsoever, we predict the X-ray crystal truncation rods for SrTiO3, finding excellent agreement with experiment. Funded by the Energy Materials Center at Cornell (EMC2).

FIBER AND INTEGRATED OPTICS. FIBER WAVEGUIDE DEVICES: Vector solitons in fiber waveguides with a random birefringence

NASA Astrophysics Data System (ADS)

Kivshar', Yu S.; Konotop, V. V.

1990-12-01

A study is made of the propagation of soliton pulses in single-mode fiber waveguides with a birefringence that gives rise to a nonlinear interaction between the polarizations and to a difference between their group velocities. It is shown that a vector soliton decays if a parameter representing the birefringence intensity exceeds a certain critical value. The case when the birefringence can be described by a random function is of special interest. It is demonstrated that fluctuations of the birefringence then split the vector solitons into separate polarizations and the characteristic distance governing such splitting is calculated analytically.

Chiral solitons in spinor polariton rings

NASA Astrophysics Data System (ADS)

Zezyulin, D. A.; Gulevich, D. R.; Skryabin, D. V.; Shelykh, I. A.

2018-04-01

We consider theoretically one-dimensional polariton ring accounting for both longitudinal-transverse (TE-TM) and Zeeman splittings of spinor polariton states and spin-dependent polariton-polariton interactions. We present a class of solutions in the form of the localized defects rotating with constant angular velocity and analyze their properties for realistic values of the parameters of the system. We show that the effects of the geometric phase arising from the interplay between the external magnetic field and the TE-TM splitting introduce chirality in the system and make solitons propagating in clockwise and anticlockwise directions nonequivalent. This can be interpreted as a solitonic analog of the Aharonov-Bohm effect.

Design-Parameters Setup for Power-Split Dual-Regime IVT

NASA Astrophysics Data System (ADS)

Preda, Ion; Ciolan, Gheorghe; Covaciu, Dinu

2017-10-01

To analyze the working possibilities of power-split infinitely variable transmissions (IVTs) it is necessary to follow a systematic approach. The method proposed in this paper consists of generating a block diagram of the transmission and then, based on this diagram, to derive the kinematics and dynamics equations of the transmission. For an actual numerical case, the derived equations are used to find characteristic values of the transmission components (gear and chain drives, planetary units) necessary to calculate the speed ratios, the speeds, torques and powers acting on the shafts and coupling (control) elements, and even to estimate the overall efficiency of the transmission.

Organic and inorganic fertilizer effect on soil CO2 flux, microbial biomass, and growth of Nigella sativa L.

NASA Astrophysics Data System (ADS)

Salehi, Aliyeh; Fallah, Seyfollah; Sourki, Ali Abasi

2017-01-01

Cattle manure has a high carbon/nitrogen ratio and may not decompose; therefore, full-dose application of urea fertilizer might improve biological properties by increasing manure decomposition. This study aimed to investigate the effect of combining cattle manure and urea fertilizer on soil CO2 flux, microbial biomass carbon, and dry matter accumulation during Nigella sativa L. (black cumin) growth under field conditions. The treatments were control, cattle manure, urea, different levels of split and full-dose integrated fertilizer. The results showed that integrated application of cattle manure and chemical fertilizer significantly increased microbial biomass carbon by 10%, soil organic carbon by 2.45%, total N by 3.27%, mineral N at the flowering stage by 7.57%, and CO2 flux by 9% over solitary urea application. Integrated application increased microbial biomass carbon by 10% over the solitary application and the full-dose application by 5% over the split application. The soil properties and growth parameters of N. sativa L. benefited more from the full-dose application than the split application of urea. Cattle manure combined with chemical fertilizer and the full-dose application of urea increased fertilizer efficiency and improved biological soil parameters and plant growth. This method decreased the cost of top dressing urea fertilizer and proved beneficial for the environment and medicinal plant health.

Charge transport through split photoelectrodes in dye-sensitized solar cells

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

Fakharuddin, Azhar; Ahmed, Irfan; Yusoff, Mashitah M.

2014-04-28

Charge transport and recombination are relatively ignored parameters while upscaling dye-sensitized solar cells (DSCs). Enhanced photovoltaic parameters are anticipated by merely widening the devices physical dimensions, viz., thickness and area as evident from the device design adopted in reported large area DSCs. These strip designs lead to ≤50% loss in photocurrent compared to the high efficiency lab scale devices. Herein, we report that the key to achieving higher current density (J{sub SC}) is optimized diffusion volume rather than the increased photoelectrode area because kinetics of the devices is strongly influenced by the varied choices of diffusion pathways upon increasing themore » electrode area. For a given electrode area and thickness, we altered the photoelectrode design by splitting the electrode into multiple fractions to restrict the electron diffusion pathways. We observed a correlation between the device physical dimensions and its charge collection efficiency via current-voltage and impedance spectroscopy measurements. The modified electrode designs showed >50% increased J{sub SC} due to shorter transport time, higher recombination resistance and enhanced charge collection efficiency compared to the conventional ones despite their similar active volume (∼3.36 × 10{sup −4} cm{sup 3}). A detailed charge transport characteristic of the split devices and their comparison with single electrode configuration is described in this article.« less

Microwave Spectra of the Two Conformers of PROPENE-3-{d}_1 and a Semiexperimental Equilibrium Structure of Propene

NASA Astrophysics Data System (ADS)

Craig, Norman C.; Demaison, J.; Rudolph, Heinz Dieter; Gurusinghe, Ranil M.; Tubergen, Michael; Coudert, L. H.; Szalay, Peter; Császár, Attila

2017-06-01

FT microwave spectra have been observed and analyzed for the S (in-plane) and A (out-of-plane) conformers of propene-3-{d}_1 in the 10-22 GHz region. Both conformers display splittings due to deuterium quadrupole coupling; for the latter one only, a 19 MHz splitting due to internal rotation of the partially deuterated methyl group has been observed. In addition to rotational constants, the analysis yielded quadrupole coupling constants and parameters describing the tunneling splitting and its rotational dependence. Improved rotational constants for parent propene and the three ^{13}C_1 species are recently available. Use of vibration-rotation interaction constants computed at the MP2(FC)/cc-pVTZ level gave equilibrium rotational constants for these six species and for fourteen more deuterium isotopologues with diminished accuracy from early literature data. A semiexperimental equilibrium structure, r_e^{SE}, has been determined for propene by fitting fourteen structural parameters to the equilibrium rotational constants. The new r_e^{SE} structure compares well with an ab initio equilibrium structure computed with the all-electron CCSD(T)/cc-pV(Q,T)Z model and with a structure obtained using the mixed regression method with predicates and equilibrium rotational constants. N. C. Craig, P. Groner, A. R. Conrad, R. Gurusinghe, M. J. Tubergen J. Mol. Spectrosc. 248, 1-6 (2016).

Inferences of Complex Anisotropic Layering and Mantle Flow Beneath the Malawi Rift Zone from Shear-Wave Splitting

NASA Astrophysics Data System (ADS)

Gao, S. S.; Reed, C. A.; Yu, Y.; Liu, K. H.; Chindandali, P. R. N.; Mdala, H. S.; Massinque, B.; Mutamina, D. M.

2016-12-01

Measuring the magnitude and orientation of seismic anisotropy beneath actively extending rift zones provides invaluable estimates of the influence of numerous geodynamic parameters upon their evolution. In order to infer the character and origin of extensional forces acting upon the Malawi Rift Zone (MRZ) and Luangwa Rift Zone (LRZ) of southern Africa, we installed 33 Seismic Arrays For African Rift Initiation (SAFARI) three-component broadband seismic stations in Malawi, Mozambique, and Zambia between 2012-2014. Shear-wave splitting parameters, including the fast-component polarization orientation and the splitting time, are extracted from 142 events recorded during that time period for a total of 642 well-defined PKS, SKKS, and SKS phase measurements. Polarizations trend NE-SW along the western flank of the LRZ, whereupon they demonstrate an abrupt shift to N-S within the rift valley and the eastern flank. SWS orientations shift increasingly counterclockwise toward the east until, at 33°E, they shift from WNW-ESE to ENE-WSW, suggesting a systematic change in dominant mantle fabric orientation. The resulting fast orientations demonstrate remarkable variability within the MRZ, with E-W measurements in the north rotating counterclockwise toward the south to N-S within the southernmost MRZ. Measurements revert to E-W and NE-SW orientations toward the east in Mozambique, suggesting the presence of complex two-layer anisotropy. Azimuthal variations of SWS parameters recorded by stations within the central MRZ exhibit excellent 90° periodicity, further suggesting complex anisotropic layering. Lateral variation of measurements between the northern and southern MRZ imply the modulation of the mantle flow system beneath the active rift zone.

Rapid production of optimal-quality reduced-resolution representations of very large databases

DOEpatents

Sigeti, David E.; Duchaineau, Mark; Miller, Mark C.; Wolinsky, Murray; Aldrich, Charles; Mineev-Weinstein, Mark B.

2001-01-01

View space representation data is produced in real time from a world space database representing terrain features. The world space database is first preprocessed. A database is formed having one element for each spatial region corresponding to a finest selected level of detail. A multiresolution database is then formed by merging elements and a strict error metric is computed for each element at each level of detail that is independent of parameters defining the view space. The multiresolution database and associated strict error metrics are then processed in real time for real time frame representations. View parameters for a view volume comprising a view location and field of view are selected. The error metric with the view parameters is converted to a view-dependent error metric. Elements with the coarsest resolution are chosen for an initial representation. Data set first elements from the initial representation data set are selected that are at least partially within the view volume. The first elements are placed in a split queue ordered by the value of the view-dependent error metric. If the number of first elements in the queue meets or exceeds a predetermined number of elements or whether the largest error metric is less than or equal to a selected upper error metric bound, the element at the head of the queue is force split and the resulting elements are inserted into the queue. Force splitting is continued until the determination is positive to form a first multiresolution set of elements. The first multiresolution set of elements is then outputted as reduced resolution view space data representing the terrain features.

A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography

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

van Thor, Jasper J.; Madsen, Anders

In order to exploit the femtosecond pulse duration of X-ray Free-Electron Lasers (XFEL) operating in the hard X-ray regime for ultrafast time-resolved protein crystallography experiments, critical parameters that determine the crystallographic signal-to-noise (I/σI) must be addressed. For single-crystal studies under low absorbed dose conditions, it has been shown that the intrinsic pulse intensity stability as well as mode structure and jitter of this structure, significantly affect the crystallographic signal-to-noise. Here, geometrical parameters are theoretically explored for a three-beam scheme: X-ray probe, optical pump, X-ray probe (or “probe-pump-probe”) which will allow experimental determination of the photo-induced structure factor amplitude differences, ΔF,more » in a ratiometric manner, thereby internally referencing the intensity noise of the XFEL source. In addition to a non-collinear split-beam geometry which separates un-pumped and pumped diffraction patterns on an area detector, applying an additional convergence angle to both beams by focusing leads to integration over mosaic blocks in the case of well-ordered stationary protein crystals. Ray-tracing X-ray diffraction simulations are performed for an example using photoactive yellow protein crystals in order to explore the geometrical design parameters which would be needed. The specifications for an X-ray split and delay instrument that implements both an offset angle and focused beams are discussed, for implementation of a probe-pump-probe scheme at the European XFEL. We discuss possible extension of single crystal studies to serial femtosecond crystallography, particularly in view of the expected X-ray damage and ablation due to the first probe pulse.« less

A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography

DOE PAGES

van Thor, Jasper J.; Madsen, Anders

2015-01-01

In order to exploit the femtosecond pulse duration of X-ray Free-Electron Lasers (XFEL) operating in the hard X-ray regime for ultrafast time-resolved protein crystallography experiments, critical parameters that determine the crystallographic signal-to-noise (I/σI) must be addressed. For single-crystal studies under low absorbed dose conditions, it has been shown that the intrinsic pulse intensity stability as well as mode structure and jitter of this structure, significantly affect the crystallographic signal-to-noise. Here, geometrical parameters are theoretically explored for a three-beam scheme: X-ray probe, optical pump, X-ray probe (or “probe-pump-probe”) which will allow experimental determination of the photo-induced structure factor amplitude differences, ΔF,more » in a ratiometric manner, thereby internally referencing the intensity noise of the XFEL source. In addition to a non-collinear split-beam geometry which separates un-pumped and pumped diffraction patterns on an area detector, applying an additional convergence angle to both beams by focusing leads to integration over mosaic blocks in the case of well-ordered stationary protein crystals. Ray-tracing X-ray diffraction simulations are performed for an example using photoactive yellow protein crystals in order to explore the geometrical design parameters which would be needed. The specifications for an X-ray split and delay instrument that implements both an offset angle and focused beams are discussed, for implementation of a probe-pump-probe scheme at the European XFEL. We discuss possible extension of single crystal studies to serial femtosecond crystallography, particularly in view of the expected X-ray damage and ablation due to the first probe pulse.« less

A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography

PubMed Central

van Thor, Jasper J.; Madsen, Anders

2015-01-01

In order to exploit the femtosecond pulse duration of X-ray Free-Electron Lasers (XFEL) operating in the hard X-ray regime for ultrafast time-resolved protein crystallography experiments, critical parameters that determine the crystallographic signal-to-noise (I/σI) must be addressed. For single-crystal studies under low absorbed dose conditions, it has been shown that the intrinsic pulse intensity stability as well as mode structure and jitter of this structure, significantly affect the crystallographic signal-to-noise. Here, geometrical parameters are theoretically explored for a three-beam scheme: X-ray probe, optical pump, X-ray probe (or “probe-pump-probe”) which will allow experimental determination of the photo-induced structure factor amplitude differences, ΔF, in a ratiometric manner, thereby internally referencing the intensity noise of the XFEL source. In addition to a non-collinear split-beam geometry which separates un-pumped and pumped diffraction patterns on an area detector, applying an additional convergence angle to both beams by focusing leads to integration over mosaic blocks in the case of well-ordered stationary protein crystals. Ray-tracing X-ray diffraction simulations are performed for an example using photoactive yellow protein crystals in order to explore the geometrical design parameters which would be needed. The specifications for an X-ray split and delay instrument that implements both an offset angle and focused beams are discussed, for implementation of a probe-pump-probe scheme at the European XFEL. We discuss possible extension of single crystal studies to serial femtosecond crystallography, particularly in view of the expected X-ray damage and ablation due to the first probe pulse. PMID:26798786

On three dimensional object recognition and pose-determination: An abstraction based approach. Ph.D. Thesis - Michigan Univ. Final Report

NASA Technical Reports Server (NTRS)

Quek, Kok How Francis

1990-01-01

A method of computing reliable Gaussian and mean curvature sign-map descriptors from the polynomial approximation of surfaces was demonstrated. Such descriptors which are invariant under perspective variation are suitable for hypothesis generation. A means for determining the pose of constructed geometric forms whose algebraic surface descriptors are nonlinear in terms of their orienting parameters was developed. This was done by means of linear functions which are capable of approximating nonlinear forms and determining their parameters. It was shown that biquadratic surfaces are suitable companion linear forms for cylindrical approximation and parameter estimation. The estimates provided the initial parametric approximations necessary for a nonlinear regression stage to fine tune the estimates by fitting the actual nonlinear form to the data. A hypothesis-based split-merge algorithm for extraction and pose determination of cylinders and planes which merge smoothly into other surfaces was developed. It was shown that all split-merge algorithms are hypothesis-based. A finite-state algorithm for the extraction of the boundaries of run-length regions was developed. The computation takes advantage of the run list topology and boundary direction constraints implicit in the run-length encoding.

Search for temporal changes in shear-wave splitting associated with the 2012 Te Maari Eruptions at Mount Tongariro, New Zealand

NASA Astrophysics Data System (ADS)

Godfrey, Holly J.; Shelley, Adrian; Savage, Martha K.

2014-10-01

We investigate changes in shear wave splitting and VP/VS ratios of local earthquakes from the GeoNet catalogue during a 16 month period beginning a year before the first Te Maari eruption at Mount Tongariro on August 6, 2012, focusing on four permanent seismographs located in proximity to the volcano. We identify four time periods bounded by sharp transitions that comprise the study period, during which moving averages of the shear-wave splitting parameters, Φ (fast direction) and δt (delay time), are fairly constant. At all stations, VP/VS is steady throughout most of the study period at 1.75. Small variations occur during the earthquake swarm at the volcano, which started a month before the first eruption, and for some low magnitude events occurring after a change in earthquake location method. Analysis of data sets in which epicentre location, hypocentre depth and event magnitude are restricted illustrates that observed temporal changes in shear-wave splitting parameters are likely due to the spatial variation of paths. This in turn is governed by the spatial distribution of seismicity and measurement quality. We think the short term variation in VP/VS ratios is due to event origin time uncertainty of low magnitude earthquakes or incorrect S-phase arrival timing for events in the Tongariro swarm. These results suggest that any volcanic processes able to cause changes in shear-wave splitting or VP/VS associated with the two eruptions during our study period were too localised to Te Maari to be observed at the seismographs studied using our methods. Dominant Φ observed during the study period are oriented approximately tangential to the Tongariro/Ngauruhoe massif at all four stations. We suggest that this may result from gravitational loading of Tongariro and Ngauruhoe mountains inducing fracturing or dilatation of tangentially oriented microcracks. There may also be some effect from layered material causing horizontal propagating rays yielding faster speed SH waves than SV at station NGZ. Measurements from shallow earthquakes in immediate proximity to the seismographs indicate the potential presence of a shallow, highly anisotropic body in the volcano.

Precision measurement of the local bias of dark matter halos

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

Lazeyras, Titouan; Wagner, Christian; Schmidt, Fabian

2016-02-01

We present accurate measurements of the linear, quadratic, and cubic local bias of dark matter halos, using curved 'separate universe' N-body simulations which effectively incorporate an infinite-wavelength overdensity. This can be seen as an exact implementation of the peak-background split argument. We compare the results with the linear and quadratic bias measured from the halo-matter power spectrum and bispectrum, and find good agreement. On the other hand, the standard peak-background split applied to the Sheth and Tormen (1999) and Tinker et al. (2008) halo mass functions matches the measured linear bias parameter only at the level of 10%. The predictionmore » from the excursion set-peaks approach performs much better, which can be attributed to the stochastic moving barrier employed in the excursion set-peaks prediction. We also provide convenient fitting formulas for the nonlinear bias parameters b{sub 2}(b{sub 1}) and b{sub 3}(b{sub 1}), which work well over a range of redshifts.« less

Experimental determination of the bulk Rashba parameters in BiTeBr

NASA Astrophysics Data System (ADS)

Martin, C.; Suslov, A. V.; Buvaev, S.; Hebard, A. F.; Bugnon, P.; Berger, H.; Magrez, A.; Tanner, D. B.

2016-12-01

Shubnikov-de Haas (SdH) oscillations, Hall effect, and optical reflectance (R(ω)) measurements have been performed on single crystals of BiTeBr. Under magnetic fields up to 32 tesla and at temperatures as low as 0.4 K, the SdH data shows a single oscillation frequency F = 102 +/- 5 \\text{tesla} . The combined transport and optical studies establish that the SdH effect originates from the Rashba spin-split bulk conduction band, with the chemical potential situated about 13 meV below the crossing (Dirac) point. The bulk carrier concentration was ne≈5×1018 \\text{cm}-3 and the effective mass m1*= 0.16m0 . Combining SdH and optical data, we reliably determine the Rashba parameters for the bulk conduction band of BiTeBr: the Rashba energy ER = 28 \\text{meV} and the momentum spin-split kR = 0.033 \\unicode{8491}-1 . Hence, the bulk Rashba coupling strength αR = 2ER/kR is found to be 1.7 eVÅ.

Superposition model analysis of zero field splitting for Mn2+ in some host single crystals

NASA Astrophysics Data System (ADS)

Bansal, R. S.; Ahlawat, P.; Bharti, M.; Hooda, S. S.

2013-07-01

The Newman superposition model has been used to investigate the substitution of Mn2+ for Zn2+ site in ammonium tetra flurozincate dihydrate and for Co2+ site in cobalt ammonium phosphate hexahydrate and cobalt potassium phosphate hexahydrate single crystals. The calculated values of zero field splitting parameter b 2 0 at room temperature fit the experimental data with average intrinsic parameters overline{b}2 (F) = -0.0531 cm-1 for fluorine and overline{b}2 (O) = -0.0280 cm-1 for oxygen, taken t 2 = 7 for Mn2+ doped in ammonium tetra fluorozincate dihydrate single crystals. The values of overline{b}2 determined for Mn2+ doped in cobalt ammonium phosphate hexahydrate are -0.049 cm-1 for site I and -0.045 cm-1 for site II and in cobalt pottasium phosphate hexahydrate single crystals it is found to be overline{b}2 = -0.086 cm-1. We find close agreement between theoretical and experimental values of b 2 0.

Effects of a modulated vortex structure on the diffraction dynamics of ring Airy Gaussian beams.

PubMed

Huang, Xianwei; Shi, Xiaohui; Deng, Zhixiang; Bai, Yanfeng; Fu, Xiquan

2017-09-01

The evolution of the ring Airy Gaussian beams with a modulated vortex in free space is numerically investigated. Compared with the unmodulated vortex, the unique property is that the beam spots first break up, and then gather. The evolution of the beams is influenced by the parameters of the vortex modulation, and the splitting phenomenon gets enhanced with multiple rings becoming light spots if the modulation depth increases. The symmetric branch pattern of the beam spots gets changed when the number of phase folds increases, and the initial modulation phase only impacts the angle of the beam spots. Moreover, a large distribution factor correlates to a hollow Gaussian vortex shape and weakens the splitting and gathering trend. By changing the initial parameters of the vortex modulation and the distribution factor, the peak intensity is greatly affected. In addition, the energy flow and the angular momentum are elucidated with the beam evolution features being confirmed.

Unique spin-polarized transmission effects in a QD ring structure

NASA Astrophysics Data System (ADS)

Hedin, Eric; Joe, Yong

2010-10-01

Spintronics is an emerging field in which the spin of the electron is used for switching purposes and to communicate information. In order to obtain spin-polarized electron transmission, the Zeeman effect is employed to produce spin-split energy states in quantum dots which are embedded in the arms of a mesoscopic Aharonov-Bohm (AB) ring heterostructure. The Zeeman splitting of the QD energy levels can be induced by a parallel magnetic field, or by a perpendicular field which also produces AB-effects. The combination of these effects on the transmission resonances of the structure is studied analytically and several parameter regimes are identified which produce a high degree of spin-polarized output. Contour and line plots of the weighted spin polarization as a function of electron energy and magnetic field are presented to visualize the degree of spin-polarization. Taking advantage of these unique parameter regimes shows the potential promise of such devices for producing spin-polarized currents.

Renormalization group approach to symmetry protected topological phases

NASA Astrophysics Data System (ADS)

van Nieuwenburg, Evert P. L.; Schnyder, Andreas P.; Chen, Wei

2018-04-01

A defining feature of a symmetry protected topological phase (SPT) in one dimension is the degeneracy of the Schmidt values for any given bipartition. For the system to go through a topological phase transition separating two SPTs, the Schmidt values must either split or cross at the critical point in order to change their degeneracies. A renormalization group (RG) approach based on this splitting or crossing is proposed, through which we obtain an RG flow that identifies the topological phase transitions in the parameter space. Our approach can be implemented numerically in an efficient manner, for example, using the matrix product state formalism, since only the largest first few Schmidt values need to be calculated with sufficient accuracy. Using several concrete models, we demonstrate that the critical points and fixed points of the RG flow coincide with the maxima and minima of the entanglement entropy, respectively, and the method can serve as a numerically efficient tool to analyze interacting SPTs in the parameter space.

Discrepancies Between Theory and Experiment for Field-Dependence and f-wave Interactions in Superfluid ^3He-B

NASA Astrophysics Data System (ADS)

Collett, C. A.; Pollanen, J.; Li, Jia; Gannon, W. J.; Halperin, W. P.

2012-02-01

We have performed transverse acoustics experiments in superfluid ^3He-B, exploring the magnetic field splitting of the imaginary squashing mode (ISQ), a collective mode of the order parameter labelled by its total angular momentum J=2. We have compared theoretical calculationsootnotetextJ.A. Sauls and J.W. Serene, Phys. Rev. Lett. 49, 1183 (1982). of the Zeeman splitting, g2^-, and its dependence on the strength of f-wave pairing interactions, x3-1, with our recent experimental data, showing unexpected discrepancies. We suggest that the origin of these discrepancies can be traced to limits on the applicability of the theoretical calculations at high magnetic field and at frequencies some distance from the order parameter collective mode. We discuss the analysis done by Davis et al. in light of those limitations.ootnotetextJ.P. Davis et al., Phys. Rev. Lett. 100, 015301 (2008). This work was supported by the National Science Foundation DMR-1103625.

13C-Labeled Gluconate Tracing as a Direct and Accurate Method for Determining the Pentose Phosphate Pathway Split Ratio in Penicillium chrysogenum

PubMed Central

Kleijn, Roelco J.; van Winden, Wouter A.; Ras, Cor; van Gulik, Walter M.; Schipper, Dick; Heijnen, Joseph J.

2006-01-01

In this study we developed a new method for accurately determining the pentose phosphate pathway (PPP) split ratio, an important metabolic parameter in the primary metabolism of a cell. This method is based on simultaneous feeding of unlabeled glucose and trace amounts of [U-13C]gluconate, followed by measurement of the mass isotopomers of the intracellular metabolites surrounding the 6-phosphogluconate node. The gluconate tracer method was used with a penicillin G-producing chemostat culture of the filamentous fungus Penicillium chrysogenum. For comparison, a 13C-labeling-based metabolic flux analysis (MFA) was performed for glycolysis and the PPP of P. chrysogenum. For the first time mass isotopomer measurements of 13C-labeled primary metabolites are reported for P. chrysogenum and used for a 13C-based MFA. Estimation of the PPP split ratio of P. chrysogenum at a growth rate of 0.02 h−1 yielded comparable values for the gluconate tracer method and the 13C-based MFA method, 51.8% and 51.1%, respectively. A sensitivity analysis of the estimated PPP split ratios showed that the 95% confidence interval was almost threefold smaller for the gluconate tracer method than for the 13C-based MFA method (40.0 to 63.5% and 46.0 to 56.5%, respectively). From these results we concluded that the gluconate tracer method permits accurate determination of the PPP split ratio but provides no information about the remaining cellular metabolism, while the 13C-based MFA method permits estimation of multiple fluxes but provides a less accurate estimate of the PPP split ratio. PMID:16820467

Beam splitting of low-contrast binary gratings under second Bragg angle incidence.

PubMed

Zheng, Jiangjun; Zhou, Changhe; Wang, Bo; Feng, Jijun

2008-05-01

Beam splitting of low-contrast rectangular gratings under second Bragg angle incidence is studied. The grating period is between lambda and 2lambda. The diffraction behaviors of the three transmitted propagating orders are illustrated by analyzing the first three propagating grating modes. From a simplified modal approach, the design conditions of gratings as a high-efficiency element with most of its energy concentrated in the -2nd transmitted order (~90%) and of gratings as a 1 x 2 beam splitter with a total efficiency over 90% are derived. The grating parameters for achieving exactly the splitting pattern by use of rigorous coupled-wave analysis verified the design method. A 1 x 3 beam splitter is also demonstrated. Moreover, the polarization-dependent diffraction behaviors are investigated, which suggest the possibility of designing polarization-selective elements under such a configuration. The proposed concept of using the second Bragg angle should be helpful for developing new grating-based devices.

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

NASA Astrophysics Data System (ADS)

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

2014-03-01

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

Mapping the evolving strain field during continental breakup from crustal anisotropy in the Afar Depression

PubMed Central

Keir, Derek; Belachew, M.; Ebinger, C.J.; Kendall, J.-M.; Hammond, J.O.S.; Stuart, G.W.; Ayele, A.; Rowland, J.V.

2011-01-01

Rifting of the continents leading to plate rupture occurs by a combination of mechanical deformation and magma intrusion, yet the spatial and temporal scales over which these alternate mechanisms localize extensional strain remain controversial. Here we quantify anisotropy of the upper crust across the volcanically active Afar Triple Junction using shear-wave splitting from local earthquakes to evaluate the distribution and orientation of strain in a region of continental breakup. The pattern of S-wave splitting in Afar is best explained by anisotropy from deformation-related structures, with the dramatic change in splitting parameters into the rift axis from the increased density of dyke-induced faulting combined with a contribution from oriented melt pockets near volcanic centres. The lack of rift-perpendicular anisotropy in the lithosphere, and corroborating geoscientific evidence of extension dominated by dyking, provide strong evidence that magma intrusion achieves the majority of plate opening in this zone of incipient plate rupture. PMID:21505441

On the occurrence of false positives in tests of migration under an isolation with migration model

PubMed Central

Hey, Jody; Chung, Yujin; Sethuraman, Arun

2015-01-01

The population genetic study of divergence is often done using a Bayesian genealogy sampler, like those implemented in IMa2 and related programs, and these analyses frequently include a likelihood-ratio test of the null hypothesis of no migration between populations. Cruickshank and Hahn (2014, Molecular Ecology, 23, 3133–3157) recently reported a high rate of false positive test results with IMa2 for data simulated with small numbers of loci under models with no migration and recent splitting times. We confirm these findings and discover that they are caused by a failure of the assumptions underlying likelihood ratio tests that arises when using marginal likelihoods for a subset of model parameters. We also show that for small data sets, with little divergence between samples from two populations, an excellent fit can often be found by a model with a low migration rate and recent splitting time and a model with a high migration rate and a deep splitting time. PMID:26456794

A state interaction spin-orbit coupling density matrix renormalization group method

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

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

We describe a state interaction spin-orbit (SISO) coupling method using density matrix renormalization group (DMRG) wavefunctions and the spin-orbit mean-field (SOMF) operator. We implement our DMRG-SISO scheme using a spin-adapted algorithm that computes transition density matrices between arbitrary matrix product states. To demonstrate the potential of the DMRG-SISO scheme we present accurate benchmark calculations for the zero-field splitting of the copper and gold atoms, comparing to earlier complete active space self-consistent-field and second-order complete active space perturbation theory results in the same basis. We also compute the effects of spin-orbit coupling on the spin-ladder of the iron-sulfur dimer complex [Fe{submore » 2}S{sub 2}(SCH{sub 3}){sub 4}]{sup 3−}, determining the splitting of the lowest quartet and sextet states. We find that the magnitude of the zero-field splitting for the higher quartet and sextet states approaches a significant fraction of the Heisenberg exchange parameter.« less

Spin polarization of {sup 87}Rb atoms with ultranarrow linewidth diode laser: Numerical simulation

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

Wang, Z. G.; Interdisciplinary Center of Quantum Information, National University of Defense Technology, Changsha, 410073; College of Science, National University of Defense Technology, Changsha, 410073

2016-08-15

In order to polarize {sup 87}Rb vapor effectively with ultranarrow linewidth diode laser, we studied the polarization as a function of some parameters including buffer gas pressure and laser power. Moreover, we also discussed the methods which split or modulate the diode laser frequency so as to pump the two ground hyperfine levels efficiently. We obtained some useful results through numerical simulation. If the buffer gas pressure is so high that the hyperfine structure is unresolved, the polarization is insensitive to laser frequency at peak absorption point so frequency splitting and frequency modulation methods do not show improvement. At lowmore » pressure and laser power large enough, where the hyperfine structure is clearly resolved, frequency splitting and frequency modulation methods can increase polarization effectively. For laser diodes, frequency modulation is easily realized with current modulation, so this method is attractive since it does not add any other components in the pumping laser system.« less

Photocatalytic hydrogen generation from hydriodic acid using methylammonium lead iodide in dynamic equilibrium with aqueous solution

NASA Astrophysics Data System (ADS)

Park, Sunghak; Chang, Woo Je; Lee, Chan Woo; Park, Sangbaek; Ahn, Hyo-Yong; Nam, Ki Tae

2017-01-01

The solar-driven splitting of hydrohalic acids (HX) is an important and fast growing research direction for H2 production. In addition to the hydrogen, the resulting chemicals (X2/X3-) can be used to propagate a continuous process in a closed cycle and are themselves useful products. Here we present a strategy for photocatalytic hydrogen iodide (HI) splitting using methylammonium lead iodide (MAPbI3) in an effort to develop a cost-effective and easily scalable process. Considering that MAPbI3 is a water-soluble ionic compound, we exploit the dynamic equilibrium of the dissolution and precipitation of MAPbI3 in saturated aqueous solutions. The I- and H+ concentrations of the aqueous solution are determined to be the critical parameters for the stabilization of the tetragonal MAPbI3 phase. Stable and efficient H2 production under visible light irradiation was demonstrated. The solar HI splitting efficiency of MAPbI3 was 0.81% when using Pt as a cocatalyst.

First-order symmetry-adapted perturbation theory for multiplet splittings.

PubMed

Patkowski, Konrad; Żuchowski, Piotr S; Smith, Daniel G A

2018-04-28

We present a symmetry-adapted perturbation theory (SAPT) for the interaction of two high-spin open-shell molecules (described by their restricted open-shell Hartree-Fock determinants) resulting in low-spin states of the complex. The previously available SAPT formalisms, except for some system-specific studies for few-electron complexes, were restricted to the high-spin state of the interacting system. Thus, the new approach provides, for the first time, a SAPT-based estimate of the splittings between different spin states of the complex. We have derived and implemented the lowest-order SAPT term responsible for these splittings, that is, the first-order exchange energy. We show that within the so-called S 2 approximation commonly used in SAPT (neglecting effects that vanish as fourth or higher powers of intermolecular overlap integrals), the first-order exchange energies for all multiplets are linear combinations of two matrix elements: a diagonal exchange term that determines the spin-averaged effect and a spin-flip term responsible for the splittings between the states. The numerical factors in this linear combination are determined solely by the Clebsch-Gordan coefficients: accordingly, the S 2 approximation implies a Heisenberg Hamiltonian picture with a single coupling strength parameter determining all the splittings. The new approach is cast into both molecular-orbital and atomic-orbital expressions: the latter enable an efficient density-fitted implementation. We test the newly developed formalism on several open-shell complexes ranging from diatomic systems (Li⋯H, Mn⋯Mn, …) to the phenalenyl dimer.

First-order symmetry-adapted perturbation theory for multiplet splittings

NASA Astrophysics Data System (ADS)

Patkowski, Konrad; Żuchowski, Piotr S.; Smith, Daniel G. A.

2018-04-01

We present a symmetry-adapted perturbation theory (SAPT) for the interaction of two high-spin open-shell molecules (described by their restricted open-shell Hartree-Fock determinants) resulting in low-spin states of the complex. The previously available SAPT formalisms, except for some system-specific studies for few-electron complexes, were restricted to the high-spin state of the interacting system. Thus, the new approach provides, for the first time, a SAPT-based estimate of the splittings between different spin states of the complex. We have derived and implemented the lowest-order SAPT term responsible for these splittings, that is, the first-order exchange energy. We show that within the so-called S2 approximation commonly used in SAPT (neglecting effects that vanish as fourth or higher powers of intermolecular overlap integrals), the first-order exchange energies for all multiplets are linear combinations of two matrix elements: a diagonal exchange term that determines the spin-averaged effect and a spin-flip term responsible for the splittings between the states. The numerical factors in this linear combination are determined solely by the Clebsch-Gordan coefficients: accordingly, the S2 approximation implies a Heisenberg Hamiltonian picture with a single coupling strength parameter determining all the splittings. The new approach is cast into both molecular-orbital and atomic-orbital expressions: the latter enable an efficient density-fitted implementation. We test the newly developed formalism on several open-shell complexes ranging from diatomic systems (Li⋯H, Mn⋯Mn, …) to the phenalenyl dimer.

Plantar tactile perturbations enhance transfer of split-belt locomotor adaptation

PubMed Central

Mukherjee, Mukul; Eikema, Diderik Jan A.; Chien, Jung Hung; Myers, Sara A.; Scott-Pandorf, Melissa; Bloomberg, Jacob J.; Stergiou, Nicholas

2015-01-01

Patterns of human locomotion are highly adaptive and flexible, and depend on the environmental context. Locomotor adaptation requires the use of multisensory information to perceive altered environmental dynamics and generate an appropriate movement pattern. In this study, we investigated the use of multisensory information during locomotor learning. Proprioceptive perturbations were induced by vibrating tactors, placed bilaterally over the plantar surfaces. Under these altered sensory conditions, participants were asked to perform a split-belt locomotor task representative of motor learning. Twenty healthy young participants were separated into two groups: no-tactors (NT) and tactors (TC). All participants performed an overground walking trial, followed by treadmill walking including 18 minutes of split-belt adaptation and an overground trial to determine transfer effects. Interlimb coordination was quantified by symmetry indices and analyzed using mixed repeated measures ANOVAs. Both groups adapted to the locomotor task, indicated by significant reductions in gait symmetry during the split-belt task. No significant group differences in spatiotemporal and kinetic parameters were observed on the treadmill. However, significant groups differences were observed overground. Step and swing time asymmetries learned on the split belt treadmill, were retained and decayed more slowly overground in the TC group whereas in NT, asymmetries were rapidly lost. These results suggest that tactile stimulation contributed to increased lower limb proprioceptive gain. High proprioceptive gain allows for more persistent overground after-effects, at the cost of reduced adaptability. Such persistence may be utilized in populations displaying pathologic asymmetric gait by retraining a more symmetric pattern. PMID:26169104

Application of kinetic flux vector splitting scheme for solving multi-dimensional hydrodynamical models of semiconductor devices

NASA Astrophysics Data System (ADS)

Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul

In this article, one and two-dimensional hydrodynamical models of semiconductor devices are numerically investigated. The models treat the propagation of electrons in a semiconductor device as the flow of a charged compressible fluid. It plays an important role in predicting the behavior of electron flow in semiconductor devices. Mathematically, the governing equations form a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the kinetic flux-vector splitting (KFVS) method for the hyperbolic step, and a semi-implicit Runge-Kutta method for the relaxation step. The KFVS method is based on the direct splitting of macroscopic flux functions of the system on the cell interfaces. The second order accuracy of the scheme is achieved by using MUSCL-type initial reconstruction and Runge-Kutta time stepping method. Several case studies are considered. For validation, the results of current scheme are compared with those obtained from the splitting scheme based on the NT central scheme. The effects of various parameters such as low field mobility, device length, lattice temperature and voltage are analyzed. The accuracy, efficiency and simplicity of the proposed KFVS scheme validates its generic applicability to the given model equations. A two dimensional simulation is also performed by KFVS method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.

Plantar tactile perturbations enhance transfer of split-belt locomotor adaptation.

PubMed

Mukherjee, Mukul; Eikema, Diderik Jan A; Chien, Jung Hung; Myers, Sara A; Scott-Pandorf, Melissa; Bloomberg, Jacob J; Stergiou, Nicholas

2015-10-01

Patterns of human locomotion are highly adaptive and flexible and depend on the environmental context. Locomotor adaptation requires the use of multisensory information to perceive altered environmental dynamics and generate an appropriate movement pattern. In this study, we investigated the use of multisensory information during locomotor learning. Proprioceptive perturbations were induced by vibrating tactors, placed bilaterally over the plantar surfaces. Under these altered sensory conditions, participants were asked to perform a split-belt locomotor task representative of motor learning. Twenty healthy young participants were separated into two groups: no-tactors (NT) and tactors (TC). All participants performed an overground walking trial, followed by treadmill walking including 18 min of split-belt adaptation and an overground trial to determine transfer effects. Interlimb coordination was quantified by symmetry indices and analyzed using mixed repeated-measures ANOVAs. Both groups adapted to the locomotor task, indicated by significant reductions in gait symmetry during the split-belt task. No significant group differences in spatiotemporal and kinetic parameters were observed on the treadmill. However, significant group differences were observed overground. Step and swing time asymmetries learned on the split-belt treadmill were retained and decayed more slowly overground in the TC group whereas in NT, asymmetries were rapidly lost. These results suggest that tactile stimulation contributed to increased lower limb proprioceptive gain. High proprioceptive gain allows for more persistent overground after effects, at the cost of reduced adaptability. Such persistence may be utilized in populations displaying pathologic asymmetric gait by retraining a more symmetric pattern.

Quantification of rat retinal growth and vascular population changes after single and split doses of proton irradiation: translational study using stereology methods

NASA Technical Reports Server (NTRS)

Mao, Xiao W.; Archambeau, John O.; Kubinova, Lucie; Boyle, Soames; Petersen, Georgia; Grove, Roger; Nelson, G. A. (Principal Investigator)

2003-01-01

This study quantified architectural and population changes in the rat retinal vasculature after proton irradiation using stereology. A 100 MeV conformal proton beam delivered 8, 14, 20 and 28 Gy as single and split doses to the whole eye. The vascular networks were prepared from retinal digests. Stereological methods were used to obtain the area of the retina and unbiased estimates of microvessel/artery/vein endothelial, pericyte and smooth muscle population, and vessel length. The retinal area increased progressively in the unirradiated, age-matched controls and in the retinas irradiated with 8 and 14 Gy, indicating uniform progressive retinal growth. No growth occurred after 20 and 28 Gy. Regression analysis of total endothelial cell number in all vessels (arteries, veins and capillaries) after irradiation documented a progressive time- and dose-dependent cell loss occurring over 15 to 24 months. The difference from controls was significant (P<0.01) after 28 Gy given in single and split doses and after 20 Gy given as a split dose (P<0.05). Total vessel length in microvessel was significantly shortened at 20 and 28 Gy compared to that of controls (P<0.05). No evident dose recovery was observed in the endothelial populations after split doses. At 10 Gy, the rate of endothelial cell loss, a dose parameter used to characterize the time- and dose-dependent loss of the endothelial population, was doubled.

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Polarisation splitting of laser beams by large angles with minimal reflection losses

NASA Astrophysics Data System (ADS)

Davydov, B. L.

2006-05-01

New crystal anisotropic prisms for splitting orthogonally polarised components of laser radiation by large angles with minimal reflection losses caused by the Brewster refraction and total internal reflection of polarised waves from the crystal—air interface are considered and the method for their calculation is described. It is shown that, by assembling glue-free combinations of two or three prisms, thermally stable beamsplitters can be fabricated, which are free from the beam astigmatism and the wave dispersion of the output angles of the beams. The parameters and properties of new beamsplitters are presented in a convenient form in figures and tables.

A survey of catfish pond water chemistry parameters for copper toxicity modelling

USDA-ARS?s Scientific Manuscript database

Water samples were collected from 20 catfish ponds in 2015 to obtain data useful in predicting copper toxicity and chemical behavior. Ponds were located in major catfish producing areas of west Alabama, east Arkansas, and Mississippi. Pond types included traditional levee ponds, split-ponds, water...

An algorithm for variational data assimilation of contact concentration measurements for atmospheric chemistry models

NASA Astrophysics Data System (ADS)

Penenko, Alexey; Penenko, Vladimir

2014-05-01

Contact concentration measurement data assimilation problem is considered for convection-diffusion-reaction models originating from the atmospheric chemistry study. High dimensionality of models imposes strict requirements on the computational efficiency of the algorithms. Data assimilation is carried out within the variation approach on a single time step of the approximated model. A control function is introduced into the source term of the model to provide flexibility for data assimilation. This function is evaluated as the minimum of the target functional that connects its norm to a misfit between measured and model-simulated data. In the case mathematical model acts as a natural Tikhonov regularizer for the ill-posed measurement data inversion problem. This provides flow-dependent and physically-plausible structure of the resulting analysis and reduces a need to calculate model error covariance matrices that are sought within conventional approach to data assimilation. The advantage comes at the cost of the adjoint problem solution. This issue is solved within the frameworks of splitting-based realization of the basic convection-diffusion-reaction model. The model is split with respect to physical processes and spatial variables. A contact measurement data is assimilated on each one-dimensional convection-diffusion splitting stage. In this case a computationally-efficient direct scheme for both direct and adjoint problem solution can be constructed based on the matrix sweep method. Data assimilation (or regularization) parameter that regulates ratio between model and data in the resulting analysis is obtained with Morozov discrepancy principle. For the proper performance the algorithm takes measurement noise estimation. In the case of Gaussian errors the probability that the used Chi-squared-based estimate is the upper one acts as the assimilation parameter. A solution obtained can be used as the initial guess for data assimilation algorithms that assimilate outside the splitting stages and involve iterations. Splitting method stage that is responsible for chemical transformation processes is realized with the explicit discrete-analytical scheme with respect to time. The scheme is based on analytical extraction of the exponential terms from the solution. This provides unconditional positive sign for the evaluated concentrations. Splitting-based structure of the algorithm provides means for efficient parallel realization. The work is partially supported by the Programs No 4 of Presidium RAS and No 3 of Mathematical Department of RAS, by RFBR project 11-01-00187 and Integrating projects of SD RAS No 8 and 35. Our studies are in the line with the goals of COST Action ES1004.

Model validations for low-global warming potential refrigerants in mini-split air-conditioning units

DOE PAGES

Shen, Bo; Shrestha, Som; Abdelaziz, Omar

2016-09-02

To identify low GWP (global warming potential) refrigerants to replace R-22 and R-410A, extensive experimental evaluations were conducted for multiple candidates of refrigerant at the standard test conditions and at high-ambient conditions with outdoor temperature varying from 27.8 C to 55.0 C.. In the study, R-22 was compared to propane (R-290), DR-3, ARM-20B, N-20B and R-444B in a mini-split air conditioning unit originally designed for R-22; R-410A was compared to R-32, DR-55, ARM-71A, L41-2 (R-447A) in a mini-split unit designed for R-410A. To reveal physics behind the measured performance results, thermodynamic properties of the alternative refrigerants were analysed. In addition,more » the experimental data was used to calibrate a physics-based equipment model, i.e. ORNL Heat Pump Design Model (HPDM). The calibrated model translated the experimental results to key calculated parameters, i.e. compressor efficiencies, refrigerant side two-phase heat transfer coefficients, corresponding to each refrigerant. As a result, these calculated values provide scientific insights on the performance of the alternative refrigerants and are useful for other applications beyond mini-split air conditioning units.« less

Theory of chaos regularization of tunneling in chaotic quantum dots.

PubMed

Lee, Ming-Jer; Antonsen, Thomas M; Ott, Edward; Pecora, Louis M

2012-11-01

Recent numerical experiments of Pecora et al. [Phys. Rev. E 83, 065201 (2011)] have investigated tunneling between two-dimensional symmetric double wells separated by a tunneling barrier. The wells were bounded by hard walls and by the potential barrier which was created by a step increase from the zero potential within a well to a uniform barrier potential within the barrier region, which is a situation potentially realizable in the context of quantum dots. Numerical results for the splitting of energy levels between symmetric and antisymmetric eigenstates were calculated. It was found that the splittings vary erratically from state to state, and the statistics of these variations were studied for different well shapes with the fluctuation levels being much less in chaotic wells than in comparable nonchaotic wells. Here we develop a quantitative theory for the statistics of the energy level splittings for chaotic wells. Our theory is based on the random plane wave hypothesis of Berry. While the fluctuation statistics are very different for chaotic and nonchaotic well dynamics, we show that the mean splittings of differently shaped wells, including integrable and chaotic wells, are the same if their well areas and barrier parameters are the same. We also consider the case of tunneling from a single well into a region with outgoing quantum waves.

Stripline split-ring resonator with integrated optogalvanic sample cell

NASA Astrophysics Data System (ADS)

Persson, Anders; Berglund, Martin; Thornell, Greger; Possnert, Göran; Salehpour, Mehran

2014-04-01

Intracavity optogalvanic spectroscopy (ICOGS) has been proposed as a method for unambiguous detection of rare isotopes. Of particular interest is 14C, where detection of extremely low concentrations in the 1:1015 range (14C: 12C), is of interest in, e.g., radiocarbon dating and pharmaceutical sciences. However, recent reports show that ICOGS suffers from substantial problems with reproducibility. To qualify ICOGS as an analytical method, more stable and reliable plasma generation and signal detection are needed. In our proposed setup, critical parameters have been improved. We have utilized a stripline split-ring resonator microwave-induced microplasma source to excite and sustain the plasma. Such a microplasma source offers several advantages over conventional ICOGS plasma sources. For example, the stripline split-ring resonator concept employs separated plasma generation and signal detection, which enables sensitive detection at stable plasma conditions. The concept also permits in situ observation of the discharge conditions, which was found to improve reproducibility. Unique to the stripline split-ring resonator microplasma source in this study, is that the optogalvanic sample cell has been embedded in the device itself. This integration enables improved temperature control and more stable and accurate signal detection. Significant improvements are demonstrated, including reproducibility, signal-to-noise ratio, and precision.

Modeling the lowest-cost splitting of a herd of cows by optimizing a cost function

NASA Astrophysics Data System (ADS)

Gajamannage, Kelum; Bollt, Erik M.; Porter, Mason A.; Dawkins, Marian S.

2017-06-01

Animals live in groups to defend against predation and to obtain food. However, for some animals—especially ones that spend long periods of time feeding—there are costs if a group chooses to move on before their nutritional needs are satisfied. If the conflict between feeding and keeping up with a group becomes too large, it may be advantageous for some groups of animals to split into subgroups with similar nutritional needs. We model the costs and benefits of splitting in a herd of cows using a cost function that quantifies individual variation in hunger, desire to lie down, and predation risk. We model the costs associated with hunger and lying desire as the standard deviations of individuals within a group, and we model predation risk as an inverse exponential function of the group size. We minimize the cost function over all plausible groups that can arise from a given herd and study the dynamics of group splitting. We examine how the cow dynamics and cost function depend on the parameters in the model and consider two biologically-motivated examples: (1) group switching and group fission in a herd of relatively homogeneous cows, and (2) a herd with an equal number of adult males (larger animals) and adult females (smaller animals).

Model validations for low-global warming potential refrigerants in mini-split air-conditioning units

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

Shen, Bo; Shrestha, Som; Abdelaziz, Omar

To identify low GWP (global warming potential) refrigerants to replace R-22 and R-410A, extensive experimental evaluations were conducted for multiple candidates of refrigerant at the standard test conditions and at high-ambient conditions with outdoor temperature varying from 27.8 C to 55.0 C.. In the study, R-22 was compared to propane (R-290), DR-3, ARM-20B, N-20B and R-444B in a mini-split air conditioning unit originally designed for R-22; R-410A was compared to R-32, DR-55, ARM-71A, L41-2 (R-447A) in a mini-split unit designed for R-410A. To reveal physics behind the measured performance results, thermodynamic properties of the alternative refrigerants were analysed. In addition,more » the experimental data was used to calibrate a physics-based equipment model, i.e. ORNL Heat Pump Design Model (HPDM). The calibrated model translated the experimental results to key calculated parameters, i.e. compressor efficiencies, refrigerant side two-phase heat transfer coefficients, corresponding to each refrigerant. As a result, these calculated values provide scientific insights on the performance of the alternative refrigerants and are useful for other applications beyond mini-split air conditioning units.« less

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

Solomatova, Natalia V.; Jackson, Jennifer M.; Sturhahn, Wolfgang

The physical properties of silicate melts within Earth's mantle affect the chemical and thermal evolution of its interior. Chemistry and coordination environments affect such properties. We have measured the hyperfine parameters of iron-bearing rhyolitic and basaltic glasses up to ~120 GPa and ~100 GPa, respectively, in a neon pressure medium using time domain synchrotron Mössbauer spectroscopy. The spectra for rhyolitic and basaltic glasses are well explained by three high-spin Fe2+-like sites with distinct quadrupole splittings. Absence of detectable ferric iron was confirmed with optical absorption spectroscopy. The sites with relatively high and intermediate quadrupole splittings are likely a result ofmore » fivefold and sixfold coordination environments of ferrous iron that transition to higher coordination with increasing pressure. The ferrous site with a relatively low quadrupole splitting and isomer shift at low pressures may be related to a fourfold or a second fivefold ferrous iron site, which transitions to higher coordination in basaltic glass, but likely remains in low coordination in rhyolitic glass. These results indicate that iron experiences changes in its coordination environment with increasing pressure without undergoing a high-spin to low-spin transition. We compare our results to the hyperfine parameters of silicate glasses of different compositions. With the assumption that coordination environments in silicate glasses may serve as a good indicator for those in a melt, this study suggests that ferrous iron in chemically complex silicate melts likely exists in a high-spin state throughout most of Earth's mantle.« less

Mantle seismic anisotropy beneath NE China and implications for the lithospheric delamination hypothesis beneath the southern Great Xing'an range

NASA Astrophysics Data System (ADS)

Chen, Haichao; Niu, Fenglin; Obayashi, Masayuki; Grand, Stephen P.; Kawakatsu, Hitoshi; John Chen, Y.; Ning, Jieyuan; Tanaka, Satoru

2017-08-01

We measured shear wave splitting from SKS data recorded by the transcontinental NECESSArray in NE China to constrain lithosphere deformation and sublithospheric flows beneath the area. We selected several hundreds of high quality SKS/SKKS waveforms from 32 teleseismic earthquakes occurring between 09/01/2009 and 08/31/2011 recorded by 125 broadband stations. These stations cover a variety of tectonic terranes, including the Songliao basin, the Changbaishan mountain range and Zhangguancai range in the east, the Great Xing'an range in the west and the Yanshan orogenic belt in the southwest. We assumed each station is underlaid by a single anisotropic layer and employed a signal-to-noise ratio (SNR) weighted multi-event stacking method to estimate the two splitting parameters (the fast polarization direction φ, and delay time, δt) that gives the best fit to all the SKS/SKKS waveforms recorded at each station. Overall, the measured fast polarization direction lies more or less along the NW-SE direction, which significantly differs from the absolute plate motion direction, but is roughly consistent with the regional extension direction. This suggests that lithosphere deformation is likely the general cause of the observed seismic anisotropy. The most complicated anisotropic structure is observed beneath the southern Great Xing'an range and southwest Songliao basin. The observed large variations in splitting parameters and the seismic tomographic images of the area are consistent with ongoing lithospheric delamination beneath this region.

Electron spin resonance investigations of /sup 11/B/sup 12/C, /sup 11/B/sup 13/C, and /sup 10/B/sup 12/C in neon, argon, and krypton matrices at 4 K: Comparison with theoretical results

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

Knight L.B. Jr.; Cobranchi, S.T.; Petty, J.T.

1989-01-15

The first spectroscopic study of the diatomic radical BC is reported which confirms previous theoretical predictions of a /sup 4/summation/sup -/ electronic ground state. The nuclear hyperfine interactions (A tensors) obtained for /sup 11/B, /sup 10/B, and /sup 13/C from the electron spin resonance (ESR) measurements are compared with extensive ab initio CI calculations. The BC molecule is one of the first examples of a small high spin radical for such an in-depth experimental--theoretical comparison. The electronic structure of BC obtained from an analysis of the nuclear hyperfine interaction (hfi) is compared to that obtained from a Mulliken-type population analysismore » conducted on a CI wave function which yields A/sub iso/ and A/sub dip/ results in good agreement with the observed values. The BC radical was generated by the laser vaporization of a boron--carbon mixture and trapped in neon, argon, and krypton matrices at 4 K for a complete ESR characterization. The magnetic parameters (MHz) obtained for /sup 11/B/sup 13/C in solid neon are: g/sub parallel/ = 2.0015(3); g/sub perpendicular/ = 2.0020(3); D(zfs) = 1701(2); /sup 11/B: chemically bondA/sub parallel/chemically bond = 100(1); chemically bondA/sub perpendicular/chemically bond = 79(1); /sup 13/C: chemically bondA/sub parallel/chemically bond = 5(2) and chemically bondA/sub perpendicular/chemically bond = 15(1). Based on comparison with the theoretical results, the most likely choice of signs is that all A values are positive.« less

Distributed traffic signal control using fuzzy logic

NASA Technical Reports Server (NTRS)

Chiu, Stephen

1992-01-01

We present a distributed approach to traffic signal control, where the signal timing parameters at a given intersection are adjusted as functions of the local traffic condition and of the signal timing parameters at adjacent intersections. Thus, the signal timing parameters evolve dynamically using only local information to improve traffic flow. This distributed approach provides for a fault-tolerant, highly responsive traffic management system. The signal timing at an intersection is defined by three parameters: cycle time, phase split, and offset. We use fuzzy decision rules to adjust these three parameters based only on local information. The amount of change in the timing parameters during each cycle is limited to a small fraction of the current parameters to ensure smooth transition. We show the effectiveness of this method through simulation of the traffic flow in a network of controlled intersections.

Search for Sterile Neutrinos with the MINOS Long-Baseline Experiment

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

Timmons, Ashley Michael

This thesis will present a search for sterile neutrinos using data taken with the MINOS experiment between 2005 and 2012. MINOS is a two-detector on-axis experiment based at Fermilab. The NuMI neutrino beam encounters the MINOS Near Detector 1km downstream of the neutrino-production target before traveling a further 734km through the Earth's crust, to reach the Far Detector located at the Soudan Underground Laboratory in Northern Minnesota. By searching for oscillations driven by a large mass splitting, MINOS is sensitive to the existence of sterile neutrinos through looking for any energy-dependent perturbations using a charged-current sample, as well as looking at any relative deficit in neutral current events between the Far and Near Detectors. This thesis will discuss the novel analysis that enabled a search for sterile neutrinos covering five orders of magnitude in the mass splitting and setting a limit in previously unexplored regions of the parameter spacemore » $$\\left\\{\\Delta m^{2}_{41},\\sin^2\\theta_{24}\\right\\}$$, where a 3+1-flavour phenomenological model was used to extract parameter limits. The results presented in this thesis are sensitive to the sterile neutrino parameter space suggested by the LSND and MiniBooNE experiments.« less

Observation of electromagnetically induced transparency and absorption in Yttrium Iron Garnet loaded split ring resonator

NASA Astrophysics Data System (ADS)

Tay, Z. J.; Soh, W. T.; Ong, C. K.

2018-04-01

In this paper, we propose a new method of controlling microwave transmission from Electromagnetically Induced Absorption (EIA) to Electromagnetically Induced Transparency (EIT). EIA describes the state where the system strongly absorbs microwaves, whereas EIT describes the state in which the system is transparent to microwaves. Control is achieved via coupling of the 3 GHz photon mode of a metamaterial Split Ring Resonator (SRR) to the spin wave magnon modes of a Yttrium Iron Garnet (YIG) bulk. The system is described by a 2-body interaction matrix with an additional fitting parameter τ which takes into account the fact that the microstrip feed line could excite the SRR as well as the YIG. The parameter τ reveals the effect of geometry and shielding on the coupling behaviour and gives rise to unique physics. In low τ (τ ⩽ 2) configurations, only EIT is reported. However, in high τ (τ ≈ 10) configurations, EIA is reported. Furthermore, we report that the system can be easily changed from a low τ to high τ configuration by shielding the SRR from the microstrip with a thin metal piece. Varying the τ parameter through shielding is thus proposed as a new method of controlling the microwave transmission at the coupling region.

Impact parameter smearing effects on isospin sensitive observables in heavy ion collisions

NASA Astrophysics Data System (ADS)

Li, Li; Zhang, Yingxun; Li, Zhuxia; Wang, Nan; Cui, Ying; Winkelbauer, Jack

2018-04-01

The validity of impact parameter estimation from the multiplicity of charged particles at low-intermediate energies is checked within the framework of the improved quantum molecular dynamics model. The simulations show that the multiplicity of charged particles cannot estimate the impact parameter of heavy ion collisions very well, especially for central collisions at the beam energies lower than ˜70 MeV/u due to the large fluctuations of the multiplicity of charged particles. The simulation results for the central collisions defined by the charged particle multiplicity are compared to those by using impact parameter b =2 fm and it shows that the charge distribution for 112Sn+112Sn at the beam energy of 50 MeV/u is different evidently for two cases; and the chosen isospin sensitive observable, the coalescence invariant single neutron to proton yield ratio, reduces less than 15% for neutron-rich systems Sn,132124+124Sn at Ebeam=50 MeV/u, while the coalescence invariant double neutron to proton yield ratio does not have obvious difference. The sensitivity of the chosen isospin sensitive observables to effective mass splitting is studied for central collisions defined by the multiplicity of charged particles. Our results show that the sensitivity is enhanced for 132Sn+124Sn relative to that for 124Sn+124Sn , and this reaction system should be measured in future experiments to study the effective mass splitting by heavy ion collisions.

Photocatalytic water splitting over titania supported copper and nickel oxide in photoelectrochemical cell; optimization of photoconversion efficiency

NASA Astrophysics Data System (ADS)

Muti Mohamed, Norani; Bashiri, Robabeh; Kait, Chong Fai; Sufian, Suriati

2018-04-01

we investigated the influence of fluctuating the preparation variables of TiO2 on the efficiency of photocatalytic water splitting in photoelectrochemical (PEC) cell. Hydrothermal associated sol-gel technique was applied to synthesis modified TiO2 with nickel and copper oxide. The variation of water (mL), acid (mL) and total metal loading (%) were mathematically modelled using central composite design (CCD) from the response surface method (RSM) to explore the single and combined effects of parameters on the system performance. The experimental data were fitted using quadratic polynomial regression model from analysis of variance (ANOVA). The coefficient of determination value of 98% confirms the linear relationship between the experimental and predicted values. The amount of water had maximum effect on the photoconversion efficiency due to a direct effect on the crystalline and the number of defects on the surface of photocatalyst. The optimal parameter ratios with maximum photoconversion efficiency were 16 mL, 3 mL and 5 % for water, acid and total metal loading, respectively.

A Robust and Fast Method to Compute Shallow States without Adjustable Parameters: Simulations for a Silicon-Based Qubit

NASA Astrophysics Data System (ADS)

Debernardi, Alberto; Fanciulli, Marco

Within the framework of the envelope function approximation we have computed - without adjustable parameters and with a reduced computational effort due to analytical expression of relevant Hamiltonian terms - the energy levels of the shallow P impurity in silicon and the hyperfine and superhyperfine splitting of the ground state. We have studied the dependence of these quantities on the applied external electric field along the [001] direction. Our results reproduce correctly the experimental splitting of the impurity ground states detected at zero electric field and provide reliable predictions for values of the field where experimental data are lacking. Further, we have studied the effect of confinement of a shallow state of a P atom at the center of a spherical Si-nanocrystal embedded in a SiO2 matrix. In our simulations the valley-orbit interaction of a realistically screened Coulomb potential and of the core potential are included exactly, within the numerical accuracy due to the use of a finite basis set, while band-anisotropy effects are taken into account within the effective-mass approximation.

Image splitting and remapping method for radiological image compression

NASA Astrophysics Data System (ADS)

Lo, Shih-Chung B.; Shen, Ellen L.; Mun, Seong K.

1990-07-01

A new decomposition method using image splitting and gray-level remapping has been proposed for image compression, particularly for images with high contrast resolution. The effects of this method are especially evident in our radiological image compression study. In our experiments, we tested the impact of this decomposition method on image compression by employing it with two coding techniques on a set of clinically used CT images and several laser film digitized chest radiographs. One of the compression techniques used was full-frame bit-allocation in the discrete cosine transform domain, which has been proven to be an effective technique for radiological image compression. The other compression technique used was vector quantization with pruned tree-structured encoding, which through recent research has also been found to produce a low mean-square-error and a high compression ratio. The parameters we used in this study were mean-square-error and the bit rate required for the compressed file. In addition to these parameters, the difference between the original and reconstructed images will be presented so that the specific artifacts generated by both techniques can be discerned by visual perception.

[Hand surgery in the German DRG System 2007].

PubMed

Franz, D; Windolf, J; Kaufmann, M; Siebert, C H; Roeder, N

2007-05-01

Hand surgery often needs only a short length of stay in hospital. Patients' comorbidity is low. Many hand surgery procedures do not need inpatient structures. Up until 2006 special procedures of hand surgery could not be coded. The DRG structure did not separate very complex and less complex operations. Specialized hospitals needed a proper case allocation of their patients within the G-DRG system. The DRG structure concerning hand surgery increased in version 2007 of the G-DRG system. The main parameter of DRG splitting is the complexity of the operation. Furthermore additional criteria such as more than one significant OR procedure, the patients' age, or special diagnoses influence case allocation. A special OPS code for complex cases treated with hand surgery was implemented. The changes in the DRG structure and the implementation of the new OPS code for complex cases establish a strong basis for the identification of different patient costs. Different case allocation leads to different economic impacts on departments of hand surgery. Whether the new OPS code becomes a DRG splitting parameter has to be calculated by the German DRG Institute for further DRG versions.

Labyrinth double split open loop resonator based bandpass filter design for S, C and X-band application

NASA Astrophysics Data System (ADS)

Alam, Jubaer; Faruque, Mohammad Rashed Iqbal; Tariqul Islam, Mohammad

2018-07-01

Nested circular shaped Labyrinth double split open loop resonators (OLRs) are introduced in this article to design a triple bandpass filter for 3.01 GHz, 7.39 GHz and 12.88 GHz applications. A Rogers RT-5880 is used as a substrate to design the proposed passband filter which has a succinct structure where the attainment of the resonator is explored both integrally and experimentally. The same structure is designed on both sides of the substrate and an analysis is made on the current distribution. Based on the proposed resonator, a bandpass filter is designed and fabricated to justify the perception focusing on 3.01 GHz, 7.39 GHz and 12.88 GHz. It has also been observed by the Nicolson–Ross–Weir approach at the filtering frequencies. The effective electromagnetic parameters retrieved from the simulation of the S-parameters imply that the OLR metamaterial filter shows negative refraction bands. Having an auspicious design and double negative characteristics, this structure is suitable for triple passband filters, particularly for S, C and X-band applications.

Chimeras in leaky integrate-and-fire neural networks: effects of reflecting connectivities

NASA Astrophysics Data System (ADS)

Tsigkri-DeSmedt, Nefeli Dimitra; Hizanidis, Johanne; Schöll, Eckehard; Hövel, Philipp; Provata, Astero

2017-07-01

The effects of attracting-nonlocal and reflecting connectivity are investigated in coupled Leaky Integrate-and-Fire (LIF) elements, which model the exchange of electrical signals between neurons. Earlier investigations have demonstrated that repulsive-nonlocal and hierarchical network connectivity can induce complex synchronization patterns and chimera states in systems of coupled oscillators. In the LIF system we show that if the elements are nonlocally linked with positive diffusive coupling on a ring network, the system splits into a number of alternating domains. Half of these domains contain elements whose potential stays near the threshold and they are interrupted by active domains where the elements perform regular LIF oscillations. The active domains travel along the ring with constant velocity, depending on the system parameters. When we introduce reflecting coupling in LIF networks unexpected complex spatio-temporal structures arise. For relatively extensive ranges of parameter values, the system splits into two coexisting domains: one where all elements stay near the threshold and one where incoherent states develop, characterized by multi-leveled mean phase velocity profiles.

Ferromagnetic coupled mu-phenoxo-mu-carboxylato heterodinuclear complexes based on the Cr(salen) moiety: structural and magnetic characterization.

PubMed

Alborés, Pablo; Seeman, Johanna; Rentschler, Eva

2009-10-07

The synthesis, crystal structure, and magneto-chemical characterization of two new unprecedented -phenoxo--carboxylato heterodinuclear complexes based on the Cr(salen) moiety (salen = N,N-bis(salicylidene)ethylenediamine), [MII(O2C(CH3)3)(OH2)2(mu-O2C(CH3)3)(-salen)CrIII(O2C(CH3)3)], M = Ni (2), Co(3) are reported. The dinuclear complexes were obtained starting from the mononuclear trans-[Cr(salen)(CN)2]PPh4 (1), whose crystal structure is also reported. They show a trans arrangement of the Cr(salen) unit, bridging through the phenolate O atoms to a second metal center. An additional 2-O2-carboxylato bridge and a further monodentating carboxylate ligand complete the roughly octahedral Cr(III) coordination sphere. The highly distorted octahedral M(II) coordination environment is completed by two coordinated water molecules and an additional monodentating carboxylate. Variable-temperature solid-state DC magnetization studies were carried out in the 2.0-300 K range. Ferromagnetic isotropic pairwise exchange parameters were found with values of J = 4.1 cm-1 (2) and J = 2.1 cm-1 (3). Additionally, for complex 3, a ZFS parameter, D, was employed to properly fit the experimental data. Magnetization (M) vs. field (H) and temperature (T) data further support the presence of this anisotropic component and confirm ground states S = 5/2 and S = 3 for 2 and 3, respectively. Broken symmetry DFT calculations properly reproduce the experimental J values supporting the ferromagnetic exchange interaction experimentally observed. No out of phase susceptibility signal was observed in 0 DC magnetic field for both complexes. However, in the case of complex 3 a non-zero is observed when a small external field is applied below 3 K, suggesting slow relaxation of the magnetization which at 0 DC field is suppressed, probably due to efficient tunnelling relaxation pathways. The low symmetry of the Co(II) site in complex 3 may lead to the presence of transversal anisotropic components which could be responsible for the enhanced tunnelling pathway.

Statistical properties of exciton fine structure splitting and polarization angles in quantum dot ensembles

NASA Astrophysics Data System (ADS)

Gong, Ming; Hofer, B.; Zallo, E.; Trotta, R.; Luo, Jun-Wei; Schmidt, O. G.; Zhang, Chuanwei

2014-05-01

We develop an effective model to describe the statistical properties of exciton fine structure splitting (FSS) and polarization angle in quantum dot ensembles (QDEs) using only a few symmetry-related parameters. The connection between the effective model and the random matrix theory is established. Such effective model is verified both theoretically and experimentally using several rather different types of QDEs, each of which contains hundreds to thousands of QDs. The model naturally addresses three fundamental issues regarding the FSS and polarization angels of QDEs, which are frequently encountered in both theories and experiments. The answers to these fundamental questions yield an approach to characterize the optical properties of QDEs. Potential applications of the effective model are also discussed.

Magneto-Optics of Massive Dirac Fermions in Bulk Bi2Se3

NASA Astrophysics Data System (ADS)

Orlita, M.; Piot, B. A.; Martinez, G.; Kumar, N. K. Sampath; Faugeras, C.; Potemski, M.; Michel, C.; Hankiewicz, E. M.; Brauner, T.; Drašar, Č.; Schreyeck, S.; Grauer, S.; Brunner, K.; Gould, C.; Brüne, C.; Molenkamp, L. W.

2015-05-01

We report on magneto-optical studies of Bi2Se3, a representative member of the 3D topological insulator family. Its electronic states in bulk are shown to be well described by a simple Dirac-type Hamiltonian for massive particles with only two parameters: the fundamental band gap and the band velocity. In a magnetic field, this model implies a unique property—spin splitting equal to twice the cyclotron energy: Es=2 Ec. This explains the extensive magnetotransport studies concluding a fortuitous degeneracy of the spin and orbital split Landau levels in this material. The Es=2 Ec match differentiates the massive Dirac electrons in bulk Bi2Se3 from those in quantum electrodynamics, for which Es=Ec always holds.

Unveiling the photonic spin Hall effect of freely propagating fan-shaped cylindrical vector vortex beams.

PubMed

Zhang, Yi; Li, Peng; Liu, Sheng; Zhao, Jianlin

2015-10-01

An intriguing photonic spin Hall effect (SHE) for a freely propagating fan-shaped cylindrical vector (CV) vortex beam in a paraxial situation is theoretically and experimentally studied. A developed model to describe this kind of photonic SHE is proposed based on angular spectrum diffraction theory. With this model, the close dependences of spin-dependent splitting on the azimuthal order of polarization, the topological charge of the spiral phase, and the propagation distance are accurately revealed. Furthermore, it is demonstrated that the asymmetric spin-dependent splitting of a fan-shaped CV beam can be consciously managed, even with a constant azimuthal order of polarization. Such a controllable photonic SHE is experimentally verified by measuring the Stokes parameters.

Neutrino masses and their ordering: global data, priors and models

NASA Astrophysics Data System (ADS)

Gariazzo, S.; Archidiacono, M.; de Salas, P. F.; Mena, O.; Ternes, C. A.; Tórtola, M.

2018-03-01

We present a full Bayesian analysis of the combination of current neutrino oscillation, neutrinoless double beta decay and Cosmic Microwave Background observations. Our major goal is to carefully investigate the possibility to single out one neutrino mass ordering, namely Normal Ordering or Inverted Ordering, with current data. Two possible parametrizations (three neutrino masses versus the lightest neutrino mass plus the two oscillation mass splittings) and priors (linear versus logarithmic) are exhaustively examined. We find that the preference for NO is only driven by neutrino oscillation data. Moreover, the values of the Bayes factor indicate that the evidence for NO is strong only when the scan is performed over the three neutrino masses with logarithmic priors; for every other combination of parameterization and prior, the preference for NO is only weak. As a by-product of our Bayesian analyses, we are able to (a) compare the Bayesian bounds on the neutrino mixing parameters to those obtained by means of frequentist approaches, finding a very good agreement; (b) determine that the lightest neutrino mass plus the two mass splittings parametrization, motivated by the physical observables, is strongly preferred over the three neutrino mass eigenstates scan and (c) find that logarithmic priors guarantee a weakly-to-moderately more efficient sampling of the parameter space. These results establish the optimal strategy to successfully explore the neutrino parameter space, based on the use of the oscillation mass splittings and a logarithmic prior on the lightest neutrino mass, when combining neutrino oscillation data with cosmology and neutrinoless double beta decay. We also show that the limits on the total neutrino mass ∑ mν can change dramatically when moving from one prior to the other. These results have profound implications for future studies on the neutrino mass ordering, as they crucially state the need for self-consistent analyses which explore the best parametrization and priors, without combining results that involve different assumptions.

76 FR 13546 - Airworthiness Directives; The Boeing Company Model MD-90-30 Airplanes

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-14

...We propose to adopt a new airworthiness directive (AD) for the products listed above. This proposed AD would require a detailed inspection to detect distress and existing repairs to the leading edge structure of the vertical stabilizer at the splice at Station Zfs=52.267; repetitive inspections for cracking in the front spar cap forward flanges of the vertical stabilizer, and either the aft flanges or side skins; repetitive inspections for loose and missing fasteners; and related investigative and corrective actions if necessary. This proposed AD was prompted by reports of cracked vertical stabilizer skin, a severed front spar cap, elongated fastener holes at the leading edge of the vertical stabilizer, and a cracked front spar web and front spar cap bolt holes in the vertical stabilizer. We are proposing this AD to detect and correct such cracking damage, which could result in the structure being unable to support limit load, and could lead to the loss of the vertical stabilizer.

76 FR 41651 - Airworthiness Directives; The Boeing Company Model DC-9-81 (MD-81), DC-9-82 (MD-82), DC-9-83 (MD...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-15

...We are adopting a new airworthiness directive (AD) for the products listed above. This AD requires a detailed inspection to detect distress and existing repairs to the leading edge structure of the vertical stabilizer at the splice at Station Zfs = 52.267; repetitive inspections for cracking in the front spar cap forward flanges of the vertical stabilizer, and either the aft flanges or side skins; repetitive inspections for loose and missing fasteners; and related investigative and corrective actions if necessary. This AD was prompted by reports of cracked vertical stabilizer skin, a severed front spar cap, elongated fastener holes at the leading edge of the vertical stabilizer, and a cracked front spar web and front spar cap bolt holes in the vertical stabilizer. We are issuing this AD to detect and correct such cracking damage, which could result in the structure being unable to support limit load, and could lead to the loss of the vertical stabilizer.

76 FR 35342 - Airworthiness Directives; The Boeing Company Model MD-90-30 Airplanes

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-17

...We are adopting a new airworthiness directive (AD) for the products listed above. This AD requires a detailed inspection to detect distress and existing repairs to the leading edge structure of the vertical stabilizer at the splice at Station Zfs=52.267; repetitive inspections for cracking in the front spar cap forward flanges of the vertical stabilizer, and either the aft flanges or side skins; repetitive inspections for loose and missing fasteners; and related investigative and corrective actions if necessary. This AD was prompted by reports of cracked vertical stabilizer skin, a severed front spar cap, elongated fastener holes at the leading edge of the vertical stabilizer, and cracked front spar web and front spar cap bolt holes in the vertical stabilizer. We are issuing this AD to detect and correct such cracking damage, which could result in the structure being unable to support limit load, and could lead to the loss of the vertical stabilizer.

Parallel Directionally Split Solver Based on Reformulation of Pipelined Thomas Algorithm

NASA Technical Reports Server (NTRS)

Povitsky, A.

1998-01-01

In this research an efficient parallel algorithm for 3-D directionally split problems is developed. The proposed algorithm is based on a reformulated version of the pipelined Thomas algorithm that starts the backward step computations immediately after the completion of the forward step computations for the first portion of lines This algorithm has data available for other computational tasks while processors are idle from the Thomas algorithm. The proposed 3-D directionally split solver is based on the static scheduling of processors where local and non-local, data-dependent and data-independent computations are scheduled while processors are idle. A theoretical model of parallelization efficiency is used to define optimal parameters of the algorithm, to show an asymptotic parallelization penalty and to obtain an optimal cover of a global domain with subdomains. It is shown by computational experiments and by the theoretical model that the proposed algorithm reduces the parallelization penalty about two times over the basic algorithm for the range of the number of processors (subdomains) considered and the number of grid nodes per subdomain.

An improved ultra-wideband bandpass filter design using split ring resonator with coupled microstrip line

NASA Astrophysics Data System (ADS)

Umeshkumar, Dubey Suhmita; Kumar, Manish

2018-04-01

This paper incorporates an improved design of Ultra Wideband Bandpass filter by using split ring resonators (SRR) along with the coupled microstrip lines. The use of split ring resonators and shunt step impedance open circuit stub enhances the stability due to transmission zeroes at the ends. The designing of filter and simulation of parameters is carried out using Ansoft's HFSS 13.0 software on RT/Duroid 6002 as a substrate with dielectric constant of 2.94. The design utilizes a frequency band from 22GHz to 29GHz. This band is reserved for Automotive Radar system and sensors as per FCC specifications. The proposed design demonstrates insertion loss less than 0.6dB and return loss better than 12dB at mid frequency i.e. 24.4GHz. The reflection coefficient shows high stability of about 12.47dB at mid frequency. The fractional bandwidth of the proposed filter is about 28.7% and size of filter design is small due to thickness of 0.127mm.

Effective-mass model and magneto-optical properties in hybrid perovskites

PubMed Central

Yu, Z. G.

2016-01-01

Hybrid inorganic-organic perovskites have proven to be a revolutionary material for low-cost photovoltaic applications. They also exhibit many other interesting properties, including giant Rashba splitting, large-radius Wannier excitons, and novel magneto-optical effects. Understanding these properties as well as the detailed mechanism of photovoltaics requires a reliable and accessible electronic structure, on which models of transport, excitonic, and magneto-optical properties can be efficiently developed. Here we construct an effective-mass model for the hybrid perovskites based on the group theory, experiment, and first-principles calculations. Using this model, we relate the Rashba splitting with the inversion-asymmetry parameter in the tetragonal perovskites, evaluate anisotropic g-factors for both conduction and valence bands, and elucidate the magnetic-field effect on photoluminescence and its dependence on the intensity of photoexcitation. The diamagnetic effect of exciton is calculated for an arbitrarily strong magnetic field. The pronounced excitonic peak emerged at intermediate magnetic fields in cyclotron resonance is assigned to the 3D±2 states, whose splitting can be used to estimate the difference in the effective masses of electron and hole. PMID:27338834

Effective-mass model and magneto-optical properties in hybrid perovskites.

PubMed

Yu, Z G

2016-06-24

Hybrid inorganic-organic perovskites have proven to be a revolutionary material for low-cost photovoltaic applications. They also exhibit many other interesting properties, including giant Rashba splitting, large-radius Wannier excitons, and novel magneto-optical effects. Understanding these properties as well as the detailed mechanism of photovoltaics requires a reliable and accessible electronic structure, on which models of transport, excitonic, and magneto-optical properties can be efficiently developed. Here we construct an effective-mass model for the hybrid perovskites based on the group theory, experiment, and first-principles calculations. Using this model, we relate the Rashba splitting with the inversion-asymmetry parameter in the tetragonal perovskites, evaluate anisotropic g-factors for both conduction and valence bands, and elucidate the magnetic-field effect on photoluminescence and its dependence on the intensity of photoexcitation. The diamagnetic effect of exciton is calculated for an arbitrarily strong magnetic field. The pronounced excitonic peak emerged at intermediate magnetic fields in cyclotron resonance is assigned to the 3D±2 states, whose splitting can be used to estimate the difference in the effective masses of electron and hole.

Effective-mass model and magneto-optical properties in hybrid perovskites

NASA Astrophysics Data System (ADS)

Yu, Z. G.

2016-06-01

Hybrid inorganic-organic perovskites have proven to be a revolutionary material for low-cost photovoltaic applications. They also exhibit many other interesting properties, including giant Rashba splitting, large-radius Wannier excitons, and novel magneto-optical effects. Understanding these properties as well as the detailed mechanism of photovoltaics requires a reliable and accessible electronic structure, on which models of transport, excitonic, and magneto-optical properties can be efficiently developed. Here we construct an effective-mass model for the hybrid perovskites based on the group theory, experiment, and first-principles calculations. Using this model, we relate the Rashba splitting with the inversion-asymmetry parameter in the tetragonal perovskites, evaluate anisotropic g-factors for both conduction and valence bands, and elucidate the magnetic-field effect on photoluminescence and its dependence on the intensity of photoexcitation. The diamagnetic effect of exciton is calculated for an arbitrarily strong magnetic field. The pronounced excitonic peak emerged at intermediate magnetic fields in cyclotron resonance is assigned to the 3D±2 states, whose splitting can be used to estimate the difference in the effective masses of electron and hole.

Quasi-Fermi level splitting and sub-bandgap absorptivity from semiconductor photoluminescence

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

Katahara, John K.; Hillhouse, Hugh W., E-mail: h2@uw.edu

A unified model for the direct gap absorption coefficient (band-edge and sub-bandgap) is developed that encompasses the functional forms of the Urbach, Thomas-Fermi, screened Thomas-Fermi, and Franz-Keldysh models of sub-bandgap absorption as specific cases. We combine this model of absorption with an occupation-corrected non-equilibrium Planck law for the spontaneous emission of photons to yield a model of photoluminescence (PL) with broad applicability to band-band photoluminescence from intrinsic, heavily doped, and strongly compensated semiconductors. The utility of the model is that it is amenable to full-spectrum fitting of absolute intensity PL data and yields: (1) the quasi-Fermi level splitting, (2) themore » local lattice temperature, (3) the direct bandgap, (4) the functional form of the sub-bandgap absorption, and (5) the energy broadening parameter (Urbach energy, magnitude of potential fluctuations, etc.). The accuracy of the model is demonstrated by fitting the room temperature PL spectrum of GaAs. It is then applied to Cu(In,Ga)(S,Se){sub 2} (CIGSSe) and Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) to reveal the nature of their tail states. For GaAs, the model fit is excellent, and fitted parameters match literature values for the bandgap (1.42 eV), functional form of the sub-bandgap states (purely Urbach in nature), and energy broadening parameter (Urbach energy of 9.4 meV). For CIGSSe and CZTSSe, the model fits yield quasi-Fermi leveling splittings that match well with the open circuit voltages measured on devices made from the same materials and bandgaps that match well with those extracted from EQE measurements on the devices. The power of the exponential decay of the absorption coefficient into the bandgap is found to be in the range of 1.2 to 1.6, suggesting that tunneling in the presence of local electrostatic potential fluctuations is a dominant factor contributing to the sub-bandgap absorption by either purely electrostatic (screened Thomas-Fermi) or a photon-assisted tunneling mechanism (Franz-Keldysh). A Gaussian distribution of bandgaps (local E{sub g} fluctuation) is found to be inconsistent with the data. The sub-bandgap absorption of the CZTSSe absorber is found to be larger than that for CIGSSe for materials that yield roughly equivalent photovoltaic devices (8% efficient). Further, it is shown that fitting only portions of the PL spectrum (e.g., low energy for energy broadening parameter and high energy for quasi-Fermi level splitting) may lead to significant errors for materials with substantial sub-bandgap absorption and emission.« less

Representativeness of laboratory sampling procedures for the analysis of trace metals in soil.

PubMed

Dubé, Jean-Sébastien; Boudreault, Jean-Philippe; Bost, Régis; Sona, Mirela; Duhaime, François; Éthier, Yannic

2015-08-01

This study was conducted to assess the representativeness of laboratory sampling protocols for purposes of trace metal analysis in soil. Five laboratory protocols were compared, including conventional grab sampling, to assess the influence of sectorial splitting, sieving, and grinding on measured trace metal concentrations and their variability. It was concluded that grinding was the most important factor in controlling the variability of trace metal concentrations. Grinding increased the reproducibility of sample mass reduction by rotary sectorial splitting by up to two orders of magnitude. Combined with rotary sectorial splitting, grinding increased the reproducibility of trace metal concentrations by almost three orders of magnitude compared to grab sampling. Moreover, results showed that if grinding is used as part of a mass reduction protocol by sectorial splitting, the effect of sieving on reproducibility became insignificant. Gy's sampling theory and practice was also used to analyze the aforementioned sampling protocols. While the theoretical relative variances calculated for each sampling protocol qualitatively agreed with the experimental variances, their quantitative agreement was very poor. It was assumed that the parameters used in the calculation of theoretical sampling variances may not correctly estimate the constitutional heterogeneity of soils or soil-like materials. Finally, the results have highlighted the pitfalls of grab sampling, namely, the fact that it does not exert control over incorrect sampling errors and that it is strongly affected by distribution heterogeneity.

A study on crustal shear wave splitting in the western part of the Banda arc-continent collision

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

Syuhada, E-mail: hadda9@gmail.com; Research Centre for Physics - Indonesian Institute of Sciences; Hananto, Nugroho D.

2016-03-11

We analyzed shear wave splitting parameters from local shallow (< 30 km) earthquakes recorded at six seismic stations in the western part of the Banda arc-continent collision. We determined fast polarization and delay time for 195 event-stations pairs calculated from good signal-to-noise ratio waveforms. We observed that there is evidence for shear wave splitting at all stations with dominant fast polarization directions oriented about NE-SW, which are parallel to the collision direction of the Australian plate. However, minor fast polarization directions are oriented around NW-SE being perpendicular to the strike of Timor through. Furthermore, the changes in fast azimuths with themore » earthquake-station back azimuth suggest that the crustal anisotropy in the study area is not uniform. Splitting delay times are within the range of 0.05 s to 0.8 s, with a mean value of 0.29±0.18 s. Major seismic stations exhibit a weak tendency increasing of delay times with increasing hypocentral distance suggesting the main anisotropy contribution of the shallow crust. In addition, these variations in fast azimuths and delay times indicate that the crustal anisotropy in this region might not only be caused by extensive dilatancy anisotropy (EDA), but also by heterogeneity shallow structure such as the presence of foliations in the rock fabric and the fracture zones associated with active faults.« less

Kinetics and reaction coordinates of the reassembly of protein fragments via forward flux sampling.

PubMed

Borrero, Ernesto E; Contreras Martínez, Lydia M; DeLisa, Matthew P; Escobedo, Fernando A

2010-05-19

We studied the mechanism of the reassembly and folding process of two fragments of a split lattice protein by using forward flux sampling (FFS). Our results confirmed previous thermodynamics and kinetics analyses that suggested that the disruption of the critical core (of an unsplit protein that folds by a nucleation mechanism) plays a key role in the reassembly mechanism of the split system. For several split systems derived from a parent 48-mer model, we estimated the reaction coordinates in terms of collective variables by using the FFS least-square estimation method and found that the reassembly transition is best described by a combination of the total number of native contacts, the number of interchain native contacts, and the total conformational energy of the split system. We also analyzed the transition path ensemble obtained from FFS simulations using the estimated reaction coordinates as order parameters to identify the microscopic features that differentiate the reassembly of the different split systems studied. We found that in the fastest folding split system, a balanced distribution of the original-core amino acids (of the unsplit system) between protein fragments propitiates interchain interactions at early stages of the folding process. Only this system exhibits a different reassembly mechanism from that of the unsplit protein, involving the formation of a different folding nucleus. In the slowest folding system, the concentration of the folding nucleus in one fragment causes its early prefolding, whereas the second fragment tends to remain as a detached random coil. We also show that the reassembly rate can be either increased or decreased by tuning interchain cooperativeness via the introduction of a single point mutation that either strengthens or weakens one of the native interchain contacts (prevalent in the transition state ensemble). Copyright (c) 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Global Analysis of a-, b-, and c-Type Transitions Involving Tunneling Components of K= 0 and 1 States of the Methanol Dimer

NASA Astrophysics Data System (ADS)

Lugez, C. L.; Lovas, F. J.; Hougen, J. T.; Ohashi, N.

1999-03-01

Spectral data onK= 0 and 1 levels of the methanol dimer available from previous and present Fourier transform microwave measurements have been interpreted globally, using a group-theoretically derived effective Hamiltonian and corresponding tunneling matrix elements to describe the splittings arising from a large number of tunneling motions. In the present work, 302 new measurements (40K= 1-1 and 262K= 1-0 transitions) were added to the previous data set to give a total of 584 assigned transitions withJ≤ 6. As a result of the rather completeK= 0, 1 data set forJ≤ 4, the lone-pair exchange tunneling splittings were obtained experimentally. Matrix element expansions inJ(J+ 1) used in the previousK= 0 formalism were modified to apply toK> 0, essentially by making a number of real coefficients complex, as required by the generalized internal-axis-method tunneling formalism. To reduce the number of adjustable parameters to an acceptable level in both theK= 0 andK= 1 effective Hamiltonians (used in separateK= 0 andK= 1 least-squares fits), a rather large number of assumptions concerning probably negligible parameters had to be made. The present fitting results should thus be considered as providing assurance of the group-theoretical line assignments as well as a nearly quantitative global interpretation of the tunneling splittings, even though they do not yet unambiguously determine the relative contributions from all 25 group-theoretically inequivalent tunneling motions in this complex, nor do they permit quantitative extrapolation to higherKlevels.

Stress- and structure-controlled anisotropy in a region of complex faulting—Yuha Desert, California

USGS Publications Warehouse

Cochran, Elizabeth S.; Kroll, Kayla A.

2015-01-01

We examine shear velocity anisotropy in the Yuha Desert, California using aftershocks of the 2010 M7.2 El Mayor-Cucapah earthquake. The Yuha Desert is underlain by a complex network of right- and left-lateral conjugate faults, some of which experienced triggered slip during the El Mayor-Cucapah earthquake. An automated method that implements multiple measurement windows and a range of bandpass filters is used to estimate the fast direction (ϕ) and delay time (δt) of the split shear waves. We find an average ϕ oriented approximately north–south suggesting it is primarily controlled by the regional maximum compressive stress direction. However, the spatial variability in ϕ reveals that the fault structures that underlie the Yuha Desert also influence the measured splitting parameters. We infer that the northeast- and northwest-oriented ϕ reflect shear fabric subparallel to the conjugate fault structures. We do not observe a simple correlation between δt and hypocentral distance. Instead, the observed spatial variation in δt suggests that near-source variation in anisotropic strength may be equal to or more important than effects local to the station. No temporal variation in splitting parameters is observed during the 70-day period following the main shock. In this region of complex faulting, we observe a spatially variable pattern of anisotropy that is both stress- and structure-controlled. This study suggests that shear fabric can form even along short, discontinuous fault strands with minimal offset.                   

Rotational characterization of methyl methacrylate: Internal dynamics and structure determination

NASA Astrophysics Data System (ADS)

Herbers, Sven; Wachsmuth, Dennis; Obenchain, Daniel A.; Grabow, Jens-Uwe

2018-01-01

Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the two most stable conformers of methyl methacrylate were retrieved from the microwave spectrum. Splittings of rotational energy levels were caused by two non equivalent methyl tops. Constraining the centrifugal distortion coefficients and internal rotation parameters to the values of the main isotopologues, the rotational constants of all single substituted 13C and 18O isotopologues were determined. From these rotational constants the substitution structures and semi-empirical zero point structures of both conformers were precisely determined.

On standardization of low symmetry crystal fields

NASA Astrophysics Data System (ADS)

Gajek, Zbigniew

2015-07-01

Standardization methods of low symmetry - orthorhombic, monoclinic and triclinic - crystal fields are formulated and discussed. Two alternative approaches are presented, the conventional one, based on the second-rank parameters and the standardization based on the fourth-rank parameters. Mainly f-electron systems are considered but some guidelines for d-electron systems and the spin Hamiltonian describing the zero-field splitting are given. The discussion focuses on premises for choosing the most suitable method, in particular on inadequacy of the conventional one. Few examples from the literature illustrate this situation.

Efficacy of endoscopic combined intrarenal surgery in the prone split-leg position for staghorn calculi.

PubMed

Hamamoto, Shuzo; Yasui, Takahiro; Okada, Atsushi; Koiwa, Satoshi; Taguchi, Kazumi; Itoh, Yasunori; Kawai, Noriyasu; Hashimoto, Yoshihiro; Tozawa, Keiichi; Kohri, Kenjiro

2015-01-01

Abstract Purpose: To evaluate the efficacy of endoscopic combined intrarenal surgery (ECIRS) using retrograde flexible ureteroscopy and miniature percutaneous nephrolithotomy (PNL) for the treatment of patients with staghorn calculi in the prone split-leg position. We retrospectively reviewed the records of 42 patients with staghorn calculi (45.8±3.2 mm) who underwent ECIRS using retrograde flexible ureteroscopy and miniature PNL in the prone split-leg position for the treatment of staghorn calculi in our center between December 2010 and August 2013. A flexible ureteroscope with a laser fiber was inserted through a ureteral access sheath, and lithoclast lithotripsy was performed through a mini-percutaneous tract. Both procedures were performed simultaneously by two urologists. Surgical parameters, including surgical time, stone-free (SF) rates, modified Clavien complication grades, and risk factors for residual stones, were analyzed. Fifteen patients (35.7%) had complete staghorn calculi. Among the 42 staghorn calculi treated, 23 had 0 to 5 stone branches, 14 had 6 to 10 stone branches, and 5 had ≥11 stone branches. All procedures were performed successfully using a single lithotripsy tract with the patient in the prone split-leg position. The mean surgical time was 143.2±9.2 minutes. The initial SF rate was 71.4%, and the final SF rate was 83.3% after further treatment. One patient required a blood transfusion (2.4%), but no patient experienced a ≥3 Clavien grade complication. Risk factors for residual stones were stone size, stone surface area, complete staghorn calculi, and the number of stone branches. ECIRS for staghorn calculi in the prone split-leg position is a safe, efficient, and versatile method for the effective management of staghorn calculi without the creation of multiple percutaneous tracts.

Imaging simulation of active EO-camera

NASA Astrophysics Data System (ADS)

Pérez, José; Repasi, Endre

2018-04-01

A modeling scheme for active imaging through atmospheric turbulence is presented. The model consists of two parts: In the first part, the illumination laser beam is propagated to a target that is described by its reflectance properties, using the well-known split-step Fourier method for wave propagation. In the second part, the reflected intensity distribution imaged on a camera is computed using an empirical model developed for passive imaging through atmospheric turbulence. The split-step Fourier method requires carefully chosen simulation parameters. These simulation requirements together with the need to produce dynamic scenes with a large number of frames led us to implement the model on GPU. Validation of this implementation is shown for two different metrics. This model is well suited for Gated-Viewing applications. Examples of imaging simulation results are presented here.

Atmospheric Probe Model: Construction and Wind Tunnel Tests

NASA Technical Reports Server (NTRS)

Vogel, Jerald M.

1998-01-01

The material contained in this document represents a summary of the results of a low speed wind tunnel test program to determine the performance of an atmospheric probe at low speed. The probe configuration tested consists of a 2/3 scale model constructed from a combination of hard maple wood and aluminum stock. The model design includes approximately 130 surface static pressure taps. Additional hardware incorporated in the baseline model provides a mechanism for simulating external and internal trailing edge split flaps for probe flow control. Test matrix parameters include probe side slip angle, external/internal split flap deflection angle, and trip strip applications. Test output database includes surface pressure distributions on both inner and outer annular wings and probe center line velocity distributions from forward probe to aft probe locations.

Broadband Gerchberg-Saxton algorithm for freeform diffractive spectral filter design.

PubMed

Vorndran, Shelby; Russo, Juan M; Wu, Yuechen; Pelaez, Silvana Ayala; Kostuk, Raymond K

2015-11-30

A multi-wavelength expansion of the Gerchberg-Saxton (GS) algorithm is developed to design and optimize a surface relief Diffractive Optical Element (DOE). The DOE simultaneously diffracts distinct wavelength bands into separate target regions. A description of the algorithm is provided, and parameters that affect filter performance are examined. Performance is based on the spectral power collected within specified regions on a receiver plane. The modified GS algorithm is used to design spectrum splitting optics for CdSe and Si photovoltaic (PV) cells. The DOE has average optical efficiency of 87.5% over the spectral bands of interest (400-710 nm and 710-1100 nm). Simulated PV conversion efficiency is 37.7%, which is 29.3% higher than the efficiency of the better performing PV cell without spectrum splitting optics.

LO-TO splittings, effective charges and interactions in electro-optic meta-nitroaniline crystal as studied by polarized IR reflection and transmission spectra

NASA Astrophysics Data System (ADS)

Szostak, M. M.; Le Calvé, N.; Romain, F.; Pasquier, B.

1994-10-01

The polarized IR reflection spectra of the meta-nitroaniline ( m-NA) single crystal along the a, b and c crystallographic axes as well as the b and c polarized transmission spectra have been measured in the 100-400 cm -1 region. The LO-TO splitting values have been calculated from the reflection spectra by fitting them with the four parameter dielectric function. The dipole moment derivatives, relevant to dynamic effective charges, of the vibrations have also been calculated and used to check the applicability of the oriented gas model (OGM) to reflection spectra. The discrepancies from the OGM have been discussed in terms of vibronic couplings, weak hydrogen bondings (HB) and intramolecular charge transfer.

A Monte Carlo code for the fragmentation of polarized quarks

NASA Astrophysics Data System (ADS)

Kerbizi, A.; Artru, X.; Belghobsi, Z.; Bradamante, F.; Martin, A.

2017-12-01

We describe a Monte Carlo code for the fragmentation of polarized quarks into pseudoscalar mesons. The quark jet is generated by iteration of the splitting q → h + q‧ where q and q‧ indicate quarks and h a hadron. The splitting function describing the energy sharing between q‧ and h is calculated on the basis of the Symmetric Lund Model where the quark spin is introduced through spin matrices as foreseen in the 3 P 0 mechanism. A complex mass parameter is introduced for the parametrisation of the Collins effect. The results for the Collins analysing power and the comparison with the Collins asymmetries measured by the COMPASS collaboration are presented. For the first time preliminary results on the simulated azimuthal asymmetry due to the Boer-Mulders function are also given.

Visible-light absorption and large band-gap bowing of GaN 1-xSb x from first principles

DOE PAGES

Sheetz, R. Michael; Richter, Ernst; Andriotis, Antonis N.; ...

2011-08-01

Applicability of the Ga(Sb x)N 1-x alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achieve a significant narrowing of the band gap, enabling absorption of visible light. Theoretical results predict that Ga(Sb x)N 1-x alloys with 2-eV band gaps straddle the potential window at moderate to low pH values, thus indicating that dilute Ga(Sb x)N 1-x alloys could be potential candidates for splitting watermore » under visible light irradiation.« less

Parameter assessment for virtual Stackelberg game in aerodynamic shape optimization

NASA Astrophysics Data System (ADS)

Wang, Jing; Xie, Fangfang; Zheng, Yao; Zhang, Jifa

2018-05-01

In this paper, parametric studies of virtual Stackelberg game (VSG) are conducted to assess the impact of critical parameters on aerodynamic shape optimization, including design cycle, split of design variables and role assignment. Typical numerical cases, including the inverse design and drag reduction design of airfoil, have been carried out. The numerical results confirm the effectiveness and efficiency of VSG. Furthermore, the most significant parameters are identified, e.g. the increase of design cycle can improve the optimization results but it will also add computational burden. These studies will maximize the productivity of the effort in aerodynamic optimization for more complicated engineering problems, such as the multi-element airfoil and wing-body configurations.

Studies of the g factors of the ground 4A2 and the first excited 2E state of Cr 3+ ions in emerald

NASA Astrophysics Data System (ADS)

Wei, Qun; Guo, Li-Xin; Yang, Zi-Yuan; Wei, Bing

2011-09-01

By using complete diagonalization method, the zero-field splitting and g factors of the ground 4A2 and the first excited 2E states of Cr 3+ ions in emerald are calculated. The theoretical results are in good agreement with the experimental data. The dependencies of the g factors on the crystal field parameters, including Dq, v, and v', have been studied. It is shown that, the g factors of the ground state varied with the crystal field parameters approximately in a linear way, but the g factors of the first excited state varied nonlinearly with these parameters.

SU-G-TeP2-11: Initial Evaluation of a Novel Split-Filter Dual-Energy CT for Use in Radiation Oncology

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

Miller, J; Huang, J; Szczykutowicz, T

2016-06-15

Purpose: To perform an initial evaluation of a novel split-filter dual-energy CT (DECT) system with the goal of understanding the clinical utility and limitations of the system for radiation therapy. Methods: Several phantoms were imaged using the split-filter DECT technique on the Siemens Edge CT scanner using a range of clinically-relevant doses. The optimum-contrast reconstruction, the mixed reconstruction, and the monoenergetic reconstructions (ranging from 40 keV to 190 keV) were evaluated. Each image was analyzed for CT number accuracy, uniformity, noise, low-contrast visibility (LCV), spatial resolution and geometric distortion. For comparison purposes, all parameters were evaluated on 120 kVp single-energymore » CT (SECT) scans used for treatment planning, as well as, a sequential-scan DECT technique for corresponding doses. Results: For all DECT reconstructions no observable geometric distortion was found. Both the optimal-contrast and mixed images demonstrated slight improvements in LCV and noise when compared to the SECT, and slight reductions in CT number accuracy and spatial resolution. The CT numbers trended as expected for the monoenergetic reconstructions, with CT number accuracy within 50 HU for materials of density <2 g/cm3. Spatial resolution increased with energy, and for monoenergetic reconstructions >70 keV the spatial resolution exceeded that of the SECT. The noise in the monoenergetic reconstructions increased with decreasing energy. Thus, the image uniformity, signal-to-noise ratio and LCV were diminished at lower energies (70 keV). Applying iterative reconstruction techniques to the low-energy images reduced noise and improved LCV. The signal-to-noise ratio was stable for energies >100 keV. Conclusion: The initial commissioning of the novel split-filter DECT technology demonstrated favorable results for clinical implementation. The mixed reconstruction showed potential as a replacement for the treatment planning SECT. The image parameters for the monoenergetic reconstructions varied appropriately with energy. This work provides an initial understanding of the limitations and potential applications for monoenergetic imaging.« less

Upper mantle seismic anisotropy beneath the West Antarctic Rift System and surrounding region from shear wave splitting analysis

NASA Astrophysics Data System (ADS)

Accardo, Natalie J.; Wiens, Douglas A.; Hernandez, Stephen; Aster, Richard C.; Nyblade, Andrew; Huerta, Audrey; Anandakrishnan, Sridhar; Wilson, Terry; Heeszel, David S.; Dalziel, Ian W. D.

2014-07-01

We constrain azimuthal anisotropy in the West Antarctic upper mantle using shear wave splitting parameters obtained from teleseismic SKS, SKKS and PKS phases recorded at 37 broad-band seismometres deployed by the POLENET/ANET project. We use an eigenvalue technique to linearize the rotated and shifted shear wave horizontal particle motions and determine the fast direction and delay time for each arrival. High-quality measurements are stacked to determine the best fitting splitting parameters for each station. Overall, fast anisotropic directions are oriented at large angles to the direction of Antarctic absolute plate motion in both hotspot and no-net-rotation frameworks, showing that the anisotropy does not result from shear due to plate motion over the mantle. Further, the West Antarctic directions are substantially different from those of East Antarctica, indicating that anisotropy across the continent reflects multiple mantle regimes. We suggest that the observed anisotropy along the central Transantarctic Mountains (TAM) and adjacent West Antarctic Rift System (WARS), one of the largest zones of extended continental crust on Earth, results from asthenospheric mantle strain associated with the final pulse of western WARS extension in the late Miocene. Strong and consistent anisotropy throughout the WARS indicate fast axes subparallel to the inferred extension direction, a result unlike reports from the East African rift system and rifts within the Basin and Range, which show much greater variation. We contend that ductile shearing rather than magmatic intrusion may have been the controlling mechanism for accumulation and retention of such coherent, widespread anisotropic fabric. Splitting beneath the Marie Byrd Land Dome (MBL) is weaker than that observed elsewhere within the WARS, but shows a consistent fast direction, possibly representative of anisotropy that has been `frozen-in' to remnant thicker lithosphere. Fast directions observed inland from the Amundsen Sea appear to be radial to the dome and may indicate radial horizontal mantle flow associated with an MBL plume head and low upper mantle velocities in this region, or alternatively to lithospheric features associated with the complex Cenozoic tectonics at the far-eastern end of the WARS.

Special Workshop: Kolsky/Split Hopkinson Pressure Bar Testing of Ceramics

DTIC Science & Technology

2006-09-01

merit) control armor performance and how these properties are controlled/ influenced by intrinsic (crystal structure, phase transitions, and single...reproducibility uncertainties (estimates of precision) could be quantified and also identify key parameters that should be controlled in SHPB/Kolsky testing...control performance? Are there figures of merit? How are the mechanical properties influenced by intrinsic and extrinsic material characteristics

Elastic solitons in delaminated bars: splitting leads to fission

NASA Astrophysics Data System (ADS)

Samsonov, A. M.; Dreiden, G. V.; Khusnutdinova, K. R.; Semenova, I. V.

2008-06-01

Recent theoretical and successful experimental studies confirmed existence and demonstrated main properties of bulk strain solitary waves in nonlinearly elastic solid wave guides. Our current research is devoted to nonlinear wave processes in layered elastic wave guides with inhomogeneities modelling delamination. We present first theoretical and experimental results showing the influence of delamination on the parameters of the longitudinal strain solitary wave.

Dirac Cellular Automaton from Split-step Quantum Walk

PubMed Central

Mallick, Arindam; Chandrashekar, C. M.

2016-01-01

Simulations of one quantum system by an other has an implication in realization of quantum machine that can imitate any quantum system and solve problems that are not accessible to classical computers. One of the approach to engineer quantum simulations is to discretize the space-time degree of freedom in quantum dynamics and define the quantum cellular automata (QCA), a local unitary update rule on a lattice. Different models of QCA are constructed using set of conditions which are not unique and are not always in implementable configuration on any other system. Dirac Cellular Automata (DCA) is one such model constructed for Dirac Hamiltonian (DH) in free quantum field theory. Here, starting from a split-step discrete-time quantum walk (QW) which is uniquely defined for experimental implementation, we recover the DCA along with all the fine oscillations in position space and bridge the missing connection between DH-DCA-QW. We will present the contribution of the parameters resulting in the fine oscillations on the Zitterbewegung frequency and entanglement. The tuneability of the evolution parameters demonstrated in experimental implementation of QW will establish it as an efficient tool to design quantum simulator and approach quantum field theory from principles of quantum information theory. PMID:27184159

Fierz bilinear formulation of the Maxwell-Dirac equations and symmetry reductions

NASA Astrophysics Data System (ADS)

Inglis, Shaun; Jarvis, Peter

2014-09-01

We study the Maxwell-Dirac equations in a manifestly gauge invariant presentation using only the spinor bilinear scalar and pseudoscalar densities, and the vector and pseudovector currents, together with their quadratic Fierz relations. The internally produced vector potential is expressed via algebraic manipulation of the Dirac equation, as a rational function of the Fierz bilinears and first derivatives (valid on the support of the scalar density), which allows a gauge invariant vector potential to be defined. This leads to a Fierz bilinear formulation of the Maxwell tensor and of the Maxwell-Dirac equations, without any reference to gauge dependent quantities. We show how demanding invariance of tensor fields under the action of a fixed (but arbitrary) Lie subgroup of the Poincaré group leads to symmetry reduced equations. The procedure is illustrated, and the reduced equations worked out explicitly for standard spherical and cylindrical cases, which are coupled third order nonlinear PDEs. Spherical symmetry necessitates the existence of magnetic monopoles, which do not affect the coupled Maxwell-Dirac system due to magnetic terms cancelling. In this paper we do not take up numerical computations. As a demonstration of the power of our approach, we also work out the symmetry reduced equations for two distinct classes of dimension 4 one-parameter families of Poincaré subgroups, one splitting and one non-splitting. The splitting class yields no solutions, whereas for the non-splitting class we find a family of formal exact solutions in closed form.

On the soft supersymmetry-breaking parameters in gauge-mediated models

NASA Astrophysics Data System (ADS)

Wagner, C. E. M.

1998-09-01

Gauge mediation of supersymmetry breaking in the observable sector is an attractive idea, which naturally alleviates the flavor changing neutral current problem of supersymmetric theories. Quite generally, however, the number and quantum number of the messengers are not known; nor is their characteristic mass scale determined by the theory. Using the recently proposed method to extract supersymmetry-breaking parameters from wave-function renormalization, we derived general formulae for the soft supersymmetry-breaking parameters in the observable sector, valid in the small and moderate tan β regimes, for the case of split messengers. The full leading-order effects of top Yukawa and gauge couplings on the soft supersymmetry-breaking parameters are included. We give a simple interpretation of the general formulae in terms of the renormalization group evolution of the soft supersymmetry-breaking parameters. As a by-product of this analysis, the one-loop renormalization group evolution of the soft supersymmetry-breaking parameters is obtained for arbitrary boundary conditions of the scalar and gaugino mass parameters at high energies.

A measurement of neutrino oscillations with muon neutrinos in the MINOS experiment

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

Coleman, Stephen James

2011-05-01

Experimental evidence has established that neutrino flavor states evolve over time. A neutrino of a particular flavor that travels some distance can be detected in a different neutrino flavor state. The Main Injector Neutrino Oscillation Search (MINOS) is a long-baseline experiment that is designed to study this phenomenon, called neutrino oscillations. MINOS is based at Fermilab near Chicago, IL, and consists of two detectors: the Near Detector located at Fermilab, and the Far Detector, which is located in an old iron mine in Soudan, MN. Both detectors are exposed to a beam of muon neutrinos from the NuMI beamline, andmore » MINOS measures the fraction of muon neutrinos that disappear after traveling the 734 km between the two detectors. One can measure the atmospheric neutrino mass splitting and mixing angle by observing the energy-dependence of this muon neutrino disappearance. MINOS has made several prior measurements of these parameters. Here I describe recently-developed techniques used to enhance our sensitivity to the oscillation parameters, and I present the results obtained when they are applied to a dataset that is twice as large as has been previously analyzed. We measure the mass splitting Δm 23 2 = (2.32 -0.08 +0.12) x 10 -3 eV 2/c 4 and the mixing angle sin 2(2θ 32) > 0.90 at 90% C.L. These results comprise the world's best measurement of the atmospheric neutrino mass splitting. Alternative disappearance models are also tested. The neutrino decay hypothesis is disfavored at 7.2σ and the neutrino quantum decoherence hypothesis is disfavored at 9.0σ.« less

Speeding up tsunami wave propagation modeling

NASA Astrophysics Data System (ADS)

Lavrentyev, Mikhail; Romanenko, Alexey

2014-05-01

Trans-oceanic wave propagation is one of the most time/CPU consuming parts of the tsunami modeling process. The so-called Method Of Splitting Tsunami (MOST) software package, developed at PMEL NOAA USA (Pacific Marine Environmental Laboratory of the National Oceanic and Atmospheric Administration, USA), is widely used to evaluate the tsunami parameters. However, it takes time to simulate trans-ocean wave propagation, that is up to 5 hours CPU time to "drive" the wave from Chili (epicenter) to the coast of Japan (even using a rather coarse computational mesh). Accurate wave height prediction requires fine meshes which leads to dramatic increase in time for simulation. Computation time is among the critical parameter as it takes only about 20 minutes for tsunami wave to approach the coast of Japan after earthquake at Japan trench or Sagami trench (as it was after the Great East Japan Earthquake on March 11, 2011). MOST solves numerically the hyperbolic system for three unknown functions, namely velocity vector and wave height (shallow water approximation). The system could be split into two independent systems by orthogonal directions (splitting method). Each system can be treated independently. This calculation scheme is well suited for SIMD architecture and GPUs as well. We performed adaptation of MOST package to GPU. Several numerical tests showed 40x performance gain for NVIDIA Tesla C2050 GPU vs. single core of Intel i7 processor. Results of numerical experiments were compared with other available simulation data. Calculation results, obtained at GPU, differ from the reference ones by 10^-3 cm of the wave height simulating 24 hours wave propagation. This allows us to speak about possibility to develop real-time system for evaluating tsunami danger.

Analysis of k-means clustering approach on the breast cancer Wisconsin dataset.

PubMed

Dubey, Ashutosh Kumar; Gupta, Umesh; Jain, Sonal

2016-11-01

Breast cancer is one of the most common cancers found worldwide and most frequently found in women. An early detection of breast cancer provides the possibility of its cure; therefore, a large number of studies are currently going on to identify methods that can detect breast cancer in its early stages. This study was aimed to find the effects of k-means clustering algorithm with different computation measures like centroid, distance, split method, epoch, attribute, and iteration and to carefully consider and identify the combination of measures that has potential of highly accurate clustering accuracy. K-means algorithm was used to evaluate the impact of clustering using centroid initialization, distance measures, and split methods. The experiments were performed using breast cancer Wisconsin (BCW) diagnostic dataset. Foggy and random centroids were used for the centroid initialization. In foggy centroid, based on random values, the first centroid was calculated. For random centroid, the initial centroid was considered as (0, 0). The results were obtained by employing k-means algorithm and are discussed with different cases considering variable parameters. The calculations were based on the centroid (foggy/random), distance (Euclidean/Manhattan/Pearson), split (simple/variance), threshold (constant epoch/same centroid), attribute (2-9), and iteration (4-10). Approximately, 92 % average positive prediction accuracy was obtained with this approach. Better results were found for the same centroid and the highest variance. The results achieved using Euclidean and Manhattan were better than the Pearson correlation. The findings of this work provided extensive understanding of the computational parameters that can be used with k-means. The results indicated that k-means has a potential to classify BCW dataset.

Stress aligned cracks in the upper crust of the Val d'Agri region as revealed by shear wave splitting

NASA Astrophysics Data System (ADS)

Pastori, M.; Piccinini, D.; Margheriti, L.; Improta, L.; Valoroso, L.; Chiaraluce, L.; Chiarabba, C.

2009-10-01

Shear wave splitting is measured at 19 seismic stations of a temporary network deployed in the Val d'Agri area to record low-magnitude seismic activity. The splitting results suggest the presence of an anisotropic layer between the surface and 15 km depth (i.e. above the hypocentres). The dominant fast polarization direction strikes NW-SE parallel to the Apennines orogen and is approximately parallel to the maximum horizontal stress in the region, as well as to major normal faults bordering the Val d'Agri basin. The size of the normalized delay times in the study region is about 0.01 s km-1, suggesting 4.5 percent shear wave velocity anisotropy (SWVA). On the south-western flank of the basin, where most of the seismicity occurs, we found larger values of normalized delay times, between 0.017 and 0.02 s km-1. These high values suggest a 10 percent of SWVA. These parameters agree with an interpretation of seismic anisotropy in terms of the Extensive-Dilatancy Anisotropy (EDA) model that considers the rock volume pervaded by fluid-saturated microcracks aligned by the active stress field. Anisotropic parameters are consistent with borehole image logs from deep exploration wells in the Val d'Agri oil field that detect pervasive fluid saturated microcracks striking NW-SE parallel to the maximum horizontal stress in the carbonatic reservoir. However, we cannot rule out the contribution of aligned macroscopic fractures because the main Quaternary normal faults are parallel to the maximum horizontal stress. The strong anisotropy and the seismicity concentration testify for active deformation along the SW flank of the basin.

Full extraction methods to retrieve effective refractive index and parameters of a bianisotropic metamaterial based on material dispersion models

NASA Astrophysics Data System (ADS)

Hsieh, Feng-Ju; Wang, Wei-Chih

2012-09-01

This paper discusses two improved methods in retrieving effective refractive indices, impedances, and material properties, such as permittivity (ɛ) and permeability (μ), of metamaterials. The first method modified from Kong's retrieval method allows effective constitutive parameters over all frequencies including the anti-resonant band, where imaginary parts of ɛ or μ are negative, to be solved. The second method is based on genetic algorithms and optimization of properly defined goal functions to retrieve parameters of the Drude and Lorentz dispersion models. Equations of effective refractive index and impedance at any reference planes are derived. Split ring resonator-rod based metamaterials operating in terahertz frequencies are designed and investigated with proposed methods. Retrieved material properties and parameters are used to regenerate S-parameters and compared with simulation results generated by cst microwave studio software.

Robust shrinking ellipsoid model predictive control for linear parameter varying system

PubMed Central

Yan, Yan

2017-01-01

In this paper, a new off-line model predictive control strategy is presented for a kind of linear parameter varying system with polytopic uncertainty. A nest of shrinking ellipsoids is constructed by solving linear matrix inequality. By splitting the objective function into two parts, the proposed strategy moves most computations off-line. The on-line computation is only calculating the current control to assure the system shrinking into the smaller ellipsoid. With the proposed formulation, the stability of the closed system is proved, followed with two numerical examples to demonstrate the proposed method’s effectiveness in the end. PMID:28575028

Determination of rheological parameters of liquid crystals with zero anisotropy of diamagnetic susceptibility

NASA Astrophysics Data System (ADS)

Korotey, E. V.; Sinyavskii, N. Ya.

2007-07-01

A new method for determination of rheological parameters of liquid crystals with zero anisotropy of diamagnetic susceptibility is proposed, which is based on the measurement of the quadrupole splitting line of the NMR 2H spectrum. The method provides higher information content of the experiments, with the shear flow discarded from consideration, compared to that obtained by the classical Leslie-Ericksen theory. A comparison with the experiment is performed, the coefficients of anisotropic viscosity of lecithin/D2O/cyclohexane are determined, and a conclusion is drawn as concerns the domain shapes.

Electronegativity, charge transfer, crystal field strength, and the point charge model revisited.

PubMed

Tanner, Peter A; Ning, Lixin

2013-02-21

Although the optical spectra of LnCl(6)(3-) systems are complex, only two crystal field parameters, B(40) and B(60), are required to model the J-multiplet crystal field splittings in octahedral symmetry. It is found that these parameters exhibit R(-5) and R(-7) dependence, respectively, upon the ionic radius Ln(3+)(VI), but not upon the Ln-Cl distance. More generally, the crystal field strengths of LnX(6) systems (X = Br, Cl, F, O) exhibit linear relationships with ligand electronegativity, charge transfer energy, and fractional ionic character of the Ln-X bond.

The Design and Analysis of a Novel Split-H-Shaped Metamaterial for Multi-Band Microwave Applications

PubMed Central

Islam, Sikder Sunbeam; Faruque, Mohammad Rashed Iqbal; Islam, Mohammad Tariqul

2014-01-01

This paper presents the design and analysis of a novel split-H-shaped metamaterial unit cell structure that is applicable in a multi-band frequency range and that exhibits negative permeability and permittivity in those frequency bands. In the basic design, the separate split-square resonators are joined by a metal link to form an H-shaped unit structure. Moreover, an analysis and a comparison of the 1 × 1 array and 2 × 2 array structures and the 1 × 1 and 2 × 2 unit cell configurations were performed. All of these configurations demonstrate multi-band operating frequencies (S-band, C-band, X-band and Ku-band) with double-negative characteristics. The equivalent circuit model and measured result for each unit cell are presented to validate the resonant behavior. The commercially available finite-difference time-domain (FDTD)-based simulation software, Computer Simulation Technology (CST) Microwave Studio, was used to obtain the reflection and transmission parameters of each unit cell. This is a novel and promising design in the electromagnetic paradigm for its simplicity, scalability, double-negative characteristics and multi-band operation. PMID:28788116

A splitting scheme based on the space-time CE/SE method for solving multi-dimensional hydrodynamical models of semiconductor devices

NASA Astrophysics Data System (ADS)

Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul

2016-08-01

Numerical solutions of the hydrodynamical model of semiconductor devices are presented in one and two-space dimension. The model describes the charge transport in semiconductor devices. Mathematically, the models can be written as a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the conservation element and solution element (CE/SE) method for hyperbolic step, and a semi-implicit scheme for the relaxation step. The numerical results of the suggested scheme are compared with the splitting scheme based on Nessyahu-Tadmor (NT) central scheme for convection step and the same semi-implicit scheme for the relaxation step. The effects of various parameters such as low field mobility, device length, lattice temperature and voltages for one-space dimensional hydrodynamic model are explored to further validate the generic applicability of the CE/SE method for the current model equations. A two dimensional simulation is also performed by CE/SE method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.

The Design and Analysis of a Novel Split-H-Shaped Metamaterial for Multi-Band Microwave Applications.

PubMed

Islam, Sikder Sunbeam; Faruque, Mohammad Rashed Iqbal; Islam, Mohammad Tariqul

2014-07-02

This paper presents the design and analysis of a novel split-H-shaped metamaterial unit cell structure that is applicable in a multi-band frequency range and that exhibits negative permeability and permittivity in those frequency bands. In the basic design, the separate split-square resonators are joined by a metal link to form an H-shaped unit structure. Moreover, an analysis and a comparison of the 1 × 1 array and 2 × 2 array structures and the 1 × 1 and 2 × 2 unit cell configurations were performed. All of these configurations demonstrate multi-band operating frequencies (S-band, C-band, X-band and K u -band) with double-negative characteristics. The equivalent circuit model and measured result for each unit cell are presented to validate the resonant behavior. The commercially available finite-difference time-domain (FDTD)-based simulation software, Computer Simulation Technology (CST) Microwave Studio, was used to obtain the reflection and transmission parameters of each unit cell. This is a novel and promising design in the electromagnetic paradigm for its simplicity, scalability, double-negative characteristics and multi-band operation.

Joint Transmit Power Allocation and Splitting for SWIPT Aided OFDM-IDMA in Wireless Sensor Networks

PubMed Central

Li, Shanshan; Zhou, Xiaotian; Wang, Cheng-Xiang; Yuan, Dongfeng; Zhang, Wensheng

2017-01-01

In this paper, we propose to combine Orthogonal Frequency Division Multiplexing-Interleave Division Multiple Access (OFDM-IDMA) with Simultaneous Wireless Information and Power Transfer (SWIPT), resulting in SWIPT aided OFDM-IDMA scheme for power-limited sensor networks. In the proposed system, the Receive Node (RN) applies Power Splitting (PS) to coordinate the Energy Harvesting (EH) and Information Decoding (ID) process, where the harvested energy is utilized to guarantee the iterative Multi-User Detection (MUD) of IDMA to work under sufficient number of iterations. Our objective is to minimize the total transmit power of Source Node (SN), while satisfying the requirements of both minimum harvested energy and Bit Error Rate (BER) performance from individual receive nodes. We formulate such a problem as a joint power allocation and splitting one, where the iteration number of MUD is also taken into consideration as the key parameter to affect both EH and ID constraints. To solve it, a sub-optimal algorithm is proposed to determine the power profile, PS ratio and iteration number of MUD in an iterative manner. Simulation results verify that the proposed algorithm can provide significant performance improvement. PMID:28677636

Joint Transmit Power Allocation and Splitting for SWIPT Aided OFDM-IDMA in Wireless Sensor Networks.

PubMed

Li, Shanshan; Zhou, Xiaotian; Wang, Cheng-Xiang; Yuan, Dongfeng; Zhang, Wensheng

2017-07-04

In this paper, we propose to combine Orthogonal Frequency Division Multiplexing-Interleave Division Multiple Access (OFDM-IDMA) with Simultaneous Wireless Information and Power Transfer (SWIPT), resulting in SWIPT aided OFDM-IDMA scheme for power-limited sensor networks. In the proposed system, the Receive Node (RN) applies Power Splitting (PS) to coordinate the Energy Harvesting (EH) and Information Decoding (ID) process, where the harvested energy is utilized to guarantee the iterative Multi-User Detection (MUD) of IDMA to work under sufficient number of iterations. Our objective is to minimize the total transmit power of Source Node (SN), while satisfying the requirements of both minimum harvested energy and Bit Error Rate (BER) performance from individual receive nodes. We formulate such a problem as a joint power allocation and splitting one, where the iteration number of MUD is also taken into consideration as the key parameter to affect both EH and ID constraints. To solve it, a sub-optimal algorithm is proposed to determine the power profile, PS ratio and iteration number of MUD in an iterative manner. Simulation results verify that the proposed algorithm can provide significant performance improvement.

Shear-Wave Splitting and Crustal Anisotropy in the Shillong-Mikir Plateau of Northeast India

NASA Astrophysics Data System (ADS)

Bora, Dipok K.; Hazarika, Devajit; Paul, Arpita; Borah, Kajaljyoti; Borgohain, Jayanta Madhab

2018-01-01

Seismic anisotropy of crust beneath the Shillong-Mikir Plateau and the surrounding regions of northeast India have been investigated with the help of splitting analysis of S-wave of local earthquakes. We estimate a total 83 pairs of splitting parameters ( Φ and δt) from 67 local shallow focus earthquakes (depth ≤ 32 km) recorded by the 10 broadband seismological stations operated in the study region. The results show delay times ranging from 0.02 to 0.2 s, which correspond to anisotropy up to 4%, suggesting significant strength of anisotropy in the study region. Fast polarization direction ( Φ) in the Shillong Plateau shows mostly NW-SE trend in the western part and NE-SW trend in the northern part. Φs near Kopili fault (KF) follows NW-SE trend. Φ at most of the stations in the study region is consistent with the local stress orientation, suggesting that the anisotropy is mainly caused by preferentially aligned cracks responding to the stress field. On the other hand, anisotropy observed near the KF is due to aligned macroscopic fracture related to strike-slip movement in the fault zone.

Total-variation based velocity inversion with Bregmanized operator splitting algorithm

NASA Astrophysics Data System (ADS)

Zand, Toktam; Gholami, Ali

2018-04-01

Many problems in applied geophysics can be formulated as a linear inverse problem. The associated problems, however, are large-scale and ill-conditioned. Therefore, regularization techniques are needed to be employed for solving them and generating a stable and acceptable solution. We consider numerical methods for solving such problems in this paper. In order to tackle the ill-conditioning of the problem we use blockiness as a prior information of the subsurface parameters and formulate the problem as a constrained total variation (TV) regularization. The Bregmanized operator splitting (BOS) algorithm as a combination of the Bregman iteration and the proximal forward backward operator splitting method is developed to solve the arranged problem. Two main advantages of this new algorithm are that no matrix inversion is required and that a discrepancy stopping criterion is used to stop the iterations, which allow efficient solution of large-scale problems. The high performance of the proposed TV regularization method is demonstrated using two different experiments: 1) velocity inversion from (synthetic) seismic data which is based on Born approximation, 2) computing interval velocities from RMS velocities via Dix formula. Numerical examples are presented to verify the feasibility of the proposed method for high-resolution velocity inversion.

Detecting primordial gravitational waves with circular polarization of the redshifted 21 cm line. I. Formalism

NASA Astrophysics Data System (ADS)

Hirata, Christopher M.; Mishra, Abhilash; Venumadhav, Tejaswi

2018-05-01

We propose a new method to measure the tensor-to-scalar ratio r using the circular polarization of the 21 cm radiation from the pre-reionization epoch. Our method relies on the splitting of the F =1 hyperfine level of neutral hydrogen due to the quadrupole moment of the cosmic microwave background (CMB). We show that unlike the Zeeman effect, where MF=±1 have opposite energy shifts, the CMB quadrupole shifts MF=±1 together relative to MF=0 . This splitting leads to a small circular polarization of the emitted 21 cm radiation. In this paper (Paper I in a series on this effect), we present calculations on the microphysics behind this effect, accounting for all processes that affect the hyperfine transition. We conclude with an analytic formula for the circular polarization from the Dark Ages as a function of pre-reionization parameters and the value of the remote quadrupole of the CMB. We also calculate the splitting of the F =1 hyperfine level due to other anisotropic radiation sources and show that they are not dominant. In a companion paper (Paper II) we make forecasts for measuring the tensor-to-scalar ratio r using future radio arrays.

Band edge engineering of oxide photoanodes for photoelectrochemical water splitting: Integration of subsurface dipoles with atomic-scale control

DOE PAGES

Hikita, Yasuyuki; Nishio, Kazunori; Seitz, Linsey C.; ...

2016-01-22

One of the crucial parameters dictating the efficiency of photoelectrochemical water-splitting is the semiconductor band edge alignment with respect to hydrogen and oxygen redox potentials. Despite the importance of metal oxides in their use as photoelectrodes, studies to control the band edge alignment in aqueous solution have been limited predominantly to compound semiconductors with modulation ranges limited to a few hundred mV. The ability to modulate the flat band potential of oxide photoanodes by as much as 1.3 V, using the insertion of subsurface electrostatic dipoles near a Nb-doped SrTiO 3/aqueous electrolyte interface is reported. Lastly, the tunable range achievedmore » far exceeds previous reports in any semiconductor/aqueous electrolyte system and suggests a general design strategy for highly efficient oxide photoelectrodes.« less

Bose-Fermi symmetry in the odd-even gold isotopes

NASA Astrophysics Data System (ADS)

Thomas, T.; Régis, J.-M.; Jolie, J.; Heinze, S.; Albers, M.; Bernards, C.; Fransen, C.; Radeck, D.

2014-05-01

In this work the results of an in-beam experiment on 195Au are presented, yielding new spins, multipole mixing ratios, and new low-lying states essential for the understanding of this nucleus. The positive-parity states from this work together with compiled data from the available literature for 185-199Au are compared to Interacting Boson Fermion Model calculations employing the Spin(6) Bose-Fermi symmetry. The evolution of the parameters for the τ splitting and the J splitting reveals a smooth behavior. Thereby, a common description based on the Bose-Fermi symmetry is found for 189-199Au. Furthermore, the calculated E2 transition strengths are compared to experimental values with fixed effective boson and fermion charges for all odd-even gold isotopes, emphasizing that the Spin(6) Bose-Fermi symmetry is valid for the gold isotopes.

The EPR study of Mn(2+) ion doped DADT single crystal produced under high pressure and temperature.

PubMed

Ceylan, Ümit; Tapramaz, Recep

2016-01-05

An EPR study on Cu(2+) and VO(2+) doped di ammonium d-tartrate single crystals has been reported in previous papers, but the same host did not accept Mn(2+) ion at the same reaction conditions in previous trials. In this study EPR study of Mn(2+) ion doped di ammonium d tartrate single crystal, (DADT) [(NH4)2C4H4O6], produced in a reactor under high pressure and high temperature. The electronic transitions were determined by the optical absorption spectrum. Hyperfine splitting and g values of the Mn(2+) ion forming a complex in the lattice were measured from experimental spectra and spin-spin dipolar splitting parameters D and E were found by the spectrum simulation techniques. Copyright © 2015 Elsevier B.V. All rights reserved.

Free-vibration characteristics of a large split-blanket solar array in a 1-g field

NASA Technical Reports Server (NTRS)

Shaker, F. J.

1976-01-01

Two methods for studying the free vibration characteristics of a large split blanket solar array in both a 0-g and a 1-g cantilevered configuration are presented. The 0-g configuration corresponds to an in-orbit configuration of the array; the 1-g configuration is a typical ground test configuration. The first method applies the equations of continuum mechanics to determine the mode shapes and frequencies of the array; the second method uses the Rayleigh-Ritz approach. In the Rayleigh-Ritz method the array displacements are represented by string modes and cantilevered beam modes. The results of this investigation are summarized by a series of graphs illustrating the effects of various array parameters on the mode shapes and frequencies of the system. The results of the two methods are also compared in tabular form.

Electron-electron interaction in Multiple Quantum Wells

NASA Astrophysics Data System (ADS)

Zybert, M.; Marchewka, M.; Tomaka, G.; Sheregii, E. M.

2012-07-01

The complex investigation of the magneto-transport effects in structures containing multiple quantum well (MQWs) based on the GaAs/AlGaAs-heterostructures has been performed. The MQWs investigated have different electron densities in QWs. The parameters of 2DEG in MQWs were determined from the data of the Integer Quantum Hall Effect (IQHE) and Shubnikov-de Haas oscillations (SdH) observed at low temperatures (0.6-4.2 K). The method of calculation of the electron states energies in MQWs has been developed which is based on the splitting of these states due to the exchange interaction (SAS-splitting, see D. Płoch et al., Phys. Rev. B 79 (2009) 195434) including the screening of this interaction. The IQHE and SdH observed in these multilayer structures with the third degree of freedom for electrons are interpreted from this.

Analysis of aircraft tires via semianalytic finite elements

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Kim, Kyun O.; Tanner, John A.

1990-01-01

A computational procedure is presented for the geometrically nonlinear analysis of aircraft tires. The tire was modeled by using a two-dimensional laminated anisotropic shell theory with the effects of variation in material and geometric parameters included. The four key elements of the procedure are: (1) semianalytic finite elements in which the shell variables are represented by Fourier series in the circumferential direction and piecewise polynomials in the meridional direction; (2) a mixed formulation with the fundamental unknowns consisting of strain parameters, stress-resultant parameters, and generalized displacements; (3) multilevel operator splitting to effect successive simplifications, and to uncouple the equations associated with different Fourier harmonics; and (4) multilevel iterative procedures and reduction techniques to generate the response of the shell.

Performance Analysis of Hybrid Electric Vehicle over Different Driving Cycles

NASA Astrophysics Data System (ADS)

Panday, Aishwarya; Bansal, Hari Om

2017-02-01

Article aims to find the nature and response of a hybrid vehicle on various standard driving cycles. Road profile parameters play an important role in determining the fuel efficiency. Typical parameters of road profile can be reduced to a useful smaller set using principal component analysis and independent component analysis. Resultant data set obtained after size reduction may result in more appropriate and important parameter cluster. With reduced parameter set fuel economies over various driving cycles, are ranked using TOPSIS and VIKOR multi-criteria decision making methods. The ranking trend is then compared with the fuel economies achieved after driving the vehicle over respective roads. Control strategy responsible for power split is optimized using genetic algorithm. 1RC battery model and modified SOC estimation method are considered for the simulation and improved results compared with the default are obtained.

Calibrating the stress-time curve of a combined finite-discrete element method to a Split Hopkinson Pressure Bar experiment

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

Osthus, Dave; Godinez, Humberto C.; Rougier, Esteban

We presenmore » t a generic method for automatically calibrating a computer code to an experiment, with uncertainty, for a given “training” set of computer code runs. The calibration technique is general and probabilistic, meaning the calibration uncertainty is represented in the form of a probability distribution. We demonstrate the calibration method by calibrating a combined Finite-Discrete Element Method (FDEM) to a Split Hopkinson Pressure Bar (SHPB) experiment with a granite sample. The probabilistic calibration method combines runs of a FDEM computer simulation for a range of “training” settings and experimental uncertainty to develop a statistical emulator. The process allows for calibration of input parameters and produces output quantities with uncertainty estimates for settings where simulation results are desired. Input calibration and FDEM fitted results are presented. We find that the maximum shear strength σ t max and to a lesser extent maximum tensile strength σ n max govern the behavior of the stress-time curve before and around the peak, while the specific energy in Mode II (shear) E t largely governs the post-peak behavior of the stress-time curve. Good agreement is found between the calibrated FDEM and the SHPB experiment. Interestingly, we find the SHPB experiment to be rather uninformative for calibrating the softening-curve shape parameters (a, b, and c). This work stands as a successful demonstration of how a general probabilistic calibration framework can automatically calibrate FDEM parameters to an experiment.« less

Calibrating the stress-time curve of a combined finite-discrete element method to a Split Hopkinson Pressure Bar experiment

DOE PAGES

Osthus, Dave; Godinez, Humberto C.; Rougier, Esteban; ...

2018-05-01

We presenmore » t a generic method for automatically calibrating a computer code to an experiment, with uncertainty, for a given “training” set of computer code runs. The calibration technique is general and probabilistic, meaning the calibration uncertainty is represented in the form of a probability distribution. We demonstrate the calibration method by calibrating a combined Finite-Discrete Element Method (FDEM) to a Split Hopkinson Pressure Bar (SHPB) experiment with a granite sample. The probabilistic calibration method combines runs of a FDEM computer simulation for a range of “training” settings and experimental uncertainty to develop a statistical emulator. The process allows for calibration of input parameters and produces output quantities with uncertainty estimates for settings where simulation results are desired. Input calibration and FDEM fitted results are presented. We find that the maximum shear strength σ t max and to a lesser extent maximum tensile strength σ n max govern the behavior of the stress-time curve before and around the peak, while the specific energy in Mode II (shear) E t largely governs the post-peak behavior of the stress-time curve. Good agreement is found between the calibrated FDEM and the SHPB experiment. Interestingly, we find the SHPB experiment to be rather uninformative for calibrating the softening-curve shape parameters (a, b, and c). This work stands as a successful demonstration of how a general probabilistic calibration framework can automatically calibrate FDEM parameters to an experiment.« less

Strength development in concrete with wood ash blended cement and use of soft computing models to predict strength parameters.

PubMed

Chowdhury, S; Maniar, A; Suganya, O M

2015-11-01

In this study, Wood Ash (WA) prepared from the uncontrolled burning of the saw dust is evaluated for its suitability as partial cement replacement in conventional concrete. The saw dust has been acquired from a wood polishing unit. The physical, chemical and mineralogical characteristics of WA is presented and analyzed. The strength parameters (compressive strength, split tensile strength and flexural strength) of concrete with blended WA cement are evaluated and studied. Two different water-to-binder ratio (0.4 and 0.45) and five different replacement percentages of WA (5%, 10%, 15%, 18% and 20%) including control specimens for both water-to-cement ratio is considered. Results of compressive strength, split tensile strength and flexural strength showed that the strength properties of concrete mixture decreased marginally with increase in wood ash contents, but strength increased with later age. The XRD test results and chemical analysis of WA showed that it contains amorphous silica and thus can be used as cement replacing material. Through the analysis of results obtained in this study, it was concluded that WA could be blended with cement without adversely affecting the strength properties of concrete. Also using a new statistical theory of the Support Vector Machine (SVM), strength parameters were predicted by developing a suitable model and as a result, the application of soft computing in structural engineering has been successfully presented in this research paper.

The electronegativity equalization method and the split charge equilibration applied to organic systems: parametrization, validation, and comparison.

PubMed

Verstraelen, Toon; Van Speybroeck, Veronique; Waroquier, Michel

2009-07-28

An extensive benchmark of the electronegativity equalization method (EEM) and the split charge equilibration (SQE) model on a very diverse set of organic molecules is presented. These models efficiently compute atomic partial charges and are used in the development of polarizable force fields. The predicted partial charges that depend on empirical parameters are calibrated to reproduce results from quantum mechanical calculations. Recently, SQE is presented as an extension of the EEM to obtain the correct size dependence of the molecular polarizability. In this work, 12 parametrization protocols are applied to each model and the optimal parameters are benchmarked systematically. The training data for the empirical parameters comprise of MP2/Aug-CC-pVDZ calculations on 500 organic molecules containing the elements H, C, N, O, F, S, Cl, and Br. These molecules have been selected by an ingenious and autonomous protocol from an initial set of almost 500,000 small organic molecules. It is clear that the SQE model outperforms the EEM in all benchmark assessments. When using Hirshfeld-I charges for the calibration, the SQE model optimally reproduces the molecular electrostatic potential from the ab initio calculations. Applications on chain molecules, i.e., alkanes, alkenes, and alpha alanine helices, confirm that the EEM gives rise to a divergent behavior for the polarizability, while the SQE model shows the correct trends. We conclude that the SQE model is an essential component of a polarizable force field, showing several advantages over the original EEM.

Strength development in concrete with wood ash blended cement and use of soft computing models to predict strength parameters

PubMed Central

Chowdhury, S.; Maniar, A.; Suganya, O.M.

2014-01-01

In this study, Wood Ash (WA) prepared from the uncontrolled burning of the saw dust is evaluated for its suitability as partial cement replacement in conventional concrete. The saw dust has been acquired from a wood polishing unit. The physical, chemical and mineralogical characteristics of WA is presented and analyzed. The strength parameters (compressive strength, split tensile strength and flexural strength) of concrete with blended WA cement are evaluated and studied. Two different water-to-binder ratio (0.4 and 0.45) and five different replacement percentages of WA (5%, 10%, 15%, 18% and 20%) including control specimens for both water-to-cement ratio is considered. Results of compressive strength, split tensile strength and flexural strength showed that the strength properties of concrete mixture decreased marginally with increase in wood ash contents, but strength increased with later age. The XRD test results and chemical analysis of WA showed that it contains amorphous silica and thus can be used as cement replacing material. Through the analysis of results obtained in this study, it was concluded that WA could be blended with cement without adversely affecting the strength properties of concrete. Also using a new statistical theory of the Support Vector Machine (SVM), strength parameters were predicted by developing a suitable model and as a result, the application of soft computing in structural engineering has been successfully presented in this research paper. PMID:26644928

Interaction between Rashba and Zeeman effects in a quantum well channel.

PubMed

Choi, Won Young; Kwon, Jae Hyun; Chang, Joonyeon; Han, Suk Hee; Koo, Hyun Cheol

2014-05-01

The applied field induced Zeeman effect interferes with Rashba effect in a quantum well system. The angle dependence of Shubnikov-de Haas oscillation shows that the in-plane term of the applied field changes the intrinsic Rashba induced spin splitting. The total effective spin-orbit interaction parameter is determined by the vector sum of the Rashba field and the applied field.

Comparison of Frequencies and Rotational Splittings of Solar Acoustic Modes of Low Angular Degree from Simultaneous MDI and GOLF Observations

NASA Astrophysics Data System (ADS)

Bertello, L.; Henney, C. J.; Ulrich, R. K.; Varadi, F.; Kosovichev, A. G.; Scherrer, P. H.; Cortés, T. Roca; Thiery, S.; Boumier, P.; Gabriel, A. H.; Turck-Chièze, S.

2000-06-01

During the years 1996 through 1998 the Michelson Doppler Imager (MDI) and the Global Oscillations at Low Frequency (GOLF) experiments on the Solar and Heliospheric Observatory (SOHO) mission have provided unique and nearly uninterrupted sequences of helioseismic observations. This paper describes the analysis carried out on power spectra from 759 days of calibrated disk-averaged velocity signals provided by these two experiments. The period investigated in this work is from 1996 May 25 to 1998 June 22. We report the results of frequency determination of low-degree (l<=3) acoustic modes in the frequency range between 1.4 mHz and 3.7 mHz. Rotational splittings are also measured for nonradial modes up to 3.0 mHz. The power spectrum estimation of the signals is performed using classical Fourier analysis and the line-profile parameters of the modes are determined by means of a maximum likelihood method. All parameters have been estimated using both symmetrical and asymmetrical line profile-fitting formula. The line asymmetry parameter of all modes with frequency higher than 2.0 mHz is systematically negative and independent of l. This result is consistent with the fact that both MDI and GOLF data sets investigated in this paper are predominantly velocity signals, in agreement with previous results. A comparison of the results between the symmetric and asymmetric fits shows that there is a systematic shift in the frequencies for modes above 2.0 mHz. Below this frequency, the line width of the modes is very small and the time base of the data does not provide enough statistics to reveal an asymmetry. In general, the results show that frequency and rotational splitting values obtained from both the MDI and GOLF signals are in excellent agreement, and no significant differences exist between the two data sets within the accuracy of the measurements. Our results are consistent with a uniform rotation of the solar core at the rate of about 435 nHz and show only very small deviations of the core structure from the standard solar model.

76 FR 13543 - Airworthiness Directives; The Boeing Company Model DC-9-81 (MD-81), DC-9-82 (MD-82), DC-9-83 (MD...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-14

...We propose to adopt a new airworthiness directive (AD) for the products listed above. This proposed AD would require a detailed inspection to detect distress and existing repairs to the leading edge structure of the vertical stabilizer at the splice at Station Zfs = 52.267; repetitive inspections for cracking in the front spar cap forward flanges of the vertical stabilizer, and either the aft flanges or side skins; repetitive inspections for loose and missing fasteners; and related investigative and corrective actions if necessary. This proposed AD was prompted by reports of cracked vertical stabilizer skin, a severed front spar cap, elongated fastener holes at the leading edge of the vertical stabilizer, and a cracked front spar web and front spar cap bolt holes in the vertical stabilizer. We are proposing this AD to detect and correct such cracking damage, which could result in the structure being unable to support limit load, and could lead to the loss of the vertical stabilizer.

Factors that Affected Functional Outcome After a Delayed Excision and Split-Thickness Skin Graft on the Dorsal Side of Burned Hands.

PubMed

Shichinohe, Ryuji; Yamamoto, Yuhei; Kawashima, Kunihiro; Kimura, Chu; Ono, Kentaro; Horiuchi, Katsumi; Yoshida, Tetsunori; Murao, Naoki; Hayashi, Toshihiko; Funayama, Emi; Oyama, Akihiko; Furukawa, Hiroshi

Early excision and skin grafting is the principle treatment for a burned hand although there are occasions when it cannot be done such as severe general condition, delayed consultation, and the lack of a definitive assessment of burn depth. This study analyzes the factors that affected function after a delayed excision and skin graft for hands with a deep dermal burn. This study retrospectively evaluated 43 burned hands that required a delayed excision and split-thickness skin graft on the dorsal side. Cases were required to only have split-thickness skin grafting from the dorsum of the hand and fingers distally to at least the proximal interphalangeal joint at least 8 days after the injury. The hands were divided into two functional categories: Functional category A, normal or nearly normal joint movements, and functional category B, abnormal joint movements. Demographic data were assessed statistically by a univariate analysis following a multiple regression analysis by a stepwise selection. A significant difference was observed between the groups in the number of days from grafting to complete wound healing of the graft site and with or without an escharotomy in the analysis. These parameters were statistically significant predictors of functional category B. The functional outcome of a burned hand after a delayed excision and split-thickness skin graft on the dorsal side became degraded depending on the number of days from grafting to complete wound healing. Cases that underwent an escharotomy also showed deterioration in function.

Anomalous torsional tripling in the ν9 and ν10 CH3-deformation modes of ethane 12CH313CH3

NASA Astrophysics Data System (ADS)

Lattanzi, F.; di Lauro, C.

2017-12-01

We have investigated the anomalous torsional behavior in the coupled ν9 and ν10 vibrational fundamentals of 12CH313CH3, both states exhibiting a splitting into three components, instead of two, only in those rotational levels which are very close to resonance. We conclude that the intrinsic additional splitting, which occurs in the E-torsional components, for these two vibrational states is too small to be detected in the high resolution infrared spectrum, but it is substantively enhanced by their coupling. It is shown that this effect requires the simultaneous action of torsion independent operators, such as Fermi-type and z-Coriolis, not allowed in the more symmetric isotopologue 12CH312CH3, and torsion dependent operators, such as torsional-Coriolis, connecting the two vibrational states. Our conclusions lead to a simple model for the coupling of ν9 and ν10, with effective Fermi-type matrix elements W for the A-torsional components, and W ± w for the two pairs of E-torsional components. This causes the additional splitting in the E-pairs. This model is consistent with the mechanism causing the Coriolis-dependent decrease of the A-E torsional splitting in degenerate vibrational states. Exploratory calculations were performed making use of results from a normal mode analysis, showing that the effects predictable by the proposed model are of the correct order of magnitude compared to the observed features, with coupling parameter values reasonably consistent with those determined by the least squares fit of the observed transition wavenumbers.

Unified Description of the Optical Phonon Modes inN-Layer MoTe2

NASA Astrophysics Data System (ADS)

Froehlicher, Guillaume; Lorchat, Etienne; Fernique, François; Joshi, Chaitanya; Molina-Sánchez, Alejandro; Wirtz, Ludger; Berciaud, Stéphane

2015-10-01

$N$-layer transition metal dichalcogenides provide a unique platform to investigate the evolution of the physical properties between the bulk (three dimensional) and monolayer (quasi two-dimensional) limits. Here, using high-resolution micro-Raman spectroscopy, we report a unified experimental description of the $\\Gamma$-point optical phonons in $N$-layer $2H$-molybdenum ditelluride (MoTe$_2$). We observe a series of $N$-dependent low-frequency interlayer shear and breathing modes (below $40~\\rm cm^{-1}$, denoted LSM and LBM) and well-defined Davydov splittings of the mid-frequency modes (in the range $100-200~\\rm cm^{-1}$, denoted iX and oX), which solely involve displacements of the chalcogen atoms. In contrast, the high-frequency modes (in the range $200-300~\\rm cm^{-1}$, denoted iMX and oMX), arising from displacements of both the metal and chalcogen atoms, exhibit considerably reduced splittings. The manifold of phonon modes associated with the in-plane and out-of-plane displacements are quantitatively described by a force constant model, including interactions up to the second nearest neighbor and surface effects as fitting parameters. The splittings for the iX and oX modes observed in $N$-layer crystals are directly correlated to the corresponding bulk Davydov splittings between the $E_{2u}/E_{1g}$ and $B_{1u}/A_{1g}$ modes, respectively, and provide a measurement of the frequencies of the bulk silent $E_{2u}$ and $B_{1u}$ optical phonon modes. Our analysis could readily be generalized to other layered crystals.

Deformations of free jets

NASA Astrophysics Data System (ADS)

Paruchuri, Srinivas

This thesis studies three different problems. First we demonstrate that a flowing liquid jet can be controllably split into two separate subfilaments through the applications of a sufficiently strong tangential stress to the surface of the jet. In contrast, normal stresses can never split a liquid jet. We apply these results to observations of uncontrolled splitting of jets in electric fields. The experimental realization of controllable jet splitting would provide an entirely novel route for producing small polymeric fibers. In the second chapter we present an analytical model for the bending of liquid jets and sheets from temperature gradients, as recently observed by Chwalek et al. [Phys. Fluids, 14, L37 (2002)]. The bending arises from a local couple caused by Marangoni forces. The dependence of the bending angle on experimental parameters is presented, in qualitative agreement with reported experiments. The methodology gives a simple framework for understanding the mechanisms for jet and sheet bending. In chapter 4 we address the discrepancy between hydrodynamic theory of liquid jets, and the snap-off of narrow liquid jets observed in molecular dynamics (MD) simulations [23]. This has been previously attributed to the significant role of thermal fluctuations in nanofluidic systems. We argue that hydrodynamic description of such systems should include corrections to the Laplace pressure which result from the failure of the sharp interface assumption when the jet diameter becomes small enough. We show that this effect can in principle give rise to jet shapes similar to those observed in MD simulations, even when thermal fluctuations are completely neglected. Finally we summarize an algorithm developed to simulate droplet impact on a smooth surface.

Modeling vehicle operating speed on urban roads in Montreal: a panel mixed ordered probit fractional split model.

PubMed

Eluru, Naveen; Chakour, Vincent; Chamberlain, Morgan; Miranda-Moreno, Luis F

2013-10-01

Vehicle operating speed measured on roadways is a critical component for a host of analysis in the transportation field including transportation safety, traffic flow modeling, roadway geometric design, vehicle emissions modeling, and road user route decisions. The current research effort contributes to the literature on examining vehicle speed on urban roads methodologically and substantively. In terms of methodology, we formulate a new econometric model framework for examining speed profiles. The proposed model is an ordered response formulation of a fractional split model. The ordered nature of the speed variable allows us to propose an ordered variant of the fractional split model in the literature. The proposed formulation allows us to model the proportion of vehicles traveling in each speed interval for the entire segment of roadway. We extend the model to allow the influence of exogenous variables to vary across the population. Further, we develop a panel mixed version of the fractional split model to account for the influence of site-specific unobserved effects. The paper contributes substantively by estimating the proposed model using a unique dataset from Montreal consisting of weekly speed data (collected in hourly intervals) for about 50 local roads and 70 arterial roads. We estimate separate models for local roads and arterial roads. The model estimation exercise considers a whole host of variables including geometric design attributes, roadway attributes, traffic characteristics and environmental factors. The model results highlight the role of various street characteristics including number of lanes, presence of parking, presence of sidewalks, vertical grade, and bicycle route on vehicle speed proportions. The results also highlight the presence of site-specific unobserved effects influencing the speed distribution. The parameters from the modeling exercise are validated using a hold-out sample not considered for model estimation. The results indicate that the proposed panel mixed ordered probit fractional split model offers promise for modeling such proportional ordinal variables. Copyright © 2013 Elsevier Ltd. All rights reserved.

Crustal anisotropy from Moho converted Ps wave splitting and geodynamic implications in Northeastern margin of Tibetan Plateau

NASA Astrophysics Data System (ADS)

Xie, Z.; Wu, Q.; Zhang, R.

2017-12-01

Collision between Indian and Eurasian result in intense deformation and crustal shortening in the Tibetan Plateau. NE margin of Tibetan Plateau experienced complex deformation between Qilian orogen and its adjacent blocks, Alxa Block in the north and Ordos Block in the east. We focus on if there any evidences exist in the NE margin of Tibetan Plateau, which can support crustal channel flow model. China Earthquake Administration had deployed temporary seismic array which is called ChinaArray Phase Ⅱ, dense seismic stations covered NE margin of Tibetan Plateau. Seismic data recorded by 81 seismic stations is applied in this research. We calculated receiver functions with time-domain deconvolution. We selected RFs which have clear Ps phase both in radial and transverse components to measure Ps splitting owing to crustal anisotropy, and 130 pairs of anisotropy parameters of 51 seismic stations were obtained. We would like to discuss about dynamic mechanism of this area using crustal anisotropy associated with the result of SKS-splitting and surface constrains like GPS velocity. The result can be summarized as follows. The large scale of delay time imply that the crustal anisotropy mainly derives from middle to lower crust rather than upper crust. In the southeastern part of the research area, crustal anisotropy is well agree with the result computed form SKS-splitting and GPS velocity directions trending NWW-SEE or E-W direction. This result imply a vertically coherent deformation in the area as the directions of crustal anisotropy trend to be perpendicular to the direction of normal stress. In the middle and north part of the research area, the fast polarization direction of crustal anisotropy is NEE-SWW or E-W direction, parallels with direction of GPS velocity, but differ to the direction of the result of SKS-splitting. This result may imply that decoupled deformation in this area associated with middle to lower crustal flow.

Roles of Bi, M and VO{sub 4} tetrahedron in photocatalytic properties of novel Bi{sub 0.5}M{sub 0.5}VO{sub 4} (M=La, Eu, Sm and Y) solid solutions for overall water splitting

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

Liu Hui; Research Center for Combustion and Environment Technology, Shanghai Jiao Tong University, shanghai 200240; Faculty of Engineering Sciences, Kyushu University, Fukuoka 816-8580

2012-02-15

Novel Bi{sub 0.5}M{sub 0.5}VO{sub 4} (BMV; M=La, Eu, Sm and Y) solid solutions were prepared and studied in this paper. All the samples were proved to produce H{sub 2} and O{sub 2} simultaneously from pure water under the irradiation of UV light. M-O bond lengths were proved to increase with M cations by refining cell parameters and atomic positions. Besides, band gaps, energy gaps and photocatalytic activities of BMV also changed with M cations. Both of M-O and V-O bond lengths were suggested to account for this phenomenon. Inactive A{sub 0.5}Y{sub 0.5}VO{sub 4} (A=La, Ce) for water splitting proved incorporationmore » of Bi rather than distortion of VO{sub 4} tetrahedron was a critical factor for improving efficiency of overall water splitting by facilitating the generation of electron and hole with lighter effective masses. Replacement of Bi by M cations not only gave indirect effect on band structure but also raised position of conduction band minimum to meet requirement of H{sub 2} production. - Graphical abstract: Novel Bi{sub 0.5}M{sub 0.5}VO{sub 4} (M=La, Eu, Sm and Y) solid solutions showed the high and stable photocatalytic activities for overall water splitting with their crystal radii of M elements. Highlights: Black-Right-Pointing-Pointer BMV solid solutions were novel highly efficient V-based photocatalysts for overall water splitting. Black-Right-Pointing-Pointer Photocatalytic activity of BMV solid solution related to the effective ionic radii of M cations. Black-Right-Pointing-Pointer Incorporation of Bi is one of key factors for the highly efficient activity of BMV solid solution. Black-Right-Pointing-Pointer Incorporation of Y is dispensable for H{sub 2} production.« less

Relativistic corrections for screening effects on the energies of hydrogen-like atoms embedded in plasmas

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

Poszwa, A., E-mail: poszwa@matman.uwm.edu.p; Bahar, M. K., E-mail: mussiv58@gmail.com

2015-01-15

The influence of relativistic and plasma screening effects on energies of hydrogen-like atoms embedded in plasmas has been studied. The Dirac equation with a more general exponential cosine screened potential has been solved numerically and perturbatively, by employing the direct perturbation theory. Properties of spectra corresponding to bound states and to different sets of the potential parameters have been studied both in nonrelativistic and relativistic approximations. Binding energies, fine-structure splittings, and relativistic energy shifts have been determined as functions of parameters of the potential. The results have been compared with the ones known from the literature.

Effect of thermal history on Mossbauer signature and hyperfine interaction parameters of copper ferrite

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

Modi, K. B., E-mail: kunalbmodi2003@yahoo.com; Raval, P. Y.; Dulera, S. V.

Two specimens of copper ferrite, CuFe{sub 2}O{sub 4}, have been synthesized by double sintering ceramic technique with different thermal history i.e. slow cooled and quenched. X-ray diffractometry has confirmed single phase fcc spinel structure for slow cooled sample while tetragonal distortion is present in quenched sample. Mossbauer spectral analysis for slow-cooled copper ferrite reveals super position of two Zeeman split sextets along with paramagnetic singlet in the centre position corresponds to delafossite (CuFeO{sub 2}) phase that is completely absent in quenched sample. The hyperfine interaction parameters are highly influenced by heat treatment employed.

Indirect and direct tensile behavior of Devonian oil shales

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

Chong, K.P.; Chen, J.L.; Dana, G.F.

1984-03-01

Ultimate indirect tensile strengths of Devonian oil shales across the bedding planes is a mechanical property parameter important to predicting how oil shale will break. This is particularly important to in-situ fragmentation. The Split Cylinder Test was used to determine the indirect tensile strengths between the bedding planes. Test specimens, cored perpendicular to the bedding planes, representing oil shales of different oil yields taken from Silver Point Quad in DeKalb County, Tennessee and Friendship in Scioto County, Ohio, were subjected to the Split Cylinder Test. Linear regression equations relating ultimate tensile strength across the bedding planes to volume percent ofmore » organic matter in the rock were developed from the test data. In addition, direct tensile strengths were obtained between the bedding planes for the Tennessee oil shales. This property is important for the design of horizontal fractures in oil shales. Typical results were presented.« less

Experimental Demonstration of a Highly Efficient Fan-out Polarization Grating

PubMed Central

Wan, Chenhao; Chen, Jian; Tang, Xiahui; Zhan, Qiwen

2016-01-01

Highly efficient fan-out elements are crucial in coherent beam combining architectures especially in coupled laser resonators where the beam passes through the fan-out element twice per round trip. Although the theoretical efficiency is usually less than 86%, the Dammann gratings are ubiquitously utilized in a variety of types of coherent beam combining systems due to the facile design and fabrication. In the current paper, we experimentally demonstrate a highly efficient fan-out polarization grating. It is the first time to our knowledge that all the three space-variant parameters of a polarization grating are simultaneously optimized to achieve the function of multi-beam splitting. Besides the high fan-out efficiency, the ability to control the polarization states of individual split beams is another advantage of this polarization grating. The novel polarization grating is promising to find applications in laser beam combining systems. PMID:28008972

Spectrum splitting using multi-layer dielectric meta-surfaces for efficient solar energy harvesting

NASA Astrophysics Data System (ADS)

Yao, Yuhan; Liu, He; Wu, Wei

2014-06-01

We designed a high-efficiency dispersive mirror based on multi-layer dielectric meta-surfaces. By replacing the secondary mirror of a dome solar concentrator with this dispersive mirror, the solar concentrator can be converted into a spectrum-splitting photovoltaic system with higher energy harvesting efficiency and potentially lower cost. The meta-surfaces are consisted of high-index contrast gratings (HCG). The structures and parameters of the dispersive mirror (i.e. stacked HCG) are optimized based on finite-difference time-domain and rigorous coupled-wave analysis method. Our numerical study shows that the dispersive mirror can direct light with different wavelengths into different angles in the entire solar spectrum, maintaining very low energy loss. Our approach will not only improve the energy harvesting efficiency, but also lower the cost by using single junction cells instead of multi-layer tandem solar cells. Moreover, this approach has the minimal disruption to the existing solar concentrator infrastructures.

The ground state infrared spectrum of the MnH radical ( 7Σ) from diode laser spectroscopy

NASA Astrophysics Data System (ADS)

Urban, Rolf-Dieter; Jones, Harold

1989-11-01

The infrared spectrum of the manganese hydride radical ( 55MnH) in its ground electronic state ( 7Σ) has been observed using a diode laser spectrometer. The wavenumbers of twelve transitions of the v=1→0 band, five of the v=2→1 band and seven of the v=3→2 band have been measured with a nominal accuracy of ±0.001 cm -1. Coupling between the electronic spin ( S=3) and the overall molecular rotation causes each ro-vibrational transition with N>3 to be split (γ splitting) into seven components each separated by a few hundredths of a wavenumber. In most cases the complete structure was resolved. Correction terms arising from spin-spin coupling had to be included in the analysis. This work has produced the most accurate set of ground-state parameters available for MnH.

Observations of intermediate degree solar oscillations - 1989 April-June

NASA Technical Reports Server (NTRS)

Bachmann, Kurt T.; Schou, Jesper; Brown, Timothy M.

1993-01-01

Frequencies, splittings, and line widths from 85 d of full disk Doppler observations of solar p-modes taken between April 4 and June 30, 1989 are presented. Comparison of the present mode parameters with published Big Bear Solar Observatory (BBSO) results yields good agreement in general and is thus a confirmation of their work using an independent instrument and set of analysis routines. Average differences in p-mode frequencies measured by the two experiments in spring-summer 1989 are explained as a result of differences in the exact periods of data collection during a time of rapidly changing solar activity. It is shown that the present a(1) splitting coefficients for p-modes with nu/L less than 45 micro-Hz suffer from a significant systematic error. Evidence is presented to the effect that a detector distortion or alignment problem, not a problem with the power spectra analysis, is the most likely explanation of this a(1) anomaly.

Showcasing electrode-electrolyte interfacial potential as a vital parameter in the hydrogen generation by metal oxides electrodes

NASA Astrophysics Data System (ADS)

Niveditha, C. V.; Nizamudeen, A. C.; Ramanarayanan, Rajita; Jabeen Fatima, M. J.; Swaminathan, Sindhu

2018-03-01

This investigation presents a new insight by experimentally demonstrating electrode-electrolyte interface potential that is flat band potential as a determinant in photoelectrochemical splitting of water. Two different metal oxides namely n type, nitrogen doped titania and p type copper oxides have been synthesized for the study. The flat band potential values of these oxide systems were obtained from Mott-Schottky analysis. The obtained flat band potential is used as a marker to fix the working potential in water splitting experiment. To obtain optimum photocurrent a potential more positive than flatband is applied to n-type N-TiO2 and vice-versa for p-type Cu2O. The findings are well supported by I-t curves derived from chronoamperometric measurements. Finally the mechanisms behind interfacial potential dynamics have been discussed in this work.

SU(5) unification with TeV-scale leptoquarks

DOE PAGES

Cox, Peter; Kusenko, Alexander; Sumensari, Olcyr; ...

2017-03-07

It has previously been noted that SU(5) unification can be achieved via the simple addition of light scalar leptoquarks from two split 10 multiplets. We explore the parameter space of this model in detail and find that unification requires at least one leptoquark to have mass below ≈ 16 TeV. We point out that introducing splitting of the 24 allows the unification scale to be raised beyond 10 16 GeV, while a U(1) PQ symmetry can be imposed to forbid dangerous proton decay mediated by the light leptoquarks. The latest bounds from LHC searches are combined and we find thatmore » a leptoquark as light as 400 GeV is still permitted. Finally, we discuss the interesting possibility that the leptoquarks required for unification could also be responsible for the 2.6σ deviation observed in the ratio R K at LHCb.« less

InGaAsBi alloys on InP for efficient near- and mid-infrared light emitting devices

NASA Astrophysics Data System (ADS)

Jin, Shirong; John Sweeney, Stephen

2013-12-01

We present the band parameters such as band gap, spin-orbit splitting energy, band offsets and strain of InGaAsBi on InP based on recent experimental data. It is shown that InGaAsBi is promising for near- and mid-infrared photonic devices operating from 0.3-0.8 eV (1.5-4 μm) on conventional InP substrates. We also show how bismuth may be used to form alloys whereby the spin-orbit splitting energy (ΔSO) is large and controllable and can, for example, be made larger than the band gap (Eg) thereby providing a means of suppressing non-radiative hot-hole producing Auger recombination and inter-valence band absorption both involving the spin-orbit band. This is expected to improve the high-temperature performance and thermal stability of light emitting devices.

Delocalization of Coherent Triplet Excitons in Linear Rigid Rod Conjugated Oligomers.

PubMed

Hintze, Christian; Korf, Patrick; Degen, Frank; Schütze, Friederike; Mecking, Stefan; Steiner, Ulrich E; Drescher, Malte

2017-02-02

In this work, the triplet state delocalization in a series of monodisperse oligo(p-phenyleneethynylene)s (OPEs) is studied by pulsed electron paramagnetic resonance (EPR) and pulsed electron nuclear double resonance (ENDOR) determining zero-field splitting, optical spin polarization, and proton hyperfine couplings. Neither the zero-field splitting parameters nor the optical spin polarization change significantly with OPE chain length, in contrast to the hyperfine coupling constants, which showed a systematic decrease with chain length n according to a 2/(1 + n) decay law. The results provide striking evidence for the Frenkel-type nature of the triplet excitons exhibiting full coherent delocalization in the OPEs under investigation with up to five OPE repeat units and with a spin density distribution described by a nodeless particle in the box wave function. The same model is successfully applied to recently published data on π-conjugated porphyrin oligomers.

Coolant mixing in LMFBR rod bundles and outlet plenum mixing transients. Final report

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

Todreas, N.E.; Cheng, S.K.; Basehore, K.

1984-08-01

This project principally undertook the investigation of the thermal hydraulic performance of wire wrapped fuel bundles of LMFBR configuration. Results obtained included phenomenological models for friction factors, flow split and mixing characteristics; correlations for predicting these characteristics suitable for insertion in design codes; numerical codes for analyzing bundle behavior both of the lumped subchannel and distributed parameter categories and experimental techniques for pressure velocity, flow split, salt conductivity and temperature measurement in water cooled mockups of bundles and subchannels. Flow regimes investigated included laminar, transition and turbulent flow under forced convection and mixed convection conditions. Forced convections conditions were emphasized.more » Continuing efforts are underway at MIT to complete the investigation of the mixed convection regime initiated here. A number of investigations on outlet plenum behavior were also made. The reports of these investigations are identified.« less

Security of subcarrier wave quantum key distribution against the collective beam-splitting attack.

PubMed

Miroshnichenko, G P; Kozubov, A V; Gaidash, A A; Gleim, A V; Horoshko, D B

2018-04-30

We consider a subcarrier wave quantum key distribution (QKD) system, where quantum encoding is carried out at weak sidebands generated around a coherent optical beam as a result of electro-optical phase modulation. We study security of two protocols, B92 and BB84, against one of the most powerful attacks for this class of systems, the collective beam-splitting attack. Our analysis includes the case of high modulation index, where the sidebands are essentially multimode. We demonstrate numerically and experimentally that a subcarrier wave QKD system with realistic parameters is capable of distributing cryptographic keys over large distances in presence of collective attacks. We also show that BB84 protocol modification with discrimination of only one state in each basis performs not worse than the original BB84 protocol in this class of QKD systems, thus significantly simplifying the development of cryptographic networks using the considered QKD technique.

A nuclear magnetic double resonance study of N-beta-bis-(beta'-chloroethyl) phosphonylethyl-DL-phenylalanine.

PubMed

Friedman, M; Boyd, W A

1977-01-01

Studies were carried out on the effect of decoupling, deuterium labeling, concentration, temperature, and solvent media on the NMR parameters of the vinyl phosphonate adduct of phenylalanine, C6H5CH2CH(COO-)NH2+CH2CH2PO(OCH2CH2C1)2. The results permit assignments of chemical shifts and coupling constants to the various protons of this molecule which contains unique structural features. The NH2+-CH2-protons are deshielded by more than 1 ppm than the CH2-PO-protons. The -OCH2-protons are nonequivalent exhibiting a fine split. Possible sources of the fine split include NH...O=P hydrogen bonding. The deuterium-labeling method should be applicable for synthesizing deuterium-and tritium-labeled crosslinked amino acids such as lysinoalanine and lanthionine and demonstrating analgous dehydroalanine-alpha-amino group-crosslinking.

Gauge mediated mini-split

DOE PAGES

Cohen, Timothy; Craig, Nathaniel; Knapen, Simon

2016-03-15

We propose a simple model of split supersymmetry from gauge mediation. This model features gauginos that are parametrically a loop factor lighter than scalars, accommodates a Higgs boson mass of 125 GeV, and incorporates a simple solution to the μ–b μ problem. The gaugino mass suppression can be understood as resulting from collective symmetry breaking. Imposing collider bounds on μ and requiring viable electroweak symmetry breaking implies small a-terms and small tan β — the stop mass ranges from 10 5 to 10 8 GeV. In contrast with models with anomaly + gravity mediation (which also predict a one-loop loopmore » suppression for gaugino masses), our gauge mediated scenario predicts aligned squark masses and a gravitino LSP. Gluinos, electroweakinos and Higgsinos can be accessible at the LHC and/or future colliders for a wide region of the allowed parameter space.« less

The Zeeman splitting of bulk 2H-MoTe2 single crystal in high magnetic field

NASA Astrophysics Data System (ADS)

Sun, Yan; Zhang, Junpei; Ma, Zongwei; Chen, Cheng; Han, Junbo; Chen, Fangchu; Luo, Xuan; Sun, Yuping; Sheng, Zhigao

2017-03-01

A high magnetic field magneto-optical spectrum is utilized to study the A exciton of bulk 2H-MoTe2 single crystal. A clear Zeeman splitting of the A exciton is observed under high magnetic fields up to 41.68 T, and the g-factor (-2.09 ± 0.08) is deduced. Moreover, a high magnetic field enables us to obtain the quadratic diamagnetic shifts of the A exciton (0.486 μeV T-2). Accordingly, the binding energy, reduced mass, and radius of the A exciton were obtained by using both two and three dimensional models. Compared with other transition metal dichalcogenides (TMDs), the A exciton of bulk 2H-MoTe2 has a relatively small binding energy and larger exciton radius, which provide fundamental parameters for comprehensive understanding of excitons in TMDs as well as their future applications.

Complex-envelope alternating-direction-implicit FDTD method for simulating active photonic devices with semiconductor/solid-state media.

PubMed

Singh, Gurpreet; Ravi, Koustuban; Wang, Qian; Ho, Seng-Tiong

2012-06-15

A complex-envelope (CE) alternating-direction-implicit (ADI) finite-difference time-domain (FDTD) approach to treat light-matter interaction self-consistently with electromagnetic field evolution for efficient simulations of active photonic devices is presented for the first time (to our best knowledge). The active medium (AM) is modeled using an efficient multilevel system of carrier rate equations to yield the correct carrier distributions, suitable for modeling semiconductor/solid-state media accurately. To include the AM in the CE-ADI-FDTD method, a first-order differential system involving CE fields in the AM is first set up. The system matrix that includes AM parameters is then split into two time-dependent submatrices that are then used in an efficient ADI splitting formula. The proposed CE-ADI-FDTD approach with AM takes 22% of the time as the approach of the corresponding explicit FDTD, as validated by semiconductor microdisk laser simulations.

Water pair potential of near spectroscopic accuracy. II. Vibration-rotation-tunneling levels of the water dimer

NASA Astrophysics Data System (ADS)

Groenenboom, G. C.; Wormer, P. E. S.; van der Avoird, A.; Mas, E. M.; Bukowski, R.; Szalewicz, K.

2000-10-01

Nearly exact six-dimensional quantum calculations of the vibration-rotation-tunneling (VRT) levels of the water dimer for values of the rotational quantum numbers J and K ⩽2 show that the SAPT-5s water pair potential presented in the preceding paper (paper I) gives a good representation of the experimental high-resolution far-infrared spectrum of the water dimer. After analyzing the sensitivity of the transition frequencies with respect to the linear parameters in the potential we could further improve this potential by using only one of the experimentally determined tunneling splittings of the ground state in (H2O)2. The accuracy of the resulting water pair potential, SAPT-5st, is established by comparison with the spectroscopic data of both (H2O)2 and (D2O)2: ground and excited state tunneling splittings and rotational constants, as well as the frequencies of the intermolecular vibrations.

Attosecond twin-pulse control by generalized kinetic heterodyne mixing.

PubMed

Raith, Philipp; Ott, Christian; Pfeifer, Thomas

2011-01-15

Attosecond double-pulse (twin-pulse) production in high-order harmonic generation is manipulated by a combination of two-color and carrier-envelope phase-control methods. As we show in numerical simulations, both relative amplitude and phase of the double pulse can be independently set by making use of multidimensional parameter control. Two technical implementation routes are discussed: kinetic heterodyning using second-harmonic generation and split-spectrum phase-step control.

A study of muon neutrino disappearance in the MINOS detectors and the NuMI beam

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

Ling, Jiajie

2010-01-01

There is now substantial evidence that the proper description of neutrino involves two representations related by the 3 x 3 PMNS matrix characterized by either distinct mass or flavor. The parameters of this mixing matrix, three angles and a phase, as well as the mass differences between the three mass eigenstates must be determined experimentally. The Main Injector Neutrino Oscillation Search experiment is designed to study the flavor composition of a beam of muon neutrinos as it travels between the Near Detector at Fermi National Accelerator Laboratory at 1 km from the target, and the Far Detector in the Soudanmore » iron mine in Minnesota at 735 km from the target. From the comparison of reconstructed neutrino energy spectra at the near and far location, precise measurements of neutrino oscillation parameters from muon neutrino disappearance and electron neutrino appearance are expected. It is very important to know the neutrino flux coming from the source in order to achieve the main goal of the MINOS experiment: precise measurements of the atmospheric mass splitting |Δm 23 2|, sin 2 θ 23. The goal of my thesis is to accurately predict the neutrino flux for the MINOS experiment and measure the neutrino mixing angle and atmospheric mass splitting.« less

Computational split-field finite-difference time-domain evaluation of simplified tilt-angle models for parallel-aligned liquid-crystal devices

NASA Astrophysics Data System (ADS)

Márquez, Andrés; Francés, Jorge; Martínez, Francisco J.; Gallego, Sergi; Álvarez, Mariela L.; Calzado, Eva M.; Pascual, Inmaculada; Beléndez, Augusto

2018-03-01

Simplified analytical models with predictive capability enable simpler and faster optimization of the performance in applications of complex photonic devices. We recently demonstrated the most simplified analytical model still showing predictive capability for parallel-aligned liquid crystal on silicon (PA-LCoS) devices, which provides the voltage-dependent retardance for a very wide range of incidence angles and any wavelength in the visible. We further show that the proposed model is not only phenomenological but also physically meaningful, since two of its parameters provide the correct values for important internal properties of these devices related to the birefringence, cell gap, and director profile. Therefore, the proposed model can be used as a means to inspect internal physical properties of the cell. As an innovation, we also show the applicability of the split-field finite-difference time-domain (SF-FDTD) technique for phase-shift and retardance evaluation of PA-LCoS devices under oblique incidence. As a simplified model for PA-LCoS devices, we also consider the exact description of homogeneous birefringent slabs. However, we show that, despite its higher degree of simplification, the proposed model is more robust, providing unambiguous and physically meaningful solutions when fitting its parameters.

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

DOE PAGES

Wu, M.; Xin, Houlin L.; Wang, J. O.; ...

2018-04-24

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

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

Wu, M.; Xin, Houlin L.; Wang, J. O.

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Understanding the magnetoelastic behavior of pure and Co substituted GdNi

NASA Astrophysics Data System (ADS)

Paudyal, Durga; Mudryk, Y.; Pecharsky, V. K.; Gschneidner, K. A., Jr.

Total-energy calculations employing local spin density approximation including Hubbard U (onsite electron correlation) parameter and temperature and magnetic field dependent x-ray diffraction experiments show large anisotropic shifts in lattice parameters and a giant linear magnetostriction without a structural transformation and a negligible volume magnetostriction in GdNi. In agreement with the magnetization and heat-capacity experiments, the total-energy and band splitting results confirm that the anisotropic shape changes in GdNi are associated with the second-order ferromagnetic to paramagnetic transformation. When the band splitting due to the ferromagnetic ordering of the 4 fmoments increases, the concomitant anisotropic changes in the lattice minimize the total free energy of the crystal indicating an unusual interplay between magnetism and crystal structure. The positive formation energy at 0K and the nature of the density of states at the Fermi level confirm an unstable equiatomic Gd compound when Ni is fully substituted by Co. However, the enhanced effective exchange interactions with small Co substitutions increase the Curie temperature without losing the chemical stability. The Ames Laboratory is operated for the US DOE by Iowa State. This work was supported by the DOE, Office of Basic Energy Sciences, Materials Sciences Division under Contract No. DE-AC02-07CH11358.

Tchebichef moment based restoration of Gaussian blurred images.

PubMed

Kumar, Ahlad; Paramesran, Raveendran; Lim, Chern-Loon; Dass, Sarat C

2016-11-10

With the knowledge of how edges vary in the presence of a Gaussian blur, a method that uses low-order Tchebichef moments is proposed to estimate the blur parameters: sigma (σ) and size (w). The difference between the Tchebichef moments of the original and the reblurred images is used as feature vectors to train an extreme learning machine for estimating the blur parameters (σ,w). The effectiveness of the proposed method to estimate the blur parameters is examined using cross-database validation. The estimated blur parameters from the proposed method are used in the split Bregman-based image restoration algorithm. A comparative analysis of the proposed method with three existing methods using all the images from the LIVE database is carried out. The results show that the proposed method in most of the cases performs better than the three existing methods in terms of the visual quality evaluated using the structural similarity index.

Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters.

PubMed

Rácz, A; Bajusz, D; Héberger, K

2015-01-01

Recent implementations of QSAR modelling software provide the user with numerous models and a wealth of information. In this work, we provide some guidance on how one should interpret the results of QSAR modelling, compare and assess the resulting models, and select the best and most consistent ones. Two QSAR datasets are applied as case studies for the comparison of model performance parameters and model selection methods. We demonstrate the capabilities of sum of ranking differences (SRD) in model selection and ranking, and identify the best performance indicators and models. While the exchange of the original training and (external) test sets does not affect the ranking of performance parameters, it provides improved models in certain cases (despite the lower number of molecules in the training set). Performance parameters for external validation are substantially separated from the other merits in SRD analyses, highlighting their value in data fusion.

Another look at zonal flows: Resonance, shearing, and frictionless saturation

NASA Astrophysics Data System (ADS)

Li, J. C.; Diamond, P. H.

2018-04-01

We show that shear is not the exclusive parameter that represents all aspects of flow structure effects on turbulence. Rather, wave-flow resonance enters turbulence regulation, both linearly and nonlinearly. Resonance suppresses the linear instability by wave absorption. Flow shear can weaken the resonance, and thus destabilize drift waves, in contrast to the near-universal conventional shear suppression paradigm. Furthermore, consideration of wave-flow resonance resolves the long-standing problem of how zonal flows (ZFs) saturate in the limit of weak or zero frictional drag, and also determines the ZF scale. We show that resonant vorticity mixing, which conserves potential enstrophy, enables ZF saturation in the absence of drag, and so is effective at regulating the Dimits up-shift regime. Vorticity mixing is incorporated as a nonlinear, self-regulation effect in an extended 0D predator-prey model of drift-ZF turbulence. This analysis determines the saturated ZF shear and shows that the mesoscopic ZF width scales as LZ F˜f3 /16(1-f ) 1 /8ρs5/8l03 /8 in the (relevant) adiabatic limit (i.e., τckk‖2D‖≫1 ). f is the fraction of turbulence energy coupled to ZF and l0 is the base state mixing length, absent ZF shears. We calculate and compare the stationary flow and turbulence level in frictionless, weakly frictional, and strongly frictional regimes. In the frictionless limit, the results differ significantly from conventionally quoted scalings derived for frictional regimes. To leading order, the flow is independent of turbulence intensity. The turbulence level scales as E ˜(γL/εc) 2 , which indicates the extent of the "near-marginal" regime to be γL<εc , for the case of avalanche-induced profile variability. Here, εc is the rate of dissipation of potential enstrophy and γL is the characteristic linear growth rate of fluctuations. The implications for dynamics near marginality of the strong scaling of saturated E with γL are discussed.

Dynamic coordinated control during mode transition process for a compound power-split hybrid electric vehicle

NASA Astrophysics Data System (ADS)

Su, Yanzhao; Hu, Minghui; Su, Ling; Qin, Datong; Zhang, Tong; Fu, Chunyun

2018-07-01

The fuel economy of the hybrid electric vehicles (HEVs) can be effectively improved by the mode transition (MT). However, for a power-split powertrain whose power-split transmission is directly connected to the engine, the engine ripple torque (ERT), inconsistent dynamic characteristics (IDC) of engine and motors, model estimation inaccuracies (MEI), system parameter uncertainties (SPU) can cause jerk and vibration of transmission system during the MT process, which will reduce the driving comfort and the life of the drive parts. To tackle these problems, a dynamic coordinated control strategy (DCCS), including a staged engine torque feedforward and feedback estimation (ETFBC) and an active damping feedback compensation (ADBC) based on drive shaft torque estimation (DSTE), is proposed. And the effectiveness of this strategy is verified using a plant model. Firstly, the powertrain plant model is established, and the MT process and problems are analyzed. Secondly, considering the characteristics of the engine torque estimation (ETE) model before and after engine ignition, a motor torque compensation control based on the staged ERT estimation is developed. Then, considering the MEI, SPU and the load change, an ADBC based on a real-time nonlinear reduced-order robust observer of the DSTE is designed. Finally, the simulation results show that the proposed DCCS can effectively improve the driving comfort.

Modelling and investigation of partial wetting surfaces for drop dynamics using lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Pravinraj, T.; Patrikar, Rajendra

2017-07-01

Partial wetting surfaces and its influence on the droplet movement of micro and nano scale being contemplated for many useful applications. The dynamics of the droplet usually analyzed with a multiphase lattice Boltzmann method (LBM). In this paper, the influence of partial wetting surface on the dynamics of droplet is systematically analyzed for various cases. Splitting of droplets due to chemical gradient of the surface is studied and analyses of splitting time for various widths of the strips for different Weber numbers are computed. With the proposed model one can tune the splitting volume and time by carefully choosing a strip width and droplet position. The droplet spreading on chemically heterogeneous surfaces shows that the spreading can be controlled not only by parameters of Weber number but also by tuning strip width ratio. The transportation of the droplet from hydrophobic surface to hydrophilic surface due to chemical gradient is simulated and analyzed using our hybrid thermodynamic-image processing technique. The results prove that with the progress of time the surface free energy decreases with increase in spreading area. Finally, the transportation of a droplet on microstructure gradient is demonstrated. The model explains the temporal behaviour of droplet during the spreading, recoiling and translation along with tracking of contact angle hysteresis phenomenon.

Effects of ultrashort laser pulses on angular distributions of photoionization spectra.

PubMed

Ooi, C H Raymond; Ho, W L; Bandrauk, A D

2017-07-27

We study the photoelectron spectra by intense laser pulses with arbitrary time dependence and phase within the Keldysh framework. An efficient semianalytical approach using analytical transition matrix elements for hydrogenic atoms in any initial state enables efficient and accurate computation of the photoionization probability at any observation point without saddle point approximation, providing comprehensive three dimensional photoelectron angular distribution for linear and elliptical polarizations, that reveal the intricate features and provide insights on the photoionization characteristics such as angular dispersions, shift and splitting of photoelectron peaks from the tunneling or above threshold ionization(ATI) regime to non-adiabatic(intermediate) and multiphoton ionization(MPI) regimes. This facilitates the study of the effects of various laser pulse parameters on the photoelectron spectra and their angular distributions. The photoelectron peaks occur at multiples of 2ħω for linear polarization while  odd-ordered peaks are suppressed in the direction perpendicular to the electric field. Short pulses create splitting and angular dispersion where the peaks are strongly correlated to the angles. For MPI and elliptical polarization with shorter pulses the peaks split into doublets and the first peak vanishes. The carrier envelope phase(CEP) significantly affects the ATI spectra while the Stark effect shifts the spectra of intermediate regime to higher energies due to interference.

Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors

NASA Astrophysics Data System (ADS)

Dey, Anup; Maiti, Biswajit; Chanda Sarkar, Debasree

2014-04-01

A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k→) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg1-xCdxTe, and In1-xGaxAsyP1-y lattice matched to InP, as example of III-V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.

The aging process of optical couplers by gamma irradiation

NASA Astrophysics Data System (ADS)

Bednarek, Lukas; Marcinka, Ondrej; Perecar, Frantisek; Papes, Martin; Hajek, Lukas; Nedoma, Jan; Vasinek, Vladimir

2015-08-01

Scientists have recently discovered that the ageing process of optical elements is faster than it was originally anticipated. It is mostly due to the multiple increases of the optical power in optical components, the introduction of wavelength division multiplexers and, overall, the increased flow of traffic in optical communications. This article examines the ageing process of optical couplers and it focuses on their performance parameters. It describes the measurement procedure followed by the evaluation of the measurement results. To accelerate the ageing process, gamma irradiation from 60Co was used. The results of the measurements of the optical coupler with one input and eight outputs (1:8) were summarized. The results gained by measuring of the optical coupler with one input and four outputs (1:4) as well as of the optical couplers with one input and two outputs (1:2) with different split ratios were also processed. The optical powers were measured on the input and the outputs of each branch of each optical coupler at the wavelengths of 1310 nm and 1550 nm. The parameters of the optical couplers were subsequently calculated according to the appropriate formulas. These parameters were the insertion loss of the individual branches, split ratio, total losses, homogeneity of the losses and directionalities alias cross-talk between the individual output branches. The gathered data were summarized before and after the first irradiation when the configuration of the couplers was 1:8 and 1:4. The data were summarized after the third irradiation when the configuration of the couplers was 1:2.

Shear wave splitting hints at dynamical features of mantle convection: a global study of homogeneously processed source and receiver side upper mantle anisotropy

NASA Astrophysics Data System (ADS)

Walpole, J.; Wookey, J. M.; Masters, G.; Kendall, J. M.

2013-12-01

The asthenosphere is embroiled in the process of mantle convection. Its viscous properties allow it to flow around sinking slabs and deep cratonic roots as it is displaced by intruding material and dragged around by the moving layer above. As the asthenosphere flows it develops a crystalline fabric with anisotropic crystals preferentially aligned in the direction of flow. Meanwhile, the lithosphere above deforms as it is squeezed and stretched by underlying tectonic processes, enabling anisotropic fabrics to develop and become fossilised in the rigid rock and to persist over vast spans of geological time. As a shear wave passes through an anisotropic medium it splits into two orthogonally polarised quasi shear waves that propagate at different velocities (this phenomenon is known as shear wave splitting). By analysing the polarisation and the delay time of many split waves that have passed through a region it is possible to constrain the anisotropy of the medium in that region. This anisotropy is the key to revealing the deformation history of the deep Earth. In this study we present measurements of shear wave splitting recorded on S, SKS, and SKKS waves from earthquakes recorded at stations from the IRIS DMC catalogue (1976-2010). We have used a cluster analysis phase picking technique [1] to pick hundreds of thousands of high signal to noise waveforms on long period data. These picks are used to feed the broadband data into an automated processing workflow that recovers shear wave splitting parameters [2,3]. The workflow includes a new method for making source and receiver corrections, whereby the stacked error surfaces are used as input to correction rather than a single set of parameters, this propagates uncertainty information into the final measurement. Using SKS, SKKS, and source corrected S, we recover good measurements of anisotropy beneath 1,569 stations. Using receiver corrected S we recover good measurements of anisotropy beneath 470 events. We compare our results to a large compilation of previous regional studies and find good agreement. Our results are compared with upper mantle anisotropy recovered from surface waves, and other seismic observables such as wave speed tomography. The comparison with tomography beneath the USA is particularly interesting; here we observe the vivid toroidal swirl beneath Nevada branching off along the Snake River Plateau in excellent agreement with tomographic images at 150 km depth. We compare our results to absolute plate motion vectors to see how well drag from the plate can explain the development of anisotropic fabric; and to a more sophisticated asthenospheric flow model which takes into account the effect of mantle density heterogeneities [4]. Finally, we investigate patterns in the source side anisotropy, globally we detect a fabric with a fast shear wave polarisation parallel to the strike of subducting slabs, however, in several regions interesting deviations are found. [1] Houser et al. (2008) Geophys. J. Int. (2008) 174, 195-212. [2] Teanby et al. (2004). Bulletin Of The Seismological Society Of America, 94(2), 453-463. [3] Wuestefeld et al. (2010). Geophysical Prospecting, 58(5), 753-771. [4] Conrad & Behn (2010). Geochemistry Geophysics Geosystems, 11.

Enhanced microwave characterisation technique for cryogenic temperatures

NASA Astrophysics Data System (ADS)

Smuk, J. W.; Stubbs, M. G.; Wight, J. S.

1990-12-01

A real-time technique to de-embed broadband S-parameter measurements of MIC/MMIC devices at temperatures down to 13 K is presented. Exceptional accuracy is obtained by using a split-block test fixture and the TRL calibration technique at cryogenic temperatures for the first time. The repeatability of the technique and the measurement of a transmission line at 297 K and 77 K are demonstrated from 0.1 GHz to 20 GHz.

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

Dergachev, A A; Kandidov, V P; Shlenov, S A

We have demonstrated experimentally and numerically the possibility of controlling parameters of plasma channels formed during filamentation of a femtosecond laser pulse by introducing astigmatism in the laser beam wavefront. It is found that weak astigmatism increases the length of the plasma channel in comparison with the case of aberration-free focusing and that strong astigmatism can cause splitting of the plasma channel into two channels located one after another on the filament axis. (interaction of laser radiation with matter. laser plasma)

Iterative Nonlocal Total Variation Regularization Method for Image Restoration

PubMed Central

Xu, Huanyu; Sun, Quansen; Luo, Nan; Cao, Guo; Xia, Deshen

2013-01-01

In this paper, a Bregman iteration based total variation image restoration algorithm is proposed. Based on the Bregman iteration, the algorithm splits the original total variation problem into sub-problems that are easy to solve. Moreover, non-local regularization is introduced into the proposed algorithm, and a method to choose the non-local filter parameter locally and adaptively is proposed. Experiment results show that the proposed algorithms outperform some other regularization methods. PMID:23776560

EM Propagation & Atmospheric Effects Assessment

DTIC Science & Technology

2008-09-30

The split-step Fourier parabolic equation ( SSPE ) algorithm provides the complex amplitude and phase (group delay) of the continuous wave (CW) signal...the APM is based on the SSPE , we are implementing the more efficient Fourier synthesis technique to determine the transfer function. To this end a...needed in order to sample H(f) via the SSPE , and indeed with the proper parameters chosen, the two pulses can be resolved in the time window shown in

Seismic receiver function interpretation: Ps splitting or anisotropic underplating?

NASA Astrophysics Data System (ADS)

Liu, Z.; Park, J. J.

2016-12-01

Crustal anisotropy is crucial to understanding the evolutionary history of Earth's lithosphere. Shear-wave splitting of Moho P-to-s converted phases in receiver functions has often been used to infer crustal anisotropy. In addition to estimating birefringence directly, the harmonic variations of Moho Ps phases in delay times can be used to infer splitting parameters of averaged anisotropy in the crust. However, crustal anisotropy may localize at various levels within the crust due to complex deformational processes. Layered anisotropy requires careful investigation of the distribution of anisotropy before interpreting Moho Ps splitting. In this study, we show results from stations ARU in Russia, KIP in Hawaiian Islands and LSA in Tibetan Plateau, where layered anisotropy is well constrained by intra-crust Ps conversions at high frequencies using harmonic decomposition of multiple-taper correlation receiver functions. Anisotropic velocity models are inferred by forward-modeling decomposed RF waveforms. Our results of ARU and KIP show that the harmonic behavior of Moho Ps phases can be explained by a uniformly anisotropic crust model at lower cut-off frequencies, but higher-resolution RF-signals reveal a thin, highly anisotropic layer at the base of the crust. Station LSA tells a similar story with a twist: a modest Ps birefringence is revealed at high frequencies to stem from multiple thin (5-10-km) layers of localized anisotropy within the middle crust, but no strongly-sheared basal layer is inferred. We suggest that the harmonic variation of Moho Ps phases should always be investigated as a result of anisotropic layering using RFs with frequency content above 1Hz, rather than simply reporting averaged anisotropy of the whole crust.

Entropy Splitting for High Order Numerical Simulation of Compressible Turbulence

NASA Technical Reports Server (NTRS)

Sandham, N. D.; Yee, H. C.; Kwak, Dochan (Technical Monitor)

2000-01-01

A stable high order numerical scheme for direct numerical simulation (DNS) of shock-free compressible turbulence is presented. The method is applicable to general geometries. It contains no upwinding, artificial dissipation, or filtering. Instead the method relies on the stabilizing mechanisms of an appropriate conditioning of the governing equations and the use of compatible spatial difference operators for the interior points (interior scheme) as well as the boundary points (boundary scheme). An entropy splitting approach splits the inviscid flux derivatives into conservative and non-conservative portions. The spatial difference operators satisfy a summation by parts condition leading to a stable scheme (combined interior and boundary schemes) for the initial boundary value problem using a generalized energy estimate. A Laplacian formulation of the viscous and heat conduction terms on the right hand side of the Navier-Stokes equations is used to ensure that any tendency to odd-even decoupling associated with central schemes can be countered by the fluid viscosity. A special formulation of the continuity equation is used, based on similar arguments. The resulting methods are able to minimize spurious high frequency oscillation producing nonlinear instability associated with pure central schemes, especially for long time integration simulation such as DNS. For validation purposes, the methods are tested in a DNS of compressible turbulent plane channel flow at a friction Mach number of 0.1 where a very accurate turbulence data base exists. It is demonstrated that the methods are robust in terms of grid resolution, and in good agreement with incompressible channel data, as expected at this Mach number. Accurate turbulence statistics can be obtained with moderate grid sizes. Stability limits on the range of the splitting parameter are determined from numerical tests.

Hierarchically 3D assembled strontium titanate nanomaterials for water splitting application

NASA Astrophysics Data System (ADS)

Moniruddin, Md; Afroz, Khurshida; Shabdan, Yerkin; Bizri, Baraa; Nuraje, Nurxat

2017-10-01

Water splitting is an important technique to store solar energy in the simple form of chemical energy, such as hydrogen. Strontium titanate (SrTiO3) is one of the most promising photocatalysts to produce hydrogen gas from water splitting. In this research, an electrospinning technique in combination with sol-gel method was developed to synthesize 3D porous SrTiO3 nanostructures. Different crystallite sizes of SrTiO3-nanofibers (STO-NFs) were produced by varying the synthesis parameters including precursor concentration and calcination temperature. The synthesized nanofibers were characterized using DSC, TGA, XRD, SEM, and TEM. The crystallite size of STO-NFs decreases with increasing precursor concentration (3.03-15.78 vol.%) and gradually increases as the calcination temperature increases within the range of 600-800 °C. The photocatalytic activity of different STO-NFs (based on crystallite size) was also evaluated by the amount of H2 production from water splitting under UV irradiation. The H2 evolution study demonstrated that the photocatalytic activity of the STO-NFs strongly depends on the crystallite size of the nanofibers, precursor concentration, and calcination temperature. The H2 production rate increases with increasing crystallite size and temperature, whereas it decreases with increasing precursor concentration. The photocatalytic performance of the STO-NFs was also compared with the commercial SrTiO3 nanoparticles (STO-NPs) after Pt addition as a cocatalyst, where the synthesized nanofibers showed 2 times higher H2 production rate (1.14 mmol/g-h) than that of the nanoparticles. This synthesis technique provides a good example to produce other inorganic photocatalytic 3D porous structure materials.

A unified bond theory, probabilistic meso-scale modeling, and experimental validation of deformed steel rebar in normal strength concrete

NASA Astrophysics Data System (ADS)

Wu, Chenglin

Bond between deformed rebar and concrete is affected by rebar deformation pattern, concrete properties, concrete confinement, and rebar-concrete interfacial properties. Two distinct groups of bond models were traditionally developed based on the dominant effects of concrete splitting and near-interface shear-off failures. Their accuracy highly depended upon the test data sets selected in analysis and calibration. In this study, a unified bond model is proposed and developed based on an analogy to the indentation problem around the rib front of deformed rebar. This mechanics-based model can take into account the combined effect of concrete splitting and interface shear-off failures, resulting in average bond strengths for all practical scenarios. To understand the fracture process associated with bond failure, a probabilistic meso-scale model of concrete is proposed and its sensitivity to interface and confinement strengths are investigated. Both the mechanical and finite element models are validated with the available test data sets and are superior to existing models in prediction of average bond strength (< 6% error) and crack spacing (< 6% error). The validated bond model is applied to derive various interrelations among concrete crushing, concrete splitting, interfacial behavior, and the rib spacing-to-height ratio of deformed rebar. It can accurately predict the transition of failure modes from concrete splitting to rebar pullout and predict the effect of rebar surface characteristics as the rib spacing-to-height ratio increases. Based on the unified theory, a global bond model is proposed and developed by introducing bond-slip laws, and validated with testing of concrete beams with spliced reinforcement, achieving a load capacity prediction error of less than 26%. The optimal rebar parameters and concrete cover in structural designs can be derived from this study.

Seismic Anisotropy And Upper Mantle Structure In Se Brazil

NASA Astrophysics Data System (ADS)

Heintz, M.; Vauchez, A.; Assumpcao, M.; Egydio-Silva, M.

We present preliminary shear wave splitting measurements performed in south-east Brazil in a quite complex region, from a geological point of view. Seismic anisotropy is the result of a preferred orientation of anisotropic minerals (olivine) in the upper mantle, due to deformation. Splitting parameters Ø (direction of the fastest S wave) are compared to large-scale tectonic structures of the area, in order to infer to which extent the deformations in the upper mantle and in the crust are mechanically coupled. The field of study is a region of 1000 by 1000 km, along the Atlantic coast from São Paulo to 500 km north of Rio de Janeiro. This region is made up of large scale geological units as the southern termination of the São Francisco craton, from archean age, surrounded by two neoproterozoic belts (the Ribeira belt to the east and the Brasilia belt to the west), and the Parana basin, which is a vast flood basalt region. Teleseisms used were acquired by 39 seismological stations well distributed in the region of interest. The results highlight the fact that the orientations of the polarization plane of the fast split shear wave vary a lot in this region, and measurements could be splitted into 5 groups : directions are parallel to the NE-SW trending of the Ribeira belt, some are parallel to the NW-SE trending of the Brasilia belt, in the NE-SW direction of the Transbrasiliano lineament, parallel to the absolute plate maotion (APM) that is EW in this region, or turning around a cylindrical low velocity anomaly imaged in the Parana basin and supposed to be the fossil plume head conduit of the Tristan da Cunha plume head.

Wound Healing from Dermal Grafts Containing CD34+ Cells Is Comparable to Wound Healing with Split-Thickness Skin Micrografts.

PubMed

Nuutila, Kristo; Singh, Mansher; Kruse, Carla; Eriksson, Elof

2017-08-01

Epidermal stem cells present in the skin appendages of the dermis might be crucial in wound healing. In this study, the authors located these cells in the dermis and evaluated their contribution to full-thickness wound healing in a porcine model. Four sequentially deeper 0.35-mm-thick skin grafts were harvested from the same donor site going down to 1.4 mm in depth (layers 1 through 4). The layers were minced to 0.8 × 0.8 × 0.35-mm micrografts and transplanted (1:2) onto full-thickness porcine wounds. Healing was monitored up to 28 days and biopsy specimens were collected on days 6 and 10. Multiple wound healing parameters were used to assess the quality of healing. The authors' results showed that wounds transplanted with layer 2 (0.35 to 0.7 mm) and layer 3 (0.7 to 1.05 mm) micrografts demonstrated reepithelialization rates comparable to that of split-thickness skin graft (layer 1, 0.00 to 0.35 mm; split-thickness skin graft) at day 10. At day 28, dermal micrografts (layers 2 and 3) showed quality of healing comparable to that of split-thickness skin grafts (layer 1) in terms of wound contraction and scar elevation index. The amounts of epidermal stem cells [cluster of differentiation (CD) 34] and basal keratinocytes (KRT14) at each layer were quantified by immunohistochemistry. The analysis showed that layers 2 and 3 contained the most CD34 cells and layer 1 was the richest in KRT14 cells. The immunohistochemistry also indicated that, by day 6, CD34 cells had differentiated into KRT14 cells, which migrated from the grafts and contributed to the reepithelialization of the wound.

Splitting the mind within the individual, nation and economy: reflections on the struggle for integration in post-war Germany.

PubMed

Plänkers, Tomas

2015-02-01

With respect to theorisations of psychical splitting, this paper explores the psychical mechanisms that underlie different forms of social splitting. The paper first outlines Freud's and Kleins different theorisations of the psychical mechanisms of splitting, where the good is split from the bad, the inside split from the outside, and the painful disavowed. I then consider the psychical mechanisms of splitting that underlie ideological supports of certain social systems, specifically that of National Socialist Germany, East Germany during the Cold War period, and neoliberal capitalism. Here, I consider ideological splits between good and evil, the relation between external and internal splits, the relation between geographical, social and internal splitting, as well as splitting as disavowal of the other. Copyright © 2015 Institute of Psychoanalysis.

Towards large volume big divisor D3/D7 " μ-split supersymmetry" and Ricci-flat Swiss-cheese metrics, and dimension-six neutrino mass operators

NASA Astrophysics Data System (ADS)

Dhuria, Mansi; Misra, Aalok

2012-02-01

We show that it is possible to realize a " μ-split SUSY" scenario (Cheng and Cheng, 2005) [1] in the context of large volume limit of type IIB compactifications on Swiss-cheese Calabi-Yau orientifolds in the presence of a mobile space-time filling D3-brane and a (stack of) D7-brane(s) wrapping the "big" divisor. For this, we investigate the possibility of getting one Higgs to be light while other to be heavy in addition to a heavy higgsino mass parameter. Further, we examine the existence of long lived gluino that manifests one of the major consequences of μ-split SUSY scenario, by computing its decay width as well as lifetime corresponding to the three-body decays of the gluino into either a quark, a squark and a neutralino or a quark, squark and goldstino, as well as two-body decays of the gluino into either a neutralino and a gluon or a goldstino and a gluon. Guided by the geometric Kähler potential for Σ obtained in Misra and Shukla (2010) [2] based on GLSM techniques, and the Donaldson's algorithm (Barun et al., 2008) [3] for obtaining numerically a Ricci-flat metric, we give details of our calculation in Misra and Shukla (2011) [4] pertaining to our proposed metric for the full Swiss-cheese Calabi-Yau (the geometric Kähler potential being needed to be included in the full moduli space Kähler potential in the presence of the mobile space-time filling D3-brane), but for simplicity of calculation, close to the big divisor, which is Ricci-flat in the large volume limit. Also, as an application of the one-loop RG flow solution for the higgsino mass parameter, we show that the contribution to the neutrino masses at the EW scale from dimension-six operators arising from the Kähler potential, is suppressed relative to the Weinberg-type dimension-five operators.

A numerical study of adaptive space and time discretisations for Gross–Pitaevskii equations

PubMed Central

Thalhammer, Mechthild; Abhau, Jochen

2012-01-01

As a basic principle, benefits of adaptive discretisations are an improved balance between required accuracy and efficiency as well as an enhancement of the reliability of numerical computations. In this work, the capacity of locally adaptive space and time discretisations for the numerical solution of low-dimensional nonlinear Schrödinger equations is investigated. The considered model equation is related to the time-dependent Gross–Pitaevskii equation arising in the description of Bose–Einstein condensates in dilute gases. The performance of the Fourier-pseudo spectral method constrained to uniform meshes versus the locally adaptive finite element method and of higher-order exponential operator splitting methods with variable time stepsizes is studied. Numerical experiments confirm that a local time stepsize control based on a posteriori local error estimators or embedded splitting pairs, respectively, is effective in different situations with an enhancement either in efficiency or reliability. As expected, adaptive time-splitting schemes combined with fast Fourier transform techniques are favourable regarding accuracy and efficiency when applied to Gross–Pitaevskii equations with a defocusing nonlinearity and a mildly varying regular solution. However, the numerical solution of nonlinear Schrödinger equations in the semi-classical regime becomes a demanding task. Due to the highly oscillatory and nonlinear nature of the problem, the spatial mesh size and the time increments need to be of the size of the decisive parameter 0<ε≪1, especially when it is desired to capture correctly the quantitative behaviour of the wave function itself. The required high resolution in space constricts the feasibility of numerical computations for both, the Fourier pseudo-spectral and the finite element method. Nevertheless, for smaller parameter values locally adaptive time discretisations facilitate to determine the time stepsizes sufficiently small in order that the numerical approximation captures correctly the behaviour of the analytical solution. Further illustrations for Gross–Pitaevskii equations with a focusing nonlinearity or a sharp Gaussian as initial condition, respectively, complement the numerical study. PMID:25550676

A numerical study of adaptive space and time discretisations for Gross-Pitaevskii equations.

PubMed

Thalhammer, Mechthild; Abhau, Jochen

2012-08-15

As a basic principle, benefits of adaptive discretisations are an improved balance between required accuracy and efficiency as well as an enhancement of the reliability of numerical computations. In this work, the capacity of locally adaptive space and time discretisations for the numerical solution of low-dimensional nonlinear Schrödinger equations is investigated. The considered model equation is related to the time-dependent Gross-Pitaevskii equation arising in the description of Bose-Einstein condensates in dilute gases. The performance of the Fourier-pseudo spectral method constrained to uniform meshes versus the locally adaptive finite element method and of higher-order exponential operator splitting methods with variable time stepsizes is studied. Numerical experiments confirm that a local time stepsize control based on a posteriori local error estimators or embedded splitting pairs, respectively, is effective in different situations with an enhancement either in efficiency or reliability. As expected, adaptive time-splitting schemes combined with fast Fourier transform techniques are favourable regarding accuracy and efficiency when applied to Gross-Pitaevskii equations with a defocusing nonlinearity and a mildly varying regular solution. However, the numerical solution of nonlinear Schrödinger equations in the semi-classical regime becomes a demanding task. Due to the highly oscillatory and nonlinear nature of the problem, the spatial mesh size and the time increments need to be of the size of the decisive parameter [Formula: see text], especially when it is desired to capture correctly the quantitative behaviour of the wave function itself. The required high resolution in space constricts the feasibility of numerical computations for both, the Fourier pseudo-spectral and the finite element method. Nevertheless, for smaller parameter values locally adaptive time discretisations facilitate to determine the time stepsizes sufficiently small in order that the numerical approximation captures correctly the behaviour of the analytical solution. Further illustrations for Gross-Pitaevskii equations with a focusing nonlinearity or a sharp Gaussian as initial condition, respectively, complement the numerical study.

Optical phonon modes and polaron related parameters in GaxIn1-xP

NASA Astrophysics Data System (ADS)

Bouarissa, N.; Algarni, H.; Al-Hagan, O. A.; Khan, M. A.; Alhuwaymel, T. F.

2018-02-01

Based on a pseudopotential approach under the virtual crystal approximation that includes the effect of compositional disorder, the optical lattice vibration frequencies and polaron related parameters in zinc-blende GaxIn1-xP have been studied. Our findings showed generally reasonably good accord with data in the literature. Other case, our results are predictions. The composition dependence of longitudinal optical (LO) and transverse optical (TO) phonon modes, LO-TO splittings, Frӧhlich coupling parameter, Debye temperature of LO phonon frequency, and polaron effective mass has been analyzed and discussed. While a non-monotonic behavior has been noticed for the LO and TO phonon frequencies versus Ga concentration x, a monotonic behavior has been observed for the rest of the features of interest. The information derived from this investigation may be useful for optoelectronic technological applications.

Calibration and validation of a general infiltration model

NASA Astrophysics Data System (ADS)

Mishra, Surendra Kumar; Ranjan Kumar, Shashi; Singh, Vijay P.

1999-08-01

A general infiltration model proposed by Singh and Yu (1990) was calibrated and validated using a split sampling approach for 191 sets of infiltration data observed in the states of Minnesota and Georgia in the USA. Of the five model parameters, fc (the final infiltration rate), So (the available storage space) and exponent n were found to be more predictable than the other two parameters: m (exponent) and a (proportionality factor). A critical examination of the general model revealed that it is related to the Soil Conservation Service (1956) curve number (SCS-CN) method and its parameter So is equivalent to the potential maximum retention of the SCS-CN method and is, in turn, found to be a function of soil sorptivity and hydraulic conductivity. The general model was found to describe infiltration rate with time varying curve number.

Fitting the Incidence Data from the City of Campinas, Brazil, Based on Dengue Transmission Modellings Considering Time-Dependent Entomological Parameters

PubMed Central

Yang, Hyun Mo; Boldrini, José Luiz; Fassoni, Artur César; Freitas, Luiz Fernando Souza; Gomez, Miller Ceron; de Lima, Karla Katerine Barboza; Andrade, Valmir Roberto; Freitas, André Ricardo Ribas

2016-01-01

Four time-dependent dengue transmission models are considered in order to fit the incidence data from the City of Campinas, Brazil, recorded from October 1st 1995 to September 30th 2012. The entomological parameters are allowed to depend on temperature and precipitation, while the carrying capacity and the hatching of eggs depend only on precipitation. The whole period of incidence of dengue is split into four periods, due to the fact that the model is formulated considering the circulation of only one serotype. Dengue transmission parameters from human to mosquito and mosquito to human are fitted for each one of the periods. The time varying partial and overall effective reproduction numbers are obtained to explain the incidence of dengue provided by the models. PMID:27010654

Fate of a gray soliton in a quenched Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Gamayun, O.; Bezvershenko, Yu. V.; Cheianov, V.

2015-03-01

We investigate the destiny of a gray soliton in a repulsive one-dimensional Bose-Einstein condensate undergoing a sudden quench of the nonlinearity parameter. The outcome of the quench is found to depend dramatically on the ratio η of the final and initial values of the speed of sound. For integer η the soliton splits into exactly 2 η -1 solitons. For noninteger η the soliton decays into multiple solitons and Bogoliubov modes. The case of integer η is analyzed in detail. The parameters of solitons in the out state are found explicitly. Our approach exploits the inverse scattering method and can be easily used for similar quenches in any classical integrable system.

Automatic Parameterization Strategy for Cardiac Electrophysiology Simulations.

PubMed

Costa, Caroline Mendonca; Hoetzl, Elena; Rocha, Bernardo Martins; Prassl, Anton J; Plank, Gernot

2013-10-01

Driven by recent advances in medical imaging, image segmentation and numerical techniques, computer models of ventricular electrophysiology account for increasingly finer levels of anatomical and biophysical detail. However, considering the large number of model parameters involved parameterization poses a major challenge. A minimum requirement in combined experimental and modeling studies is to achieve good agreement in activation and repolarization sequences between model and experiment or patient data. In this study, we propose basic techniques which aid in determining bidomain parameters to match activation sequences. An iterative parameterization algorithm is implemented which determines appropriate bulk conductivities which yield prescribed velocities. In addition, a method is proposed for splitting the computed bulk conductivities into individual bidomain conductivities by prescribing anisotropy ratios.

S parameter and pseudo Nambu-Goldstone boson mass from lattice QCD.

PubMed

Shintani, E; Aoki, S; Fukaya, H; Hashimoto, S; Kaneko, T; Matsufuru, H; Onogi, T; Yamada, N

2008-12-12

We present a lattice calculation of L10, one of the low-energy constants in chiral perturbation theory, and the charged-neutral pion squared-mass splitting, using dynamical overlap fermion. The exact chiral symmetry of the overlap fermion allows us to reliably extract these quantities from the difference of the vacuum polarization functions for vector and axial-vector currents. In the context of the technicolor models, these two quantities are read as the S parameter and the pseudo Nambu-Goldstone boson mass, respectively, and play an important role in discriminating the models from others. This calculation can serve as a feasibility study of the lattice techniques for more general technicolor gauge theories.

Internal waves in sheared flows: Lower bound of the vorticity growth and propagation discontinuities in the parameter space

NASA Astrophysics Data System (ADS)

Fraternale, Federico; Domenicale, Loris; Staffilani, Gigliola; Tordella, Daniela

2018-06-01

This study provides sufficient conditions for the temporal monotonic decay of enstrophy for two-dimensional perturbations traveling in the incompressible, viscous, plane Poiseuille, and Couette flows. Extension of Synge's procedure [J. L. Synge, Proc. Fifth Int. Congress Appl. Mech. 2, 326 (1938); Semicentenn. Publ. Am. Math. Soc. 2, 227 (1938)] to the initial-value problem allow us to find the region of the wave-number-Reynolds-number map where the enstrophy of any initial disturbance cannot grow. This region is wider than that of the kinetic energy. We also show that the parameter space is split into two regions with clearly distinct propagation and dispersion properties.

Ion and electron temperatures in the SUMMA mirror device by emission spectroscopy

NASA Technical Reports Server (NTRS)

Patch, R. W.; Voss, D. E.; Reinmann, J. J.; Snyder, A.

1974-01-01

Ion and electron temperatures, and ion drift were measured in a superconducting magnetic mirror apparatus by observing the Doppler-broadened charge-exchange component of the 667.8 and 587.6 nanometer He lines in He plasma, and the H sub alpha and H sub beta lines in H2 plasma. The second moment of the line profiles was used as the parameter for determining ion temperature. Corrections for magnetic splitting, fine structure, monochromator slit function, and variation in charge-exchange cross section with energy are included. Electron temperatures were measured by the line ratio method for the corona model, and correlations of ion and electron temperatures with plasma parameters are presented.

StackSplit - a plugin for multi-event shear wave splitting analyses in SplitLab

NASA Astrophysics Data System (ADS)

Grund, Michael

2017-04-01

The SplitLab package (Wüstefeld et al., Computers and Geosciences, 2008), written in MATLAB, is a powerful and widely used tool for analysing seismological shear wave splitting of single event measurements. However, in many cases, especially temporary station deployments close to seaside or for recordings affected by strong anthropogenic noise, only multi-event approaches provide stable and reliable splitting results. In order to extend the original SplitLab environment for such analyses, I present the StackSplit plugin that can easily be implemented within the well accepted main program. StackSplit grants easy access to several different analysis approaches within SplitLab, including a new multiple waveform based inversion method as well as the most established standard stacking procedures. The possibility to switch between different analysis approaches at any time allows the user for the most flexible processing of individual multi-event splitting measurements for a single recording station. Besides the provided functions of the plugin, no other external program is needed for the multi-event analyses since StackSplit performs within the available SplitLab structure.

Splitting of IVP bovine blastocyst affects morphology and gene expression of resulting demi-embryos during in vitro culture and in vivo elongation.

PubMed

Velasquez, Alejandra E; Castro, Fidel O; Veraguas, Daniel; Cox, Jose F; Lara, Evelyn; Briones, Mario; Rodriguez-Alvarez, Lleretny

2016-02-01

Embryo splitting might be used to increase offspring yield and for molecular analysis of embryo competence. How splitting affects developmental potential of embryos is unknown. This research aimed to study the effect of bovine blastocyst splitting on morphological and gene expression homogeneity of demi-embryos and on embryo competence during elongation. Grade I bovine blastocyst produced in vitro were split into halves and distributed in nine groups (3 × 3 setting according to age and stage before splitting; age: days 7-9; stage: early, expanded and hatched blastocysts). Homogeneity and survival rate in vitro after splitting (12 h, days 10 and 13) and the effect of splitting on embryo development at elongation after embryo transfer (day 17) were assessed morphologically and by RT-qPCR. The genes analysed were OCT4, SOX2, NANOG, CDX2, TP1, TKDP1, EOMES, and BAX. Approximately 90% of split embryos had a well conserved defined inner cell mass (ICM), 70% of the halves had similar size with no differences in gene expression 12 h after splitting. Split embryos cultured further conserved normal and comparable morphology at day 10 of development; this situation changes at day 13 when embryo morphology and gene expression differed markedly among demi-embryos. Split and non-split blastocysts were transferred to recipient cows and were recovered at day 17. Fifty per cent of non-split embryos were larger than 100 mm (33% for split embryos). OCT4, SOX2, TP1 and EOMES levels were down-regulated in elongated embryos derived from split blastocysts. In conclusion, splitting day-8 blastocysts yields homogenous demi-embryos in terms of developmental capability and gene expression, but the initiation of the filamentous stage seems to be affected by the splitting.

Additional boundary conditions and surface exciton dispersion relations

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

Rimbey, P.R.

1977-01-15

The surface-exciton dispersion curves in ZnO are derived from the surface impedances developed by Fuchs and Kliewer (FK) and Rimbey and Mahan (RM) including retardation. There exists a distinctive splitting between the two dispersions, the FK additional boundary conditions having longitudinal character, the RM additional boundary conditions being transverse. Surface-mode attenuation due to spatial dispersion is more pronouced in the RM formalism, although inclusion of a phenomenological damping parameter does not alter either dispersion curve. (AIP)

Spin structure of electron subbands in (110)-grown quantum wells

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

Nestoklon, M. O.; Tarasenko, S. A.; Jancu, J.-M.

We present the theory of fine structure of electron states in symmetric and asymmetric zinc-blende-type quantum wells with the (110) crystallographic orientation. By combining the symmetry analysis, sp{sup 3}d{sup 5}s* tight-binding method, and envelope-function approach we obtain quantitative description of in-plane wave vector, well width and applied electric field dependencies of the zero-magnetic-field spin splitting of electron subbands and extract spin-orbit-coupling parameters.

Galerkin Spectral Method for the 2D Solitary Waves of Boussinesq Paradigm Equation

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

Christou, M. A.; Christov, C. I.

2009-10-29

We consider the 2D stationary propagating solitary waves of the so-called Boussinesq Paradigm equation. The fourth- order elliptic boundary value problem on infinite interval is solved by a Galerkin spectral method. An iterative procedure based on artificial time ('false transients') and operator splitting is used. Results are obtained for the shapes of the solitary waves for different values of the dispersion parameters for both subcritical and supercritical phase speeds.

Algebraic techniques for diagonalization of a split quaternion matrix in split quaternionic mechanics

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

Jiang, Tongsong, E-mail: jiangtongsong@sina.com; Department of Mathematics, Heze University, Heze, Shandong 274015; Jiang, Ziwu

In the study of the relation between complexified classical and non-Hermitian quantum mechanics, physicists found that there are links to quaternionic and split quaternionic mechanics, and this leads to the possibility of employing algebraic techniques of split quaternions to tackle some problems in complexified classical and quantum mechanics. This paper, by means of real representation of a split quaternion matrix, studies the problem of diagonalization of a split quaternion matrix and gives algebraic techniques for diagonalization of split quaternion matrices in split quaternionic mechanics.

Geometric effects on mixing performance in a novel passive micromixer with trapezoidal-zigzag channels

NASA Astrophysics Data System (ADS)

Le The, Hai; Ta, Bao Quoc; Le Thanh, Hoa; Dong, Tao; Nguyen Thoi, Trung; Karlsen, Frank

2015-09-01

A novel passive micromixer, called a trapezoidal-zigzag micromixer (TZM), is reported. A TZM is composed of trapezoidal channels in a zigzag and split-recombine arrangement that enables multiple mixing mechanisms, including splitting-recombining, twisting, transversal flows, vortices, and chaotic advection. The effects of geometric parameters of the TZM on mixing performance are systematically investigated by the Taguchi method and numerical simulations in COMSOL Multiphysics. The number of mixing units, the slope angle of the trapezoidal channel, the height of the constriction element, and the width ratio between the middle-trapezoidal channel and the side-trapezoidal channel are the four parameters under study. The mixing performance of the TZM is investigated at three different Reynolds number (Re) values of 0.5, 5, and 50. The results showed that a TZM with six mixing units, a trapezoidal slope angle of 75°, a constricting height of 100 µm, and a width ratio of 0.5 has the highest mixing efficiency. This optimal TZM has a mixing efficiency greater than 85% for Re values from 0.1 to 80. In particular, for Re  ⩽  0.9 and Re  ⩾  20, the mixing efficiency of the optimal TZM is greater than 90%. The proposed TZM has a higher mixing efficiency and a smaller footprint than previously reported micromixers.

Improved silica-PLC Mach-Zehnder interferometer type optical switches with error dependence compensation of directional coupler

NASA Astrophysics Data System (ADS)

Wang, Jun; Yi, Jia; Guo, Lijun; Liu, Peng; Hall, Trevor J.; Sun, DeGui

2017-03-01

For the most popular structure of planer lightwave circuit (PLC) 2×2 thermo-optic switches, Mach-Zehnder interferometer (MZI), a full range of splitting ratio errors of directional coupler (DC) are investigated. All the parameters determining the splitting ratio are the dimensions and the refractive indices of the waveguide core and cladding layers. In this work, the coherent relationships between the waveguide size and the refractive indices are analyzed and then the error compensation between the width and the refractive index of waveguide core, and the controllable effect of over clad layer refractive index error upon the MZI-type optical switch are all discovered with numerical calculation and BPM simulations. Then, an MZI-type 2×2 thermo-optic switch having a higher error tolerance is established with the efficient optimizations of all the 3 dB-DC parameters. As a result, for the symmetric MZI switch, an insertion loss of 1.5 dB and optical extinction ratio of over 20 dB are realized for the average tolerance of±5.0%. An asymmetric arm optical phase and unequal arm lengths is also employed to improve the uniformities of insertion loss. The agreements between the designs and the experiments are recognized, leading to a wide adoption of practical silica-PLC optical switch products.

Understanding the Control of Singlet-Triplet Splitting for Organic Exciton Manipulating: A Combined Theoretical and Experimental Approach

PubMed Central

Chen, Ting; Zheng, Lei; Yuan, Jie; An, Zhongfu; Chen, Runfeng; Tao, Ye; Li, Huanhuan; Xie, Xiaoji; Huang, Wei

2015-01-01

Developing organic optoelectronic materials with desired photophysical properties has always been at the forefront of organic electronics. The variation of singlet-triplet splitting (ΔEST) can provide useful means in modulating organic excitons for diversified photophysical phenomena, but controlling ΔEST in a desired manner within a large tuning scope remains a daunting challenge. Here, we demonstrate a convenient and quantitative approach to relate ΔEST to the frontier orbital overlap and separation distance via a set of newly developed parameters using natural transition orbital analysis to consider whole pictures of electron transitions for both the lowest singlet (S1) and triplet (T1) excited states. These critical parameters revealed that both separated S1 and T1 states leads to ultralow ΔEST; separated S1 and overlapped T1 states results in small ΔEST; and both overlapped S1 and T1 states induces large ΔEST. Importantly, we realized a widely-tuned ΔEST in a range from ultralow (0.0003 eV) to extra-large (1.47 eV) via a subtle symmetric control of triazine molecules, based on time-dependent density functional theory calculations combined with experimental explorations. These findings provide keen insights into ΔEST control for feasible excited state tuning, offering valuable guidelines for the construction of molecules with desired optoelectronic properties. PMID:26161684

Intramolecular and Lattice Dynamics in V6-nIVVnV O7(OCH3)12 Crystal

NASA Astrophysics Data System (ADS)

Yablokov, Yu. V.; Augustyniak-Jabłokow, M. A.; Borshch, S.; Daniel, C.; Hartl, H.

2006-08-01

Multi-nuclear mixed-valence clusters V4IVV2VO7(OCH3)12 were studied by X-band EPR in the temperature range 4.2-300 K. An isotropic exchange interactions between four VIV ions with individual spin Si=1/2 determine the energy levels structure of the compound with the total spin states S=0, 1, and 2, which are doubled and split due to the extra electron transfer. The spin-Hamiltonian approach was used for the analysis of the temperature dependences of the EPR spectra parameters and the cluster dynamics. Two types of the electron transfer are assumed: the single jump transfer leading to the splitting of the total spin states by intervals comparable in magnitude with the exchange parameter J≈100-150cm-1 and the double jump one resulting in dynamics. The dependence of the transition ratesνtr on the energy of the total spin states was observed. In particular, in the range 300-220 K the νtr ≈0.7×1010 cm-1 and below 180 K the νtr≈1×1010 cm-1 was estimated. The g-factors of the spin states were shown to depend on the values of the intermediate spins. A phase transition in the T-range 210-180 K leading to the change in the initial VIV ions localization was discovered.

Shear wave anisotropy from aligned inclusions: ultrasonic frequency dependence of velocity and attenuation

NASA Astrophysics Data System (ADS)

de Figueiredo, J. J. S.; Schleicher, J.; Stewart, R. R.; Dayur, N.; Omoboya, B.; Wiley, R.; William, A.

2013-04-01

To understand their influence on elastic wave propagation, anisotropic cracked media have been widely investigated in many theoretical and experimental studies. In this work, we report on laboratory ultrasound measurements carried out to investigate the effect of source frequency on the elastic parameters (wave velocities and the Thomsen parameter γ) and shear wave attenuation) of fractured anisotropic media. Under controlled conditions, we prepared anisotropic model samples containing penny-shaped rubber inclusions in a solid epoxy resin matrix with crack densities ranging from 0 to 6.2 per cent. Two of the three cracked samples have 10 layers and one has 17 layers. The number of uniform rubber inclusions per layer ranges from 0 to 100. S-wave splitting measurements have shown that scattering effects are more prominent in samples where the seismic wavelength to crack aperture ratio ranges from 1.6 to 1.64 than in others where the ratio varied from 2.72 to 2.85. The sample with the largest cracks showed a magnitude of scattering attenuation three times higher compared with another sample that had small inclusions. Our S-wave ultrasound results demonstrate that elastic scattering, scattering and anelastic attenuation, velocity dispersion and crack size interfere directly in shear wave splitting in a source-frequency dependent manner, resulting in an increase of scattering attenuation and a reduction of shear wave anisotropy with increasing frequency.

Improved continuum lowering calculations in screened hydrogenic model with l-splitting for high energy density systems

NASA Astrophysics Data System (ADS)

Ali, Amjad; Shabbir Naz, G.; Saleem Shahzad, M.; Kouser, R.; Aman-ur-Rehman; Nasim, M. H.

2018-03-01

The energy states of the bound electrons in high energy density systems (HEDS) are significantly affected due to the electric field of the neighboring ions. Due to this effect bound electrons require less energy to get themselves free and move into the continuum. This phenomenon of reduction in potential is termed as ionization potential depression (IPD) or the continuum lowering (CL). The foremost parameter to depict this change is the average charge state, therefore accurate modeling for CL is imperative in modeling atomic data for computation of radiative and thermodynamic properties of HEDS. In this paper, we present an improved model of CL in the screened hydrogenic model with l-splitting (SHML) proposed by G. Faussurier and C. Blancard, P. Renaudin [High Energy Density Physics 4 (2008) 114] and its effect on average charge state. We propose the level charge dependent calculation of CL potential energy and inclusion of exchange and correlation energy in SHML. By doing this, we made our model more relevant to HEDS and free from CL empirical parameter to the plasma environment. We have implemented both original and modified model of SHML in our code named OPASH and benchmark our results with experiments and other state-of-the-art simulation codes. We compared our results of average charge state for Carbon, Beryllium, Aluminum, Iron and Germanium against published literature and found a very reasonable agreement between them.

Spin splitting in band structures of BiTeX (X=Cl, Br, I) monolayers

NASA Astrophysics Data System (ADS)

Hvazdouski, D. C.; Baranava, M. S.; Stempitsky, V. R.

2018-04-01

In systems with breaking of inversion symmetry a perpendicular electric field arises that interacts with the conduction electrons. It may give rise to electron state splitting even without influence of external magnetic field due to the spin-orbital interaction (SOI). Such a removal of the spin degeneracy is called the Rashba effect. Nanostructure with the Rashba effect can be part of a spin transistor. Spin degeneracy can be realized in a channel from a material of this type without additive of magnetic ions. Lack of additive increases the charge carrier mobility and reliability of the device. Ab initio simulations of BiTeX (X=Cl, Br, I) monolayers have been carried out using VASP wherein implemented DFT method. The study of this structures is of interest because such sort of structures can be used their as spin-orbitronics materials. The crystal parameters of BiTeCl, BiTeBr, BiTeI have been determined by the ionic relaxation and static calculations. It is necessary to note that splitting of energy bands occurs in case of SOI included. The values of the Rashba coefficient aR (in the range from 6.25 to 10.00 eV·Å) have high magnitudes for spintronics materials. Band structure of monolayers structures have ideal Rashba electron gas, i.e. there no other energy states near to Fermi level except Rashba states.

Localization enhanced and degraded topological order in interacting p -wave wires

NASA Astrophysics Data System (ADS)

Kells, G.; Moran, N.; Meidan, D.

2018-02-01

We numerically study the effect of disorder on the stability of the many-body zero mode in a Kitaev chain with local interactions. Our numerical procedure allows us to resolve the position space and multiparticle structure of the zero modes, as well as providing estimates for the mean energy splitting between pairs of states of opposite fermion parity, over the full many-body spectrum. We find that the parameter space of a clean system can be divided into regions where interaction induced decay transitions are suppressed (region I) and where they are not (region II). In region I we observe that disorder has an adverse effect on the zero mode, which extends further into the bulk and is accompanied by an increased energy splitting between pairs of states of opposite parity. Conversely region II sees a more intricate effect of disorder, showing an enhancement of localization at the system's end accompanied by a reduction in the mean pairwise energy splitting. We discuss our results in the context of the many-body localization (MBL). We show that while the mechanism that drives the MBL transition also contributes to the fock-space localization of the many-body zero modes, measures that characterize the degree of MBL do not necessarily correlate with an enhancement of the zero mode or an improved stability of the topological region.

A rational approach towards enhancing solar water splitting: a case study of Au-RGO/N-RGO-TiO2.

PubMed

Bharad, Pradnya A; Sivaranjani, Kumarsrinivasan; Gopinath, Chinnakonda S

2015-07-07

A rational approach was employed to enhance the solar water splitting (SWS) efficiency by systematically combining various important factors that helps to increase the photocatalytic activity. The rational approach includes four important parameters, namely, charge generation through simulated sunlight absorption, charge separation and diffusion, charge utilization through redox reaction, and the electronic integration of all of the above three factors. The complexity of the TiO2 based catalyst and its SWS activity was increased systematically by adding reduced graphene oxide (RGO) or N-doped RGO and/or nanogold. Au-N-RGO-TiO2 shows the maximum apparent quantum yield (AQY) of 2.46% with a H2 yield (525 μmol g(-1) h(-1)) from aqueous methanol, and overall water splitting activity (22 μmol g(-1) h(-1); AQY = 0.1%) without any sacrificial agent under one sun conditions. This exercise helps to understand the factors which help to enhance the SWS activity. Activity enhancement was observed when there is synergy among the components, especially the simulated sunlight absorption (or one sun conditions), charge separation/conduction and charge utilization. Electronic integration among the components provides the synergy for efficient solar light harvesting. In our opinion, the above synergy helps to increase the overall utilization of charge carriers towards the higher activity.

New spherical optical cavities with non-degenerated whispering gallery modes

NASA Astrophysics Data System (ADS)

Kumagai, Tsutaru; Palma, Giuseppe; Prudenzano, Francesco; Kishi, Tetsuo; Yano, Tetsuji

2017-02-01

New spherical resonators with internal defects are introduced to show anomalous whispering gallery modes (WGMs). The defect induces a symmetry breaking spherical cavity and splits the WGMs. A couple of defects, a hollow sphere (bubble), and a hollow ring, have been studied. The hollow sphere was fabricated and the splitting of WGM was observed. In this paper, this "non-degenerated WGMs (non-DWGMs) resonance" in a microsphere with hollow defect structure is reviewed based on our research. The resonance of WGMs in a sphere is identified by three integer parameters: the angular mode number, l, azimuthal mode number m, and radial mode number, n. The placement of the defect such as a hollow ring or single bubble is shown to break symmetry and resolve the degeneracy concerning m. This induces a variety of resonant wavelengths of the spherical cavity. A couple of simulations using the eigenmode and transient analyses propose how the placed defects affect the WGM resonance in the spherical cavity. For the sphere with a single bubble defect, the experimentally observed resonances in Nd-doped tellurite glass microsphere with a single bubble are clarified to be due to the splitting of resonance modes, i.e., the existence of "non-DWGMs" in the sphere. The defect bubble plays a role of opening the optically wide gate to introduce excitation light for Nd3+ pumping using non-DWGMs in the sphere efficiently.

Quantum correlations and violation of the Bell inequality induced by an external field in a two-photon radiative cascade

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

Yuan Luqi; Das, Sumanta

2011-06-15

We study the polarization-dependent second-order correlation of a pair of photons emitted in a four-level radiative cascade driven by an external field. It is found that the quantum correlations of the emitted photons, degraded by the energy splitting of the intermediate levels in the radiative cascade, can be efficiently revived by a far-detuned external field. The physics of this revival is linked to an induced Stark shift and the formation of dressed states in the system by the nonresonant external field. Furthermore, we investigated the competition between the effect of the coherent external field and incoherent dephasing of the intermediatemore » levels. We find that the degradation of quantum correlations due to the incoherent dephasing can be contained for small dephasing with the external field. We also studied the nonlocality of the correlations by evaluating the Bell inequality in the linear polarization basis for the radiative cascade. We find that the Bell parameter decreases rapidly with increase in the intermediate-level energy splitting or incoherent dephasing rate to the extent that there is no violation. However, the presence of an external field leads to control over the degrading mechanisms and preservation of nonlocal correlation among the photons. This in turn can induce a violation of Bell's inequality in the radiative cascade for arbitrary intermediate-level splitting and small incoherent dephasing.« less

Influence of the large-small split effect on strategy choice in complex subtraction.

PubMed

Xiang, Yan Hui; Wu, Hao; Shang, Rui Hong; Chao, Xiaomei; Ren, Ting Ting; Zheng, Li Ling; Mo, Lei

2018-04-01

Two main theories have been used to explain the arithmetic split effect: decision-making process theory and strategy choice theory. Using the inequality paradigm, previous studies have confirmed that individuals tend to adopt a plausibility-checking strategy and a whole-calculation strategy to solve large and small split problems in complex addition arithmetic, respectively. This supports strategy choice theory, but it is unknown whether this theory also explains performance in solving different split problems in complex subtraction arithmetic. This study used small, intermediate and large split sizes, with each split condition being further divided into problems requiring and not requiring borrowing. The reaction times (RTs) for large and intermediate splits were significantly shorter than those for small splits, while accuracy was significantly higher for large and middle splits than for small splits, reflecting no speed-accuracy trade-off. Further, RTs and accuracy differed significantly between the borrow and no-borrow conditions only for small splits. This study indicates that strategy choice theory is suitable to explain the split effect in complex subtraction arithmetic. That is, individuals tend to choose the plausibility-checking strategy or the whole-calculation strategy according to the split size. © 2016 International Union of Psychological Science.

StackSplit - a plugin for multi-event shear wave splitting analyses in SplitLab

NASA Astrophysics Data System (ADS)

Grund, Michael

2017-08-01

SplitLab is a powerful and widely used tool for analysing seismological shear wave splitting of single event measurements. However, in many cases, especially temporary station deployments close to the noisy seaside, ocean bottom or for recordings affected by strong anthropogenic noise, only multi-event approaches provide stable and reliable splitting results. In order to extend the original SplitLab environment for such analyses, I present the StackSplit plugin that can easily be implemented within the well accepted main program. StackSplit grants easy access to several different analysis approaches within SplitLab, including a new multiple waveform based inversion method as well as the most established standard stacking procedures. The possibility to switch between different analysis approaches at any time allows the user for the most flexible processing of individual multi-event splitting measurements for a single recording station. Besides the provided functions of the plugin, no other external program is needed for the multi-event analyses since StackSplit performs within the available SplitLab structure which is based on MATLAB. The effectiveness and use of this plugin is demonstrated with data examples of a long running seismological recording station in Finland.

More about solar g modes

NASA Astrophysics Data System (ADS)

Fossat, E.; Schmider, F. X.

2018-04-01

Context. The detection of asymptotic solar g-mode parameters was the main goal of the GOLF instrument onboard the SOHO space observatory. This detection has recently been reported and has identified a rapid mean rotation of the solar core, with a one-week period, nearly four times faster than all the rest of the solar body, from the surface to the bottom of the radiative zone. Aim. We present here the detection of more g modes of higher degree, and a more precise estimation of all their parameters, which will have to be exploited as additional constraints in modeling the solar core. Methods: Having identified the period equidistance and the splitting of a large number of asymptotic g modes of degrees 1 and 2, we test a model of frequencies of these modes by a cross-correlation with the power spectrum from which they have been detected. It shows a high correlation peak at lag zero, showing that the model is hidden but present in the real spectrum. The model parameters can then be adjusted to optimize the position (at exactly zero lag) and the height of this correlation peak. The same method is then extended to the search for modes of degrees 3 and 4, which were not detected in the previous analysis. Results: g-mode parameters are optimally measured in similar-frequency bandwidths, ranging from 7 to 8 μHz at one end and all close to 30 μHz at the other end, for the degrees 1 to 4. They include the four asymptotic period equidistances, the slight departure from equidistance of the detected periods for l = 1 and l = 2, the measured amplitudes, functions of the degree and the tesseral order, and the splittings that will possibly constrain the estimated sharpness of the transition between the one-week mean rotation of the core and the almost four-week rotation of the radiative envelope. The g-mode periods themselves are crucial inputs in the solar core structure helioseismic investigation.

The Formation of Laurentia: Evidence from Shear Wave Splitting and Seismic Tomography

NASA Astrophysics Data System (ADS)

Liddell, M. V.; Bastow, I. D.; Rawlinson, N.; Darbyshire, F. A.; Gilligan, A.

2017-12-01

The northern Hudson Bay region of Canada comprises several Archean cratonic nuclei, assembled by Paleoproterozoic orogenies including the 1.8 Ga Trans-Hudson Orogen (THO) and Rinkian-Nagssugtoqidian Orogen (NO). Questions remain about how similar in scale and nature these orogens were compared to modern orogens like the Himalayas. Also in question is whether the thick Laurentian cratonic root below Hudson Bay is stratified, with a seismically-fast Archean core underlain by a lower, younger, thermal layer. We investigate these problems via shear-wave splitting and teleseismic tomography using up to 25 years of data from 65 broadband seismic stations across northern Hudson Bay. The results of the complementary studies comprise the most comprehensive study to date of mantle seismic velocity and anisotropy in northern Laurentia. Splitting parameter patterns are used to interpret multiple layers, lithospheric boundaries, dipping anisotropy, and deformation zone limits for the THO and NO. Source-side waveguide effects from Japan and the Aleutian trench are observed despite the tomographic data being exclusively relative arrival time. Mitigating steps to ensure data quality are explained and enforced. In the Hudson Strait, anisotropic fast directions (φ) generally parallel the THO, which appears in tomographic images as a strong low velocity feature relative to the neighbouring Archean cratons. Several islands in northern Hudson Bay show short length-scale changes in φ coincident with strong velocity contrasts. These are interpreted as distinct lithospheric blocks with unique deformational histories, and point to a complex, rather than simple 2-plate, collisional history for the THO. Strong evidence is presented for multiple anisotropic layers beneath Archean zones, consistent with the episodic development model of cratonic keels (e.g., Yuan & Romanowicz 2010). We show via both tomographic inversion models and SKS splitting patterns that southern Baffin Island was underthrust by the Superior plate; slow wavespeed material underlies this region, and modelling of SKS splitting patterns indicates a dipping anisotropic layer. This aligns our most up-to-date geophysical results with recent geological evidence (Weller et al., 2017) that the THO developed with modern plate-tectonic style interactions.

Are Comets 42P/Neujmin 3 and 53P/Van Biesbroeck Parts of one Comet?

NASA Astrophysics Data System (ADS)

Pittichova, J.; Meech, K. J.; Valsecchi, G. B.; Pittich, E. M.

2003-05-01

We want to present preliminary results of the observations of the physical parameters of comets 42P/Neujmin 3 and 53P/Van Biesbroeck: brightness, nucleus activity, rotation period, light-curve and color changes from our first three optical observing runs (March, and May 2003) at Mauna Kea, using UH 2.2m telescope and Tek2048 CCD camera. Comets 42P/Neujmin 3 and 53P/Van Biesbroeck have very well determined orbits, and their orbital histories are very interesting. Their current orbits are not very similar to each other; however, numerical integrations have shown that both comets had a rather close approach to Jupiter in January 1850, and that, before 1850, the two orbits were nearly identical. Given the extremely low probability of a chance coincidence of the six orbital elements at a given time, the natural conclusion is that the two objects are fragments of a single comet that split sometime in the late 1849 or early 1850. Among the known cases of split periodic comets, this one is peculiar for a number of reasons: 1. the splitting was probably not due to tidal stresses, since the 1850 encounter with Jupiter took place well outside the Roche lobe; 2. it is the only case discovered through a dynamical study; 3. in the only other case of splitting of a Jupiter family comet, that of 3D/Biela, the fragments did not survive for more than a couple of revolutions, whereas in the present case both fragments have passed perihelion more than ten times since the splitting. If these two comets are fragments of a single parent body, then they should show a certain degree of physical and chemical similarity, which we would like to obtain from spectroscopic observation in 2004, when both comets are close to their perihelion. Acknowledgments: Support for this work was provided by NASA Grant No. NAG5-12236 and Scientific Grant Agency VEGA of the Slovak Academy of Sciences, grant No. 2/1005/21.

[Individual social factors and their association with environmental socioeconomic factors--a descriptive small-area analysis in the city of Dortmund].

PubMed

Neuner, B; Berger, K

2010-11-01

Apart from individual resources and individual risk factors, environmental socioeconomic factors are determinants of individual health and illness. The aim of this investigation was to evaluate the association of small-area environmental socioeconomic parameters (proportion of 14-year-old and younger population, proportion of married citizens, proportion of unemployed, and the number of private cars per inhabitant) with individual socioeconomic parameters (education, income, unemployment, social class and the country of origin) in Dortmund, a major city in Germany. After splitting the small-area environmental socioeconomic parameters of 62 statistical administration units into quintiles, differences in the distribution of individual social parameters were evaluated using adjusted tests for trend. Overall, 1,312 study participants (mean age 53.6 years, 52.9% women) were included. Independently of age and gender, individual social parameters were unequally distributed across areas with different small-area environmental socioeconomic parameters. A place of birth abroad and social class were significantly associated with all small-area environmental socioeconomic parameters. If the impact of environmental socioeconomic parameters on individual health or illness is determined, the unequal small-area distribution of individual social parameters should be considered. © Georg Thieme Verlag KG Stuttgart · New York.

Changes in the midpalatal and pterygopalatine sutures induced by micro-implant-supported skeletal expander, analyzed with a novel 3D method based on CBCT imaging.

PubMed

Cantarella, Daniele; Dominguez-Mompell, Ramon; Mallya, Sanjay M; Moschik, Christoph; Pan, Hsin Chuan; Miller, Joseph; Moon, Won

2017-11-01

Mini-implant-assisted rapid palatal expansion (MARPE) appliances have been developed with the aim to enhance the orthopedic effect induced by rapid maxillary expansion (RME). Maxillary Skeletal Expander (MSE) is a particular type of MARPE appliance characterized by the presence of four mini-implants positioned in the posterior part of the palate with bi-cortical engagement. The aim of the present study is to evaluate the MSE effects on the midpalatal and pterygopalatine sutures in late adolescents, using high-resolution CBCT. Specific aims are to define the magnitude and sagittal parallelism of midpalatal suture opening, to measure the extent of transverse asymmetry of split, and to illustrate the possibility of splitting the pterygopalatine suture. Fifteen subjects (mean age of 17.2 years; range, 13.9-26.2 years) were treated with MSE. Pre- and post-treatment CBCT exams were taken and superimposed. A novel methodology based on three new reference planes was utilized to analyze the sutural changes. Parameters were compared from pre- to post-treatment and between genders non-parametrically using the Wilcoxon sign rank test. For the frequency of openings in the lower part of the pterygopalatine suture, the Fisher's exact test was used. Regarding the magnitude of midpalatal suture opening, the split at anterior nasal spine (ANS) and at posterior nasal spine (PNS) was 4.8 and 4.3 mm, respectively. The amount of split at PNS was 90% of that at ANS, showing that the opening of the midpalatal suture was almost perfectly parallel antero-posteriorly. On average, one half of the anterior nasal spine (ANS) moved more than the contralateral one by 1.1 mm. Openings between the lateral and medial plates of the pterygoid process were detectable in 53% of the sutures (P < 0.05). No significant differences were found in the magnitude and frequency of suture opening between males and females. Correlation between age and suture opening was negligible (R 2 range, 0.3-4.2%). Midpalatal suture was successfully split by MSE in late adolescents, and the opening was almost perfectly parallel in a sagittal direction. Regarding the extent of transverse asymmetry of the split, on average one half of ANS moved more than the contralateral one by 1.1 mm. Pterygopalatine suture was split in its lower region by MSE, as the pyramidal process was pulled out from the pterygoid process. Patient gender and age had a negligible influence on suture opening for the age group considered in the study.

Precise Measurement of the Neutrino Mixing Parameter θ23 from Muon Neutrino Disappearance in an Off-Axis Beam

NASA Astrophysics Data System (ADS)

Abe, K.; Adam, J.; Aihara, H.; Akiri, T.; Andreopoulos, C.; Aoki, S.; Ariga, A.; Ariga, T.; Assylbekov, S.; Autiero, D.; Barbi, M.; Barker, G. J.; Barr, G.; Bass, M.; Batkiewicz, M.; Bay, F.; Bentham, S. W.; Berardi, V.; Berger, B. E.; Berkman, S.; Bertram, I.; Bhadra, S.; Blaszczyk, F. d. M.; Blondel, A.; Bojechko, C.; Bordoni, S.; Boyd, S. B.; Brailsford, D.; Bravar, A.; Bronner, C.; Buchanan, N.; Calland, R. G.; Caravaca Rodríguez, J.; Cartwright, S. L.; Castillo, R.; Catanesi, M. G.; Cervera, A.; Cherdack, D.; Christodoulou, G.; Clifton, A.; Coleman, J.; Coleman, S. J.; Collazuol, G.; Connolly, K.; Cremonesi, L.; Dabrowska, A.; Danko, I.; Das, R.; Davis, S.; de Perio, P.; De Rosa, G.; Dealtry, T.; Dennis, S. R.; Densham, C.; Di Lodovico, F.; Di Luise, S.; Drapier, O.; Duboyski, T.; Duffy, K.; Dufour, F.; Dumarchez, J.; Dytman, S.; Dziewiecki, M.; Emery, S.; Ereditato, A.; Escudero, L.; Finch, A. J.; Floetotto, L.; Friend, M.; Fujii, Y.; Fukuda, Y.; Furmanski, A. P.; Galymov, V.; Giffin, S.; Giganti, C.; Gilje, K.; Goeldi, D.; Golan, T.; Gonin, M.; Grant, N.; Gudin, D.; Hadley, D. R.; Haesler, A.; Haigh, M. D.; Hamilton, P.; Hansen, D.; Hara, T.; Hartz, M.; Hasegawa, T.; Hastings, N. C.; Hayato, Y.; Hearty, C.; Helmer, R. L.; Hierholzer, M.; Hignight, J.; Hillairet, A.; Himmel, A.; Hiraki, T.; Hirota, S.; Holeczek, J.; Horikawa, S.; Huang, K.; Ichikawa, A. K.; Ieki, K.; Ieva, M.; Ikeda, M.; Imber, J.; Insler, J.; Irvine, T. J.; Ishida, T.; Ishii, T.; Ives, S. J.; Iwai, E.; Iyogi, K.; Izmaylov, A.; Jacob, A.; Jamieson, B.; Johnson, R. A.; Jo, J. H.; Jonsson, P.; Jung, C. K.; Kabirnezhad, M.; Kaboth, A. C.; Kajita, T.; Kakuno, H.; Kameda, J.; Kanazawa, Y.; Karlen, D.; Karpikov, I.; Kearns, E.; Khabibullin, M.; Khotjantsev, A.; Kielczewska, D.; Kikawa, T.; Kilinski, A.; Kim, J.; Kisiel, J.; Kitching, P.; Kobayashi, T.; Koch, L.; Kolaceke, A.; Konaka, A.; Kormos, L. L.; Korzenev, A.; Koseki, K.; Koshio, Y.; Kreslo, I.; Kropp, W.; Kubo, H.; Kudenko, Y.; Kumaratunga, S.; Kurjata, R.; Kutter, T.; Lagoda, J.; Laihem, K.; Lamont, I.; Laveder, M.; Lawe, M.; Lazos, M.; Lee, K. P.; Lindner, T.; Lister, C.; Litchfield, R. P.; Longhin, A.; Ludovici, L.; Macaire, M.; Magaletti, L.; Mahn, K.; Malek, M.; Manly, S.; Marino, A. D.; Marteau, J.; Martin, J. F.; Maruyama, T.; Marzec, J.; Mathie, E. L.; Matveev, V.; Mavrokoridis, K.; Mazzucato, E.; McCarthy, M.; McCauley, N.; McFarland, K. S.; McGrew, C.; Metelko, C.; Mezzetto, M.; Mijakowski, P.; Miller, C. A.; Minamino, A.; Mineev, O.; Mine, S.; Missert, A.; Miura, M.; Monfregola, L.; Moriyama, S.; Mueller, Th. A.; Murakami, A.; Murdoch, M.; Murphy, S.; Myslik, J.; Nagasaki, T.; Nakadaira, T.; Nakahata, M.; Nakai, T.; Nakamura, K.; Nakayama, S.; Nakaya, T.; Nakayoshi, K.; Naples, D.; Nielsen, C.; Nirkko, M.; Nishikawa, K.; Nishimura, Y.; O'Keeffe, H. M.; Ohta, R.; Okumura, K.; Okusawa, T.; Oryszczak, W.; Oser, S. M.; Owen, R. A.; Oyama, Y.; Palladino, V.; Palomino, J.; Paolone, V.; Payne, D.; Perevozchikov, O.; Perkin, J. D.; Petrov, Y.; Pickard, L.; Pinzon Guerra, E. S.; Pistillo, C.; Plonski, P.; Poplawska, E.; Popov, B.; Posiadala, M.; Poutissou, J.-M.; Poutissou, R.; Przewlocki, P.; Quilain, B.; Radicioni, E.; Ratoff, P. N.; Ravonel, M.; Rayner, M. A. M.; Redij, A.; Reeves, M.; Reinherz-Aronis, E.; Retiere, F.; Robert, A.; Rodrigues, P. A.; Rojas, P.; Rondio, E.; Roth, S.; Rubbia, A.; Ruterbories, D.; Sacco, R.; Sakashita, K.; Sánchez, F.; Sato, F.; Scantamburlo, E.; Scholberg, K.; Schoppmann, S.; Schwehr, J.; Scott, M.; Seiya, Y.; Sekiguchi, T.; Sekiya, H.; Sgalaberna, D.; Shiozawa, M.; Short, S.; Shustrov, Y.; Sinclair, P.; Smith, B.; Smith, R. J.; Smy, M.; Sobczyk, J. T.; Sobel, H.; Sorel, M.; Southwell, L.; Stamoulis, P.; Steinmann, J.; Still, B.; Suda, Y.; Suzuki, A.; Suzuki, K.; Suzuki, S. Y.; Suzuki, Y.; Szeglowski, T.; Tacik, R.; Tada, M.; Takahashi, S.; Takeda, A.; Takeuchi, Y.; Tanaka, H. K.; Tanaka, H. A.; Tanaka, M. M.; Terhorst, D.; Terri, R.; Thompson, L. F.; Thorley, A.; Tobayama, S.; Toki, W.; Tomura, T.; Totsuka, Y.; Touramanis, C.; Tsukamoto, T.; Tzanov, M.; Uchida, Y.; Ueno, K.; Vacheret, A.; Vagins, M.; Vasseur, G.; Wachala, T.; Waldron, A. V.; Walter, C. W.; Wark, D.; Wascko, M. O.; Weber, A.; Wendell, R.; Wilkes, R. J.; Wilking, M. J.; Wilkinson, C.; Williamson, Z.; Wilson, J. R.; Wilson, R. J.; Wongjirad, T.; Yamada, Y.; Yamamoto, K.; Yanagisawa, C.; Yen, S.; Yershov, N.; Yokoyama, M.; Yuan, T.; Yu, M.; Zalewska, A.; Zalipska, J.; Zambelli, L.; Zaremba, K.; Ziembicki, M.; Zimmerman, E. D.; Zito, M.; Żmuda, J.; T2K Collaboration

2014-05-01

New data from the T2K neutrino oscillation experiment produce the most precise measurement of the neutrino mixing parameter θ23. Using an off-axis neutrino beam with a peak energy of 0.6 GeV and a data set corresponding to 6.57×1020 protons on target, T2K has fit the energy-dependent νμ oscillation probability to determine oscillation parameters. The 68% confidence limit on sin2(θ23) is 0.514-0.056+0.055 (0.511±0.055), assuming normal (inverted) mass hierarchy. The best-fit mass-squared splitting for normal hierarchy is Δm322=(2.51±0.10)×10-3 eV2/c4 (inverted hierarchy: Δm132=(2.48±0.10)×10-3 eV2/c4). Adding a model of multinucleon interactions that affect neutrino energy reconstruction is found to produce only small biases in neutrino oscillation parameter extraction at current levels of statistical uncertainty.

Cometary spliting - a source for the Jupiter family?

NASA Astrophysics Data System (ADS)

Pittich, E. M.; Rickman, H.

1994-01-01

The quest for the origin of the Jupiter family of comets includes investigating the possibility that a large fraction of this population originates from past splitting events. In particular, one suggested scenario, albeit less attractive on physical grounds, maintains that a giant comet breakup is a major source of short-period comets. By simulating such events and integrating the motions of the fictitious fragments in an accurate solar system model for the typical lifetime of Jupiter family comets, it is possible to check whether the outcome may or may not be compatible with the observed orbital distribution. In this paper we present such integrations for a few typical progenitor orbits and analyze the ensuing thermalization process with particular attention to the Tisserand parameters. It is found that the sets of fragments lose their memory of a common origin very rapidly so that, in general terms, it is difficult to use the random appearance of the observed orbital distribution as evidence against the giant comet splitting hypothesis.

Investigation of operating parameters on CO2 splitting by dielectric barrier discharge plasma

NASA Astrophysics Data System (ADS)

Pan, CHEN; Jun, SHEN; Tangchun, RAN; Tao, YANG; Yongxiang, YIN

2017-12-01

Experiments of CO2 splitting by dielectric barrier discharge (DBD) plasma were carried out, and the influence of CO2 flow rate, plasma power, discharge voltage, discharge frequency on CO2 conversion and process energy efficiency were investigated. It was shown that the absolute quantity of CO2 decomposed was only proportional to the amount of conductive electrons across the discharge gap, and the electron amount was proportional to the discharge power; the energy efficiency of CO2 conversion was almost a constant at a lower level, which was limited by CO2 inherent discharge character that determined a constant gap electric field strength. This was the main reason why CO2 conversion rate decreased as the CO2 flow rate increase and process energy efficiency was decreased a little as applied frequency increased. Therefore, one can improve the CO2 conversion by less feed flow rate or larger discharge power in DBD plasma, but the energy efficiency is difficult to improve.

Engineering Properties and Correlation Analysis of Fiber Cementitious Materials

PubMed Central

Lin, Wei-Ting; Wu, Yuan-Chieh; Cheng, An; Chao, Sao-Jeng; Hsu, Hui-Mi

2014-01-01

This study focuses on the effect of the amount of silica fume addition and volume fraction of steel fiber on the engineering properties of cementitious materials. Test variables include dosage of silica fume (5% and 10%), water/cement ratio (0.35 and 0.55) and steel fiber dosage (0.5%, 1.0% and 2.0%). The experimental results included: compressive strength, direct tensile strength, splitting tensile strength, surface abrasion and drop-weight test, which were collected to carry out the analysis of variance to realize the relevancy and significance between material parameters and those mechanical properties. Test results illustrate that the splitting tensile strength, direct tensile strength, strain capacity and ability of crack-arresting increase with increasing steel fiber and silica fume dosages, as well as the optimum mixture of the fiber cementitious materials is 5% replacement silica fume and 2% fiber dosage. In addition, the Pearson correlation coefficient was conducted to evaluate the influence of the material variables and corresponds to the experiment result. PMID:28788256

The effect of high hydrostatic pressure treatment on the molecular structure of starches with different amylose content.

PubMed

Szwengiel, Artur; Lewandowicz, Grażyna; Górecki, Adrian R; Błaszczak, Wioletta

2018-02-01

The effect of high hydrostatic pressure processing (650MPa/9min) on molecular mass distribution, and hydrodynamic and structural parameters of amylose (maize, sorghum, Hylon VII) and amylopectin (waxy maize, amaranth) starches was studied. The starches were characterized by high-performance size-exclusion chromatography (HPSEC) equipped with static light scattering and refractive index detectors and by Fourier Transform Infrared (FTIR) spectroscopy. Significant changes were observed in molecular mass distribution of pressurized waxy maize starch. Changes in branches/branch frequency, intrinsic viscosity, and radius of gyration were observed for all treated starches. The combination of SEC and FTIR data showed that α-1,6-glycosidic bonds are more frequently split in pressurized amaranth, Hylon VII, and waxy maize starch, while in sorghum and maize starches, the α-1,4 bonds are most commonly split. Our results show that the structural changes found for pressurized starches were more strongly determined by the starch origin than by the processing applied. Copyright © 2017 Elsevier Ltd. All rights reserved.

Temporal variation characteristics of shear-wave splitting for the Rushan earthquake swarm of Shandong Province

NASA Astrophysics Data System (ADS)

Miao, Qingjie; Liu, Xiqiang

2017-03-01

The seismicity in Rushan region of Shandong Province is characterized by small swarms after the ML3.8 Rushan earthquake on October 1, 2013, and this situation continues up to now. Four earthquakes with ML4.7, ML4.5, ML4.1 and ML5.0 occurred from January of 2014 to May of 2015 cause great social effects. Based on the seismic records from the Rushan station, this paper calculated the shear-wave splitting parameters of 224 small earthquakes of Rushan earthquake swarm. The result shows that the polarization direction of the fast shear-wave is consistent with the principal compressive stress direction of the Shandong peninsula; on the other hand, the time delay has obvious change before and after the four earthquakes, that is, it raised about one month and declined about twelve days before earthquake. All the characteristics can be taken as the precursor indicator for earthquake prediction based on stress.

Temporal and frequency characteristics of a narrow light beam in sea water.

PubMed

Luchinin, Alexander G; Kirillin, Mikhail Yu

2016-09-20

The structure of a light field in sea water excited by a unidirectional point-sized pulsed source is studied by Monte Carlo technique. The pulse shape registered at the distances up to 120 m from the source on the beam axis and in its axial region is calculated with a time resolution of 1 ps. It is shown that with the increase of the distance from the source the pulse splits into two parts formed by components of various scattering orders. Frequency and phase responses of the beam are calculated by means of the fast Fourier transform. It is also shown that for higher frequencies, the attenuation of harmonic components of the field is larger. In the range of parameters corresponding to pulse splitting on the beam axis, the attenuation of harmonic components in particular spectral ranges exceeds the attenuation predicted by Bouguer law. In this case, the transverse distribution of the amplitudes of these harmonics is minimal on the beam axis.

Electromagnetic wave energy flow control with a tunable and reconfigurable coupled plasma split-ring resonator metamaterial: A study of basic conditions and configurations

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

Kourtzanidis, Konstantinos, E-mail: kkourt@utexas.edu; Pederson, Dylan M.; Raja, Laxminarayan L.

2016-05-28

We propose and study numerically a tunable and reconfigurable metamaterial based on coupled split-ring resonators (SRRs) and plasma discharges. The metamaterial couples the magnetic-electric response of the SRR structure with the electric response of a controllable plasma slab discharge that occupies a volume of the metamaterial. Because the electric response of a plasma depends on its constitutive parameters (electron density and collision frequency), the plasma-based metamaterial is tunable and active. Using three-dimensional numerical simulations, we analyze the coupled plasma-SRR metamaterial in terms of transmittance, performing parametric studies on the effects of electron density, collisional frequency, and the position of themore » plasma slab with respect to the SRR array. We find that the resonance frequency can be controlled by the plasma position or the plasma-to-collision frequency ratio, while transmittance is highly dependent on the latter.« less

17O NMR Investigation of Water Structure and Dynamics

PubMed Central

Keeler, Eric G.; Michaelis, Vladimir K.; Griffin, Robert G.

2017-01-01

The structure and dynamics of the bound water in barium chlorate monohydrate were studied with 17O nuclear magnetic resonance (NMR) spectroscopy in samples that are stationary and spinning at the magic-angle in magnetic fields ranging from 14.1 to 21.1 T. 17O NMR parameters of the water were determined, and the effects of torsional oscillations of the water molecule on the 17O quadrupolar coupling constant (CQ) were delineated with variable temperature MAS NMR. With decreasing temperature and reduction of the librational motion, we observe an increase in the experimentally measured CQ explaining the discrepancy between experiments and predictions from density functional theory. In addition, at low temperatures and in the absence of 1H decoupling, we observe a well-resolved 1H–17O dipole splitting in the spectra, which provides information on the structure of the H2O molecule. The splitting arises because of the homogeneous nature of the coupling between the two 1H–17O dipoles and the 1H–1H dipole. PMID:27454747

Seismic azimuthal anisotropy beneath the eastern United States and its geodynamic implications

NASA Astrophysics Data System (ADS)

Yang, Bin B.; Liu, Yunhua; Dahm, Haider; Liu, Kelly H.; Gao, Stephen S.

2017-03-01

Systematic spatial variations of anisotropic characteristics are revealed beneath the eastern U.S. using seismic data recorded between 1988 and 2016 by 785 stations. The resulting fast polarization orientations of the 5613 measurements are generally subparallel to the absolute plate motion (APM) and are inconsistent with the strike of major tectonic features. This inconsistency, together with the results of depth estimation using the spatial coherency of the splitting parameters, suggests a mostly asthenospheric origin of the observed azimuthal anisotropy. The observations can be explained by a combined effect of APM-induced mantle fabric and a flow system deflected horizontally around the edges of the keel of the North American continent. Beneath the southern and northeastern portions of the study area, the E-W keel-deflected flow enhances APM-induced fabric and produces mostly E-W fast orientations with large splitting times, while beneath the southeastern U.S., anisotropy from the N-S oriented flow is weakened by the APM.

Multi-objective component sizing of a power-split plug-in hybrid electric vehicle powertrain using Pareto-based natural optimization machines

NASA Astrophysics Data System (ADS)

Mozaffari, Ahmad; Vajedi, Mahyar; Chehresaz, Maryyeh; Azad, Nasser L.

2016-03-01

The urgent need to meet increasingly tight environmental regulations and new fuel economy requirements has motivated system science researchers and automotive engineers to take advantage of emerging computational techniques to further advance hybrid electric vehicle and plug-in hybrid electric vehicle (PHEV) designs. In particular, research has focused on vehicle powertrain system design optimization, to reduce the fuel consumption and total energy cost while improving the vehicle's driving performance. In this work, two different natural optimization machines, namely the synchronous self-learning Pareto strategy and the elitism non-dominated sorting genetic algorithm, are implemented for component sizing of a specific power-split PHEV platform with a Toyota plug-in Prius as the baseline vehicle. To do this, a high-fidelity model of the Toyota plug-in Prius is employed for the numerical experiments using the Autonomie simulation software. Based on the simulation results, it is demonstrated that Pareto-based algorithms can successfully optimize the design parameters of the vehicle powertrain.

Stress- and Structure-Induced Anisotropy in Southern California From Two Decades of Shear Wave Splitting Measurements

NASA Astrophysics Data System (ADS)

Li, Zefeng; Peng, Zhigang

2017-10-01

We measure shear wave splitting (SWS) parameters (i.e., fast direction and delay time) using 330,000 local earthquakes recorded by more than 400 stations of the Southern California Seismic Network (1995-2014). The resulting 232,000 SWS measurements (90,000 high-quality ones) provide a uniform and comprehensive database of local SWS measurements in Southern California. The fast directions at many stations are consistent with regional maximum compressional stress σHmax. However, several regions show clear deviations from the σHmax directions. These include linear sections along the San Andreas Fault and the Santa Ynez Fault, geological blocks NW to the Los Angeles Basin, regions around the San Jacinto Fault, the Peninsular Ranges near San Diego, and the Coso volcanic field. These complex patterns show that regional stresses and active faults cannot adequately explain the upper crustal anisotropy in Southern California. Other types of local structures, such as local rock types or tectonic features, also play significant roles.

Cascades of Particles Moving at Finite Velocity in Hyperbolic Spaces

NASA Astrophysics Data System (ADS)

Cammarota, V.; Orsingher, E.

2008-12-01

A branching process of particles moving at finite velocity over the geodesic lines of the hyperbolic space (Poincaré half-plane and Poincaré disk) is examined. Each particle can split into two particles only once at Poisson spaced times and deviates orthogonally when splitted. At time t, after N( t) Poisson events, there are N( t)+1 particles moving along different geodesic lines. We are able to obtain the exact expression of the mean hyperbolic distance of the center of mass of the cloud of particles. We derive such mean hyperbolic distance from two different and independent ways and we study the behavior of the relevant expression as t increases and for different values of the parameters c (hyperbolic velocity of motion) and λ (rate of reproduction). The mean hyperbolic distance of each moving particle is also examined and a useful representation, as the distance of a randomly stopped particle moving over the main geodesic line, is presented.

Nuclear symmetry energy in terms of single-nucleon potential and its effect on the proton fraction of β-stable npeμ matter

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

Sahoo, Babita, E-mail: patra-babita@rediffmail.com; Chakraborty, Suparna, E-mail: banerjee.suparna@hotmail.com; Sahoo, Sukadev, E-mail: sukadevsahoo@yahoo.com

2016-01-15

Momentum and density dependence of single-nucleon potential u{sub τ} (k, ρ, β) is analyzed using a density dependent finite range effective interaction of the Yukawa form. Depending on the choice of the strength parameters of exchange interaction, two different trends of the momentum dependence of nuclear symmetry potential are noticed which lead to two opposite types of neutron and proton effective mass splitting. The 2nd-order and 4th-order symmetry energy of isospin asymmetric nuclear matter are expressed analytically in terms of the single-nucleon potential. Two distinct behavior of the density dependence of 2nd-order and 4th-order symmetry energy are observed depending onmore » neutron and proton effective mass splitting. It is also found that the 4th-order symmetry energy has a significant contribution towards the proton fraction of β-stable npeμ matter at high densities.« less

The Progressive Fragmentation of 332P/Ikeya-Murakami

NASA Astrophysics Data System (ADS)

Kleyna, J. T.; Ye, Q.-Z.; Hui, M.-T.; Meech, K. J.; Wainscoat, R.; Micheli, M.; Keane, J. V.; Weaver, H. A.; Weryk, R.

2016-08-01

We describe 2016 January-April observations of the fragments of 332P/Ikeya-Murakami, a comet earlier observed in a 2010 October outburst. We present photometry of the fragments and perform simulations to infer the time of breakup. We argue that the eastern-most rapidly brightening fragment (F4) best corresponds to the original nucleus, rather than the initial bright fragment F1. We compute radial and tangential nongravitational parameters, A 1 = (1.5 ± 0.4) × 10-8 au day-2 and (7.2 ± 1.9) × 10-9 au day-2 both are consistent with zero at the 4σ level. Monte Carlo simulations indicate that the fragments were emitted on the outbound journey well after the 2010 outburst, with bright fragment F1 splitting in early 2014 and the fainter fragments within months of the 2016 January recovery. Western fragment F7 is the oldest, dating from 2011. We suggest that the delayed onset of the splitting is consistent with a self-propagating crystallization of water ice.

A splitting algorithm for a novel regularization of Perona-Malik and application to image restoration

NASA Astrophysics Data System (ADS)

Karami, Fahd; Ziad, Lamia; Sadik, Khadija

2017-12-01

In this paper, we focus on a numerical method of a problem called the Perona-Malik inequality which we use for image denoising. This model is obtained as the limit of the Perona-Malik model and the p-Laplacian operator with p→ ∞. In Atlas et al., (Nonlinear Anal. Real World Appl 18:57-68, 2014), the authors have proved the existence and uniqueness of the solution of the proposed model. However, in their work, they used the explicit numerical scheme for approximated problem which is strongly dependent to the parameter p. To overcome this, we use in this work an efficient algorithm which is a combination of the classical additive operator splitting and a nonlinear relaxation algorithm. At last, we have presented the experimental results in image filtering show, which demonstrate the efficiency and effectiveness of our algorithm and finally, we have compared it with the previous scheme presented in Atlas et al., (Nonlinear Anal. Real World Appl 18:57-68, 2014).

Tuning the metal-insulator transition in d1 and d2 perovskites by epitaxial strain: A first-principles-based study

NASA Astrophysics Data System (ADS)

Sclauzero, Gabriele; Dymkowski, Krzysztof; Ederer, Claude

2016-12-01

We investigate the effect of epitaxial strain on the Mott metal-insulator transition (MIT) in perovskite systems with d1 and d2 electron configurations of the transition metal (TM) cation. We first discuss the general trends expected from the changes in the crystal-field splitting and in the hopping parameters that are induced by epitaxial strain. We argue that the strain-induced crystal-field splitting generally favors the Mott-insulating state, whereas the strain-induced changes in the hopping parameters favor the metallic state under compressive strain and the insulating state under tensile strain. Thus the two effects can effectively cancel each other under compressive strain, while they usually cooperate under tensile strain, in this case favoring the insulating state. We then validate these general considerations by performing electronic structure calculations for several d1 and d2 perovskites, using a combination of density functional theory (DFT) and dynamical mean-field theory (DMFT). We isolate the individual effects of strain-induced changes in either hopping or crystal-field by performing DMFT calculations where we fix one type of parameter to the corresponding unstrained DFT values. These calculations confirm our general considerations for SrVO3 (d1) and LaVO3 (d2), whereas the case of LaTiO3 (d1) is distinctly different, due to the strong effect of the octahedral tilt distortion in the underlying perovskite crystal structure. Our results demonstrate the possibility to tune the electronic properties of correlated TM oxides by using epitaxial strain, which allows to control the strength of electronic correlations and the vicinity to the Mott MIT.

Quantitative analysis of image quality for acceptance and commissioning of an MRI simulator with a semiautomatic method.

PubMed

Chen, Xinyuan; Dai, Jianrong

2018-05-01

Magnetic Resonance Imaging (MRI) simulation differs from diagnostic MRI in purpose, technical requirements, and implementation. We propose a semiautomatic method for image acceptance and commissioning for the scanner, the radiofrequency (RF) coils, and pulse sequences for an MRI simulator. The ACR MRI accreditation large phantom was used for image quality analysis with seven parameters. Standard ACR sequences with a split head coil were adopted to examine the scanner's basic performance. The performance of simulation RF coils were measured and compared using the standard sequence with different clinical diagnostic coils. We used simulation sequences with simulation coils to test the quality of image and advanced performance of the scanner. Codes and procedures were developed for semiautomatic image quality analysis. When using standard ACR sequences with a split head coil, image quality passed all ACR recommended criteria. The image intensity uniformity with a simulation RF coil decreased about 34% compared with the eight-channel diagnostic head coil, while the other six image quality parameters were acceptable. Those two image quality parameters could be improved to more than 85% by built-in intensity calibration methods. In the simulation sequences test, the contrast resolution was sensitive to the FOV and matrix settings. The geometric distortion of simulation sequences such as T1-weighted and T2-weighted images was well-controlled in the isocenter and 10 cm off-center within a range of ±1% (2 mm). We developed a semiautomatic image quality analysis method for quantitative evaluation of images and commissioning of an MRI simulator. The baseline performances of simulation RF coils and pulse sequences have been established for routine QA. © 2018 The Authors. Journal of Applied Clinical Medical Physics published by Wiley Periodicals, Inc. on behalf of American Association of Physicists in Medicine.

Next stop for the CRISPR revolution: RNA-guided epigenetic regulators.

PubMed

Vora, Suhani; Tuttle, Marcelle; Cheng, Jenny; Church, George

2016-09-01

Clustered regularly interspaced short palindromic repeats (CRISPRs) and CRISPR-associated (Cas) proteins offer a breakthrough platform for cheap, programmable, and effective sequence-specific DNA targeting. The CRISPR-Cas system is naturally equipped for targeted DNA cutting through its native nuclease activity. As such, groups researching a broad spectrum of biological organisms have quickly adopted the technology with groundbreaking applications to genomic sequence editing in over 20 different species. However, the biological code of life is not only encoded in genetics but also in epigenetics as well. While genetic sequence editing is a powerful ability, we must also be able to edit and regulate transcriptional and epigenetic code. Taking inspiration from work on earlier sequence-specific targeting technologies such as zinc fingers (ZFs) and transcription activator-like effectors (TALEs), researchers quickly expanded the CRISPR-Cas toolbox to include transcriptional activation, repression, and epigenetic modification. In this review, we highlight advances that extend the CRISPR-Cas toolkit for transcriptional and epigenetic regulation, as well as best practice guidelines for these tools, and a perspective on future applications. © 2016 The Authors. The FEBS Journal published by John Wiley & Sons Ltd on behalf of Federation of European Biochemical Societies.

Radial transfer effects for poloidal rotation

NASA Astrophysics Data System (ADS)

Hallatschek, Klaus

2010-11-01

Radial transfer of energy or momentum is the principal agent responsible for radial structures of Geodesic Acoustic Modes (GAMs) or stationary Zonal Flows (ZF) generated by the turbulence. For the GAM, following a physical approach, it is possible to find useful expressions for the individual components of the Poynting flux or radial group velocity allowing predictions where a mathematical full analysis is unfeasible. Striking differences between up-down symmetric flux surfaces and asymmetric ones have been found. For divertor geometries, e.g., the direction of the propagation depends on the sign of the ion grad-B drift with respect to the X-point, reminiscent of a sensitive determinant of the H-mode threshold. In nonlocal turbulence computations it becomes obvious that the linear energy transfer terms can be completely overwhelmed by the action of the turbulence. In contrast, stationary ZFs are governed by the turbulent radial transfer of momentum. For sufficiently large systems, the Reynolds stress becomes a deterministic functional of the flows, which can be empirically determined from the stress response in computational turbulence studies. The functional allows predictions even on flow/turbulence states not readily obtainable from small amplitude noise, such as certain transport bifurcations or meta-stable states.

A comparative study and application of continuously variable transmission to a single main rotor heavy lift helicopter

NASA Astrophysics Data System (ADS)

Hameer, Sameer

Rotorcraft transmission design is limited by empirical weight trends that are proportional to the power/torque raised to the two-thirds coupled with the relative inexperience industry has with the employment of variable speed transmission to heavy lift helicopters of the order of 100,000 lbs gross weight and 30,000 installed horsepower. The advanced rotorcraft transmission program objectives are to reduce transmission weight by at least 25%, reduce sound pressure levels by at least 10 dB, have a 5000 hr mean time between removal, and also incorporate the use of split torque technology in rotorcraft drivetrains of the future. The major obstacle that challenges rotorcraft drivetrain design is the selection, design, and optimization of a variable speed transmission in the goal of achieving a 50% reduction in rotor speed and its ability to handle high torque with light weight gears, as opposed to using a two-speed transmission which has inherent structural problems and is highly unreliable due to the embodiment of the traction type transmission, complex clutch and brake system. This thesis selects a nontraction pericyclic continuously variable transmission (P-CVT) as the best approach for a single main rotor heavy lift helicopter. The objective is to target and overcome the above mentioned obstacle for drivetrain design. Overcoming this obstacle provides advancement in the state of the art of drivetrain design over existing planetary and split torque transmissions currently used in helicopters. The goal of the optimization process was to decrease weight, decrease noise, increase efficiency, and increase safety and reliability. The objective function utilized the minimization of the weight and the major constraint is the tooth bending stress of the facegears. The most important parameters of the optimization process are weight, maintainability, and reliability which are cross-functionally related to each other, and these parameters are related to the torques and operating speeds. The analysis of the split torque type P-CVT achieved a weight reduction of 42.5% and 40.7% over planetary and split torque transmissions respectively. In addition, a 19.5 dB sound pressure level reduction was achieved using active gear struts, and also the use of fabricated steel truss like housing provided a higher maintainability and reliability, low cost, and low weight over cast magnesium housing currently employed in helicopters. The static finite element analysis of the split torque type P-CVT, both 2-D and 3-D, yielded stresses below the allowable bending stress of the material. The goal of the finite element analysis is to see if the designed product has met its functional requirements. The safety assessment of the split torque type P-CVT yielded a 99% probability of mission success based on a Monte Carlo simulation using stochastic-petri net analysis and a failure hazard analysis. This was followed by an FTA/RBD analysis which yielded an overall system failure rate of 140.35 failures per million hours, and a preliminary certification and time line of certification was performed. The use of spherical facegears and pericyclic kinematics has advanced the state of the art in drivetrain design primarily in the reduction of weight and noise coupled with high safety, reliability, and efficiency.

Microwave measurements of proton tunneling and structural parameters for the propiolic acid-formic acid dimer.

PubMed

Daly, Adam M; Douglass, Kevin O; Sarkozy, Laszlo C; Neill, Justin L; Muckle, Matt T; Zaleski, Daniel P; Pate, Brooks H; Kukolich, Stephen G

2011-10-21

Microwave spectra of the propiolic acid-formic acid doubly hydrogen bonded complex were measured in the 1 GHz to 21 GHz range using four different Fourier transform spectrometers. Rotational spectra for seven isotopologues were obtained. For the parent isotopologue, a total of 138 a-dipole transitions and 28 b-dipole transitions were measured for which the a-dipole transitions exhibited splittings of a few MHz into pairs of lines and the b-type dipole transitions were split by ~580 MHz. The transitions assigned to this complex were fit to obtain rotational and distortion constants for both tunneling levels: A(0+) = 6005.289(8), B(0+) = 930.553(8), C(0+) = 803.9948(6) MHz, Δ(0+)(J) = 0.075(1), Δ(0+)(JK) = 0.71(1), and δ(0+)(j) = -0.010(1) kHz and A(0-) = 6005.275(8), B(0-) = 930.546(8), C(0-) = 803.9907(5) MHz, Δ(0-)(J) = 0.076(1), Δ(0-)(JK) = 0.70(2), and δ(0-)(j) = -0.008(1) kHz. Double resonance experiments were used on some transitions to verify assignments and to obtain splittings for cases when the b-dipole transitions were difficult to measure. The experimental difference in energy between the two tunneling states is 291.428(5) MHz for proton-proton exchange and 3.35(2) MHz for the deuterium-deuterium exchange. The vibration-rotation coupling constant between the two levels, F(ab), is 120.7(2) MHz for the proton-proton exchange. With one deuterium atom substituted in either of the hydrogen-bonding protons, the tunneling splittings were not observed for a-dipole transitions, supporting the assignment of the splitting to the concerted proton tunneling motion. The spectra were obtained using three Flygare-Balle type spectrometers and one chirped-pulse machine at the University of Virginia. Rotational constants and centrifugal distortion constants were obtained for HCOOH···HOOCCCH, H(13)COOH···HOOCCCH, HCOOD···HOOCCCH, HCOOH···DOOCCCH, HCOOD···DOOCCCH, DCOOH···HOOCCCH, and DCOOD···HOOCCCH. High-level ab initio calculations provided initial rotational constants for the complex, structural parameters, and some details of the proton tunneling potential energy surface. A least squares fit to the isotopic data reveals a planar structure that is slightly asymmetric in the OH distances. The formic OH···O propiolic hydrogen bond length is 1.8 Å and the propiolic OH···O formic hydrogen bond length is 1.6 Å, for the equilibrium configuration. The magnitude of the dipole moment was experimentally determined to be 1.95(3) × 10(-30) C m (0.584(8) D) for the 0(+) states and 1.92(5) × 10(-30) C m (0.576(14) D) for the 0(-) states. © 2011 American Institute of Physics

Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

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

Valentim, Alexandra; Rocha, Julio C. S.; Tsai, Shan-Ho

We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, inmore » which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this diculty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.« less

Modeling and analysis of the space shuttle nose-gear tire with semianalytic finite elements

NASA Technical Reports Server (NTRS)

Kim, Kyun O.; Noor, Ahmed K.; Tanner, John A.

1990-01-01

A computational procedure is presented for the geometrically nonlinear analysis of aircraft tires. The Space Shuttle Orbiter nose gear tire was modeled by using a two-dimensional laminated anisotropic shell theory with the effects of variation in material and geometric parameters included. The four key elements of the procedure are: (1) semianalytic finite elements in which the shell variables are represented by Fourier series in the circumferential direction and piecewise polynominals in the meridional direction; (2) a mixed formulation with the fundamental unknowns consisting of strain parameters, stress-resultant parameters, and generalized displacements; (3) multilevel operator splitting to effect successive simplifications, and to uncouple the equations associated with different Fourier harmonics; and (4) multilevel iterative procedures and reduction techniques to generate the response of the shell. Numerical results of the Space Shuttle Orbiter nose gear tire model are compared with experimental measurements of the tire subjected to inflation loading.

Modeling the cooperative and competitive contagions in online social networks

NASA Astrophysics Data System (ADS)

Zhuang, Yun-Bei; Chen, J. J.; Li, Zhi-hong

2017-10-01

The wide adoption of social media has increased the interaction among different pieces of information, and this interaction includes cooperation and competition for our finite attention. While previous research focus on fully competition, this paper extends the interaction to be both "cooperation" and "competition", by employing an IS1S2 R model. To explore how two different pieces of information interact with each other, the IS1S2 R model splits the agents into four parts-(Ignorant-Spreader I-Spreader II-Stifler), based on SIR epidemic spreading model. Using real data from Weibo.com, a social network site similar to Twitter, we find some parameters, like decaying rates, can both influence the cooperative diffusion process and the competitive process, while other parameters, like infectious rates only have influence on the competitive diffusion process. Besides, the parameters' effect are more significant in the competitive diffusion than in the cooperative diffusion.

Hyperentanglement concentration for polarization-spatial-time-bin hyperentangled photon systems with linear optics

NASA Astrophysics Data System (ADS)

Wang, Hong; Ren, Bao-Cang; Alzahrani, Faris; Hobiny, Aatef; Deng, Fu-Guo

2017-10-01

Hyperentanglement has significant applications in quantum information processing. Here we present an efficient hyperentanglement concentration protocol (hyper-ECP) for partially hyperentangled Bell states simultaneously entangled in polarization, spatial-mode and time-bin degrees of freedom (DOFs) with the parameter-splitting method, where the parameters of the partially hyperentangled Bell states are known to the remote parties. In this hyper-ECP, only one remote party is required to perform some local operations on the three DOFs of a photon, only the linear optical elements are considered, and the success probability can achieve the maximal value. Our hyper-ECP can be easily generalized to concentrate the N-photon partially hyperentangled Greenberger-Horne-Zeilinger states with known parameters, where the multiple DOFs have largely improved the channel capacity of long-distance quantum communication. All of these make our hyper-ECP more practical and useful in high-capacity long-distance quantum communication.

Evaluation of Spin Hamiltonian Parameters and Local Structure of Cu2+-doped Ion in xK2SO4-(50 - x)Na2SO4-50ZnSO4 Glasses with Various K2SO4 Concentrations

NASA Astrophysics Data System (ADS)

Ding, Ch.-Ch.; Wu, Sh.-Y.; Xu, Y.-Q.; Zhang, L.-J.; He, J.-J.

2018-03-01

The spin Hamiltonian parameters (SHPs), i.e., g factors and hyperfine structure constants, and local structures are theoretically studied by analyzing tetragonally elongated 3d9 clusters for Cu2+ in xK2SO4-(50 - x)Na2SO4-50ZnSO4 glasses with various K2SO4 concentrations x. The concentration dependences of the SHPs are attributed to the parabolic decreases of the cubic field parameter Dq, orbital reduction factor k, relative tetragonal elongation ratio τ, and core polarization constant κ with x. The [CuO6]10- clusters are found to undergo significant elongations of about 17% due to the Jahn-Teller effect. The calculated cubic field splittings and the SHPs at various concentrations agree well with the experimental data.

Aggregation-fragmentation-diffusion model for trail dynamics

DOE PAGES

Kawagoe, Kyle; Huber, Greg; Pradas, Marc; ...

2017-07-21

We investigate statistical properties of trails formed by a random process incorporating aggregation, fragmentation, and diffusion. In this stochastic process, which takes place in one spatial dimension, two neighboring trails may combine to form a larger one, and also one trail may split into two. In addition, trails move diffusively. The model is defined by two parameters which quantify the fragmentation rate and the fragment size. In the long-time limit, the system reaches a steady state, and our focus is the limiting distribution of trail weights. We find that the density of trail weight has power-law tail P(w)~w –γ formore » small weight w. We obtain the exponent γ analytically and find that it varies continuously with the two model parameters. In conclusion, the exponent γ can be positive or negative, so that in one range of parameters small-weight trails are abundant and in the complementary range they are rare.« less

On-demand acoustic droplet splitting and steering in a disposable microfluidic chip.

PubMed

Park, Jinsoo; Jung, Jin Ho; Park, Kwangseok; Destgeer, Ghulam; Ahmed, Husnain; Ahmad, Raheel; Sung, Hyung Jin

2018-01-30

On-chip droplet splitting is one of the fundamental droplet-based microfluidic unit operations to control droplet volume after production and increase operational capability, flexibility, and throughput. Various droplet splitting methods have been proposed, and among them the acoustic droplet splitting method is promising because of its label-free operation without any physical or thermal damage to droplets. Previous acoustic droplet splitting methods faced several limitations: first, they employed a cross-type acoustofluidic device that precluded multichannel droplet splitting; second, they required irreversible bonding between a piezoelectric substrate and a microfluidic chip, such that the fluidic chip was not replaceable. Here, we present a parallel-type acoustofluidic device with a disposable microfluidic chip to address the limitations of previous acoustic droplet splitting devices. In the proposed device, an acoustic field is applied in the direction opposite to the flow direction to achieve multichannel droplet splitting and steering. A disposable polydimethylsiloxane microfluidic chip is employed in the developed device, thereby removing the need for permanent bonding and improving the flexibility of the droplet microfluidic device. We experimentally demonstrated on-demand acoustic droplet bi-splitting and steering with precise control over the droplet splitting ratio, and we investigated the underlying physical mechanisms of droplet splitting and steering based on Laplace pressure and ray acoustics analyses, respectively. We also demonstrated droplet tri-splitting to prove the feasibility of multichannel droplet splitting. The proposed on-demand acoustic droplet splitting device enables on-chip droplet volume control in various droplet-based microfluidic applications.

The fate of a gray soliton in a quenched Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Gamayun, Oleksandr; Bezvershenko, Yulia; Cheianov, Vadim

2015-03-01

We investigate the destiny of a gray soliton in a repulsive one-dimensional Bose-Einstein condensate undergoing a sudden quench of the non-linearity parameter. The outcome of the quench is found to depend dramatically on the ratio η of the final and initial values of the speed of sound. For integer η the soliton splits into exactly 2 η - 1 solitons. For non-integer η the soliton decays into multiple solitons and Bogoliubov modes. The case of integer η is analyzed in detail. The parameters of solitons in the out-state are found explicitly. Our approach exploits the inverse scattering method and can be easily used for the similar quenches in any classical integrable system.

Relaxation to a Phase-Locked Equilibrium State in a One-Dimensional Bosonic Josephson Junction

NASA Astrophysics Data System (ADS)

Pigneur, Marine; Berrada, Tarik; Bonneau, Marie; Schumm, Thorsten; Demler, Eugene; Schmiedmayer, Jörg

2018-04-01

We present an experimental study on the nonequilibrium tunnel dynamics of two coupled one-dimensional Bose-Einstein quasicondensates deep in the Josephson regime. Josephson oscillations are initiated by splitting a single one-dimensional condensate and imprinting a relative phase between the superfluids. Regardless of the initial state and experimental parameters, the dynamics of the relative phase and atom number imbalance shows a relaxation to a phase-locked steady state. The latter is characterized by a high phase coherence and reduced fluctuations with respect to the initial state. We propose an empirical model based on the analogy with the anharmonic oscillator to describe the effect of various experimental parameters. A microscopic theory compatible with our observations is still missing.

Contribution functions for Zeeman-split lines, and line formation in photospheric faculae

NASA Technical Reports Server (NTRS)

Vanballegooijen, A. A.

1985-01-01

The transfer of polarized light in an inhomogeneous stellar atmosphere, and the formation of magnetically sensitive spectral lines, are discussed. A new method for the solution of the transfer equations is proposed. The method gives a natural definition of the contribution functions for Stokes' parameters, i.e., functions describing the contributions from different parts along the line-of-sight (LOS). The formalism includes all magneto-optical effects, and allows for an arbitrary variation of magnetic field, velocity field, temperature, density, etc., along the LOS. The formation of FeI lambda 5250.2 in photospheric faculae is described. A potential-field model of a facular element is presented, and spectra profiles and contribution functions are computed for the Stokes parameters I, Q, and V.

Automatic Parameterization Strategy for Cardiac Electrophysiology Simulations

PubMed Central

Costa, Caroline Mendonca; Hoetzl, Elena; Rocha, Bernardo Martins; Prassl, Anton J; Plank, Gernot

2014-01-01

Driven by recent advances in medical imaging, image segmentation and numerical techniques, computer models of ventricular electrophysiology account for increasingly finer levels of anatomical and biophysical detail. However, considering the large number of model parameters involved parameterization poses a major challenge. A minimum requirement in combined experimental and modeling studies is to achieve good agreement in activation and repolarization sequences between model and experiment or patient data. In this study, we propose basic techniques which aid in determining bidomain parameters to match activation sequences. An iterative parameterization algorithm is implemented which determines appropriate bulk conductivities which yield prescribed velocities. In addition, a method is proposed for splitting the computed bulk conductivities into individual bidomain conductivities by prescribing anisotropy ratios. PMID:24729986

New Equations for Calculating Principal and Fine-Structure Atomic Spectra for Single and Multi-Electron Atoms

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

Surdoval, Wayne A.; Berry, David A.; Shultz, Travis R.

A set of equations are presented for calculating atomic principal spectral lines and fine-structure energy splits for single and multi-electron atoms. Calculated results are presented and compared to the National Institute of Science and Technology database demonstrating very good accuracy. The equations do not require fitted parameters. The only experimental parameter required is the Ionization energy for the electron of interest. The equations have comparable accuracy and broader applicability than the single electron Dirac equation. Three Appendices discuss the origin of the new equations and present calculated results. New insights into the special relativistic nature of the Dirac equation andmore » its relationship to the new equations are presented.« less

Different polarization dynamic states in a vector Yb-doped fiber laser.

PubMed

Li, Xingliang; Zhang, Shumin; Han, Huiyun; Han, Mengmeng; Zhang, Huaxing; Zhao, Luming; Wen, Fang; Yang, Zhenjun

2015-04-20

Different polarization dynamic states in an unidirectional, vector, Yb-doped fiber ring laser have been observed. A rich variety of dynamic states, including group velocity locked polarization domains and their splitting into regularly distributed multiple domains, polarization locked square pulses and their harmonic mode locking counterparts, and dissipative soliton resonances have all been observed with different operating parameters. We have also shown experimentally details of the conditions under which polarization-domain-wall dark pulses and bright square pulses form.

Plasma channels during filamentation of a femtosecond laser pulse with wavefront astigmatism in air

NASA Astrophysics Data System (ADS)

Dergachev, A. A.; Ionin, A. A.; Kandidov, V. P.; Mokrousova, D. V.; Seleznev, L. V.; Sinitsyn, D. V.; Sunchugasheva, E. S.; Shlenov, S. A.; Shustikova, A. P.

2014-12-01

We have demonstrated experimentally and numerically the possibility of controlling parameters of plasma channels formed during filamentation of a femtosecond laser pulse by introducing astigmatism in the laser beam wavefront. It is found that weak astigmatism increases the length of the plasma channel in comparison with the case of aberration-free focusing and that strong astigmatism can cause splitting of the plasma channel into two channels located one after another on the filament axis.

Dynamics of a spin-boson model with structured spectral density

NASA Astrophysics Data System (ADS)

Kurt, Arzu; Eryigit, Resul

2018-05-01

We report the results of a study of the dynamics of a two-state system coupled to an environment with peaked spectral density. An exact analytical expression for the bath correlation function is obtained. Validity range of various approximations to the correlation function for calculating the population difference of the system is discussed as function of tunneling splitting, oscillator frequency, coupling constant, damping rate and the temperature of the bath. An exact expression for the population difference, for a limited range of parameters, is derived.

Microwave spectrum, structure, dipole moment, and Coriolis coupling of 1,1-difluoroallene

NASA Technical Reports Server (NTRS)

Durig, J. R.; Li, Y. S.; Tong, C. C.; Zens, A. P.; Ellis, P. D.

1974-01-01

Microwave spectra from 12.4 to 40.0 GHz were recorded for five isotopic species of 1,1-difluoroallene. A-type transitions were observed and R-branch assignments were made for the ground state and two vibrationally excited states. Several structural parameters of the compounds were determined. The dipole moment value obtained from Stark splitting was 2.07 plus or minus 0.03 D. A Coriolis coupling was observed between the two-low-frequency C = C = C bending modes.

Luminescence signal profiling: a new proxy for sedimentologically "invisible" marine Mass Transport Deposits (MTDs)

NASA Astrophysics Data System (ADS)

López, Gloria I.; Bialik, Or; Waldmann, Nicolas

2017-04-01

When dealing with fine-grained, organic-rich, colour-monotone, underwater marine sediment cores retrieved from the continental shelf or slope, the initial visual impression, upon split-opening the vessels, is often of a "disappointing" homogeneous, monotonous, continuous archive. Only after thorough, micro- to macro-scale, multi-parameter investigations the sediment reveals its treasures, initially by performing some measurements on the intact core itself, hence depicting for the first time its contents, and subsequently by carrying out the destructive, multi-proxy sample-based analyses. Usually, routine Multi-Sensor Core Logger (MSCL) measurements of petrophysical parameters (e.g. magnetic susceptibility, density, P-Wave velocity) on un-split sediment cores are the first undertaken while still on-board in the field or back at the laboratory. Less often done, but equally valuable, are continuous X-Ray and CT scan imaging of the same intact archives. Upon splitting, routine granulometry, micro- and macro-fossil and invertebrate identification, total organic / inorganic carbon content (TOC / TIC), amid other analyses take place. The geochronology component is also established usually by AMS 14C on selected organic-rich units, and less common is Optically Stimulated Luminescence (OSL) dating used on the coarser-grained, siliciclastic layers. A relatively new tool used in Luminescence, the Portable OSL Reader, employed to rapidly assess the luminescence signal of untreated poly-mineral samples to assist with targeted field sampling for full OSL dating, was used for the first time in marine sediment cores as a novel petrophysical characterization tool with astonishing results. In this study, two 2 m-long underwater piston sediment cores recovered from 200 m depths on the continental shelf off-southern Israel, were subjected to pulsed-photon stimulation (PPSL) obtaining favourable luminescence signals along their entire lengths. Astoundingly, luminescence signals were obtained on both, already split-opened cores. Both cores depicted the monotonous characteristics of homogeneousness down-core as per most of the results obtained from the non-destructive and destructive tests. One of the cores showed several small higher energy events, including a Mass Transport Deposit (MTD) within its first 10 cm, only fully visible on the CT scan imaging, the PPSL profile and particle size distribution plot. This initial investigation demonstrates the feasibility and usefulness of luminescence profiling as a new sedimentological and petrophysical proxy to better visualize homogeneous yet complex, fine-grained, underwater archives. Moreover, it helps to understand the continuity of the stratigraphy and linearity of deposition of the sediment, besides assisting on the estimation of relative ages provided that good OSL ages are obtained throughout the recovered archive.

Using histograms to introduce randomization in the generation of ensembles of decision trees

DOEpatents

Kamath, Chandrika; Cantu-Paz, Erick; Littau, David

2005-02-22

A system for decision tree ensembles that includes a module to read the data, a module to create a histogram, a module to evaluate a potential split according to some criterion using the histogram, a module to select a split point randomly in an interval around the best split, a module to split the data, and a module to combine multiple decision trees in ensembles. The decision tree method includes the steps of reading the data; creating a histogram; evaluating a potential split according to some criterion using the histogram, selecting a split point randomly in an interval around the best split, splitting the data, and combining multiple decision trees in ensembles.

Optic flow improves adaptability of spatiotemporal characteristics during split-belt locomotor adaptation with tactile stimulation

PubMed Central

Anthony Eikema, Diderik Jan A.; Chien, Jung Hung; Stergiou, Nicholas; Myers, Sara A.; Scott-Pandorf, Melissa M.; Bloomberg, Jacob J.; Mukherjee, Mukul

2015-01-01

Human locomotor adaptation requires feedback and feed-forward control processes to maintain an appropriate walking pattern. Adaptation may require the use of visual and proprioceptive input to decode altered movement dynamics and generate an appropriate response. After a person transfers from an extreme sensory environment and back, as astronauts do when they return from spaceflight, the prolonged period required for re-adaptation can pose a significant burden. In our previous paper, we showed that plantar tactile vibration during a split-belt adaptation task did not interfere with the treadmill adaptation however, larger overground transfer effects with a slower decay resulted. Such effects, in the absence of visual feedback (of motion) and perturbation of tactile feedback, is believed to be due to a higher proprioceptive gain because, in the absence of relevant external dynamic cues such as optic flow, reliance on body-based cues is enhanced during gait tasks through multisensory integration. In this study we therefore investigated the effect of optic flow on tactile stimulated split-belt adaptation as a paradigm to facilitate the sensorimotor adaptation process. Twenty healthy young adults, separated into two matched groups, participated in the study. All participants performed an overground walking trial followed by a split-belt treadmill adaptation protocol. The tactile group (TC) received vibratory plantar tactile stimulation only, whereas the virtual reality and tactile group (VRT) received an additional concurrent visual stimulation: a moving virtual corridor, inducing perceived self-motion. A post-treadmill overground trial was performed to determine adaptation transfer. Interlimb coordination of spatiotemporal and kinetic variables was quantified using symmetry indices, and analyzed using repeated-measures ANOVA. Marked changes of step length characteristics were observed in both groups during split-belt adaptation. Stance and swing time symmetry were similar in the two groups, suggesting that temporal parameters are not modified by optic flow. However, whereas the TC group displayed significant stance time asymmetries during the post-treadmill session, such aftereffects were absent in the VRT group. The results indicated that the enhanced transfer resulting from exposure to plantar cutaneous vibration during adaptation was alleviated by optic flow information. The presence of visual self-motion information may have reduced proprioceptive gain during learning. Thus, during overground walking, the learned proprioceptive split-belt pattern is more rapidly overridden by visual input due to its increased relative gain. The results suggest that when visual stimulation is provided during adaptive training, the system acquires the novel movement dynamics while maintaining the ability to flexibly adapt to different environments. PMID:26525712

Fracture patterns after bilateral sagittal split osteotomy of the mandibular ramus according to the Obwegeser/Dal Pont and Hunsuck/Epker modifications.

PubMed

Möhlhenrich, Stephan Christian; Kniha, Kristian; Peters, Florian; Ayoub, Nassim; Goloborodko, Evgeny; Hölzle, Frank; Fritz, Ulrike; Modabber, Ali

2017-05-01

The aim of this study was to compare the fracture patterns after sagittal split osteotomy according to Obwegeser/Dal Pont (ODP) and Hunsuck/Epker (HE), as well as to investigate the relationship between lateral bone cut ending or angle and the incidence of unfavorable/bad splits. Postoperative cone-beam computed tomograms of 124 splits according to ODP and 60 according to HE were analyzed. ODP led to 75.8% and HE led to 60% lingual fractures with mandibular foramen contact. Horizontal fractures were found in 9.7% and 6.7%, respectively, and unfavorable/bad splits were found in 11.3% and 10%, respectively. The lateral osteotomy angle was 106.22° (SD 12.03)° for bad splits and 106.6° (SD 13.12)° for favorable splits. Correlations were found between favorable fracture patterns and split modifications and between buccal ending of the lateral bone cut and bad splits (p < 0.001). No relationship was observed between split modifications (p = 0.792) or the osteotomy angle (p = 0.937) and the incidence of unfavorable/bad splits. Split modifications had no influence on the incidence of unfavorable/bad splits, but the buccal ending of the lateral bone cut did have an influence. More lingual fractures with mandibular foramen contact are expected with the ODP modification. The osteotomy angle did not differ between favorable and bad splits. Copyright © 2017 European Association for Cranio-Maxillo-Facial Surgery. Published by Elsevier Ltd. All rights reserved.

Clinical application of calculated split renal volume using computed tomography-based renal volumetry after partial nephrectomy: Correlation with technetium-99m dimercaptosuccinic acid renal scan data.

PubMed

Lee, Chan Ho; Park, Young Joo; Ku, Ja Yoon; Ha, Hong Koo

2017-06-01

To evaluate the clinical application of computed tomography-based measurement of renal cortical volume and split renal volume as a single tool to assess the anatomy and renal function in patients with renal tumors before and after partial nephrectomy, and to compare the findings with technetium-99m dimercaptosuccinic acid renal scan. The data of 51 patients with a unilateral renal tumor managed by partial nephrectomy were retrospectively analyzed. The renal cortical volume of tumor-bearing and contralateral kidneys was measured using ImageJ software. Split estimated glomerular filtration rate and split renal volume calculated using this renal cortical volume were compared with the split renal function measured with technetium-99m dimercaptosuccinic acid renal scan. A strong correlation between split renal function and split renal volume of the tumor-bearing kidney was observed before and after surgery (r = 0.89, P < 0.001 and r = 0.94, P < 0.001). The preoperative and postoperative split estimated glomerular filtration rate of the operated kidney showed a moderate correlation with split renal function (r = 0.39, P = 0.004 and r = 0.49, P < 0.001). The correlation between reductions in split renal function and split renal volume of the operated kidney (r = 0.87, P < 0.001) was stronger than that between split renal function and percent reduction in split estimated glomerular filtration rate (r = 0.64, P < 0.001). The split renal volume calculated using computed tomography-based renal volumetry had a strong correlation with the split renal function measured using technetium-99m dimercaptosuccinic acid renal scan. Computed tomography-based split renal volume measurement before and after partial nephrectomy can be used as a single modality for anatomical and functional assessment of the tumor-bearing kidney. © 2017 The Japanese Urological Association.

Optical signal splitting and chirping device modeling

NASA Astrophysics Data System (ADS)

Vinogradova, Irina L.; Andrianova, Anna V.; Meshkov, Ivan K.; Sultanov, Albert Kh.; Abdrakhmanova, Guzel I.; Grakhova, Elizaveta P.; Ishmyarov, Arsen A.; Yantilina, Liliya Z.; Kutlieva, Gulnaz R.

2017-04-01

This article examines the devices for optical signal splitting and chirping device modeling. Models with splitting and switching functions are taken into consideration. The described device for optical signal splitting and chirping represents interferential splitter with profiled mixer which provides allocation of correspondent spectral component from ultra wide band frequency diapason, and signal phase shift for aerial array (AA) directive diagram control. This paper proposes modeling for two types of devices for optical signal splitting and chirping: the interference-type optical signal splitting and chirping device and the long-distance-type optical signal splitting and chirping device.

Fee Splitting among General Practitioners: A Cross-Sectional Study in Iran.

PubMed

Parsa, Mojtaba; Larijani, Bagher; Aramesh, Kiarash; Nedjat, Saharnaz; Fotouhi, Akbar; Yekaninejad, Mir Saeed; Ebrahimian, Nejatollah; Kandi, Mohamad Jafar

2016-12-01

Fee splitting is a process whereby a physician refers a patient to another physician or a healthcare facility and receives a portion of the charge in return. This survey was conducted to study general practitioners' (GPs) attitudes toward fee splitting as well as the prevalence, causes, and consequences of this process. This is a cross-sectional study on 223 general practitioners in 2013. Concerning the causes and consequences of fee splitting, an unpublished qualitative study was conducted by interviewing a number of GPs and specialists and the questionnaire options were the results of the information obtained from this study. Of the total 320 GPs, 247 returned the questionnaires. The response rate was 77.18%. Of the 247 returned questionnaires, 223 fulfilled the inclusion criteria. Among the participants, 69.1% considered fee splitting completely wrong and 23.2% (frequently or rarely) practiced fee splitting. The present study showed that the prevalence of fee splitting among physicians who had positive attitudes toward fee splitting was 4.63 times higher than those who had negative attitudes. In addition, this study showed that, compared to private hospitals, fee splitting is less practiced in public hospitals. The major cause of fee splitting was found to be unrealistic/unfair tariffs and the main consequence of fee splitting was thought to be an increase in the number of unnecessary patient referrals. Fee splitting is an unethical act, contradicts the goals of the medical profession, and undermines patient's best interest. In Iran, there is no code of ethics on fee splitting, but in this study, it was found that the majority of GPs considered it unethical. However, among those who had negative attitudes toward fee splitting, there were physicians who did practice fee splitting. The results of the study showed that physicians who had a positive attitude toward fee splitting practiced it more than others. Therefore, if physicians consider fee splitting unethical, its rate will certainly decrease. The study claims that to decrease such practice, the healthcare system has to revise the tariffs.

Fano-like resonances in split concentric nanoshell dimers in designing negative-index metamaterials for biological-chemical sensing and spectroscopic purposes.

PubMed

Ahmadivand, Arash; Karabiyik, Mustafa; Pala, Nezih

2015-05-01

In this study, we investigated numerically the plasmon response of a dimer configuration composed of a couple of split and concentric Au nanoshells in a complex orientation. We showed that an isolated composition of two concentric split nanoshells could be tailored to support strong plasmon resonant modes in the visible wavelengths. After determining the accurate geometric dimensions for the presented antisymmetric nanostructure, we designed a dimer array that shows complex behavior during exposure to different incident polarizations. We verified that the examined dimer was able to support destructive interference between dark and bright plasmon modes, which resulted in a pronounced Fano-like dip. Observation of a Fano minimum in such a simple molecular orientation of subwavelength particles opens new avenues for employing this structure in designing various practical plasmonic devices. Depositing the final dimer in a strong coupling condition on a semiconductor metasurface and measuring the effective refractive index at certain wavelengths, we demonstrate that each one of dimer units can be considered a meta-atom due to the high aspect ratio in the geometric parameters. Using this method, by extending the number of dimers periodically and illuminating the structure, we examined the isotropic, polarization-dependent, and transmission behavior of the metamaterial configuration. Using numerical methods and calculating the effective refractive indices, we computed and sketched corresponding figure of merit over the transmission window, where the maximum value obtained was 42.3 for Si and 54.6 for gallium phosphide (GaP) substrates.

Water and lipid diffusion MRI using chemical shift displacement-based separation of lipid tissue (SPLIT).

PubMed

Ohno, Naoki; Kan, Hirohito; Miyati, Tosiaki; Aoki, Toshitaka; Ishida, Shota; Gabata, Toshifumi

2017-06-01

To obtain water and lipid diffusion-weighted images (DWIs) simultaneously, we devised a novel method utilizing chemical shift displacement-based separation of lipid tissue (SPLIT) imaging. Single-shot diffusion echo-planar imaging without fat suppression was used and the imaging parameters were optimized to separate water and lipid DWIs by chemical shift displacement of the lipid signals along the phase-encoding direction. Using the optimized conditions, transverse DWIs at the maximum diameter of the right calf were scanned with multiple b-values in five healthy subjects. Then, apparent diffusion coefficients (ADCs) were calculated in the tibialis anterior muscle (TA), tibialis bone marrow (TB), and subcutaneous fat (SF), as well as restricted and perfusion-related diffusion coefficients (D and D*, respectively) and the fraction of the perfusion-related diffusion component (F) for TA. Water and lipid DWIs were separated adequately. The mean ADCs of the TA, TB, and SF were 1.56±0.03mm 2 /s, 0.01±0.01mm 2 /s, and 0.06±0.02mm 2 /s, respectively. The mean D*, D, and F of the TA were 13.7±4.3mm 2 /s, 1.48±0.05mm 2 /s, and 4.3±1.6%, respectively. SPLIT imaging makes it possible to simply and simultaneously obtain water and lipid DWIs without special pulse sequence and increases the amount of diffusion information of water and lipid tissue. Copyright © 2017. Published by Elsevier Inc.

Enabling the extended compact genetic algorithm for real-parameter optimization by using adaptive discretization.

PubMed

Chen, Ying-ping; Chen, Chao-Hong

2010-01-01

An adaptive discretization method, called split-on-demand (SoD), enables estimation of distribution algorithms (EDAs) for discrete variables to solve continuous optimization problems. SoD randomly splits a continuous interval if the number of search points within the interval exceeds a threshold, which is decreased at every iteration. After the split operation, the nonempty intervals are assigned integer codes, and the search points are discretized accordingly. As an example of using SoD with EDAs, the integration of SoD and the extended compact genetic algorithm (ECGA) is presented and numerically examined. In this integration, we adopt a local search mechanism as an optional component of our back end optimization engine. As a result, the proposed framework can be considered as a memetic algorithm, and SoD can potentially be applied to other memetic algorithms. The numerical experiments consist of two parts: (1) a set of benchmark functions on which ECGA with SoD and ECGA with two well-known discretization methods: the fixed-height histogram (FHH) and the fixed-width histogram (FWH) are compared; (2) a real-world application, the economic dispatch problem, on which ECGA with SoD is compared to other methods. The experimental results indicate that SoD is a better discretization method to work with ECGA. Moreover, ECGA with SoD works quite well on the economic dispatch problem and delivers solutions better than the best known results obtained by other methods in existence.

Modulation of magnetism in transition-metal-doped two-dimensional GeS

NASA Astrophysics Data System (ADS)

Zhang, Chunxiao; Yang, Baoyong; Tang, Chao; He, Chaoyu; Li, Jin; Ouyang, Tao; Zhong, Jianxin

2018-06-01

Two-dimensional (2D) germanium monosulfide (GeS) is a promising nanoelectronic material with a desirable band gap, high carrier mobility, and anisotropic structures. In this work, we present a density functional theory study on the magnetism of 3d TM (TM  =  Fe, Co and Ni)-doped 2D GeS. We find that the TM atoms strongly bond to the GeS sheet with quite sizable binding energies due to the sp 3-like hybridization of 2D GeS. The Fe- and Co-doped GeS show nonzero magnetic ground states. Hubbard parameter U hardly affects the magnetic moment when U is no more than 6 eV. In particular, substitutional Fe (Fe@GeS) and substitutional Co (Co@GeS) present high-spin states with 4 μ B and 3 μ B. The magnetism of TM-doped 2D GeS mainly arises from the crystal field splitting and spin exchange splitting of TM-3d orbitals. The magnetic and electronic properties of the Fe@GeS and Co@GeS systems can be easily controlled in a small vertical external electric field (E ext). The underlying mechanism of spin crossover is that E ext affects the crystal field splitting and then shifts the relative positions of 3d orbitals, which tunes the spin configurations. These results render monolayer GeS a promising 2D material for applications in future spintronics.

Fracture toughness of fibrous composite materials

NASA Technical Reports Server (NTRS)

Poe, C. C., Jr.

1984-01-01

Laminates with various proportions of 0 deg, 45 deg, and 90 deg plies were fabricated from T300/5208 and T300/BP-907 graphite/epoxy prepreg tape material. The fracture toughness of each laminate orientation or lay-up was determined by testing center-cracked specimens, and it was also predicted with the general fracture-toughness parameter. The predictions were good except when crack-tip splitting was large, at which time the toughness and strengths tended to be underpredicted. By using predictions, a parametric study was also made of factors that influence fracture toughness. Fiber and matrix properties as well as lay-up were investigated. Without crack-tip splitting, fracture toughness increases in proportion to fiber strength and fiber volume fraction, increases linearly with E(22)/E(11), is largest when the modulus for non-0 deg fibers is greater than that of 0 deg fibers, and is smallest for 0(m)/90(p)(s) lay-ups. (The E(11) and E(22) are Young's moduli of the lamina parallel to and normal to the direction of the fibers, respectively). For a given proportion of 0 deg plies, the most notch-sensitive lay-ups are 0(m)/90(p)(s) and the least sensitive are 0(m)/45(n)(s) and alpha(s). Notch sensitivity increases with the proportion of 0 deg plies and decreases with alpha. Strong, tough matrix materials, which inhibit crack-tip splitting, generally lead to minimum fracture toughness.

Piezosurgery for Sagittal Split Osteotomy: Procedure Duration and Postoperative Sensory Perturbation.

PubMed

Köhnke, Robert; Kolk, Andreas; Kluwe, Lan; Ploder, Oliver

2017-09-01

To evaluate piezosurgery for bilateral sagittal split osteotomy (BSSO) for its duration and inferior alveolar nerve (IAN) perturbation. In this prospective randomized study, the authors evaluated 100 BSSO procedures in 50 patients. Piezoelectric (group I) and conventional (group II) osteotomies were carried out on each side of the mandible of a patient by 2 specialists. The surgeons had at least 1 year of experience using piezosurgery. The period from incision to complete splitting of the mandibular bone was recorded (ie, procedure duration). The intraoperative status (visibility and relocation) of the IAN also was recorded. The neurosensory function of the IAN was measured by the 2-point discrimination threshold and static light touch methods before surgery and postoperatively (1, 3, and 6 weeks and 6 and 12 months). Parameters were compared between the test groups by the paired t, nonparametric Wilcoxon, or χ 2 test. Intergroup comparison showed the mean duration of osteotomy was significantly shorter for group I (17 ± 6 vs 25 ± 9 minutes; P < .001). The rate of intraoperative exposures of the IAN was slightly lower for group I (68%) compared with group II (81%). However, the difference was not relevant. Neurosensory disturbance and recovery of the IAN did not differ between groups. Piezoelectric osteotomy requires considerably less time than conventional mechanical approaches, but shows no advantage in preventing neurosensory perturbation. Copyright © 2017 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

Time series evaluation of an intervention to increase statin tablet splitting by general practitioners.

PubMed

Polinski, Jennifer M; Schneeweiss, Sebastian; Maclure, Malcolm; Marshall, Blair; Ramsden, Samuel; Dormuth, Colin

2011-02-01

Tablet splitting, in which a higher-dose tablet is split to get 2 doses, reduces patients' drug costs. Statins can be split safely. General practitioners (GPs) may not direct their patients to split statins because of safety concerns or unawareness of costs. Medical chart inserts provide cost-effective education to physicians. The aim of this study was to assess whether providing GPs with statin-splitting chart inserts would increase splitting rates, and to identify predictors of splitting. In 2005 and 2006, we faxed a statin chart insert to British Columbia GPs with a request for a telephone interview. Consenting GPs were mailed 3 statin chart inserts and interviewed by phone (the intervention). In an interrupted time series, we compared monthly rates of statin-splitting prescriptions among intervention and nonintervention GPs before, during, and after the intervention. In multivariate logistic regressions accounting for patient clustering, predictors of splitting included physician and patient demographics and the specific statin prescribed. Of 5051 GPs reached, 282 (6%) agreed to the intervention. Before the intervention, GPs' splitting rate was 2.6%; after intervention, GPs' splitting rate was 7.5%. The rate for the nonintervention GPs was 4.4%. Intervention GPs were 1.68 (95% CI, 1.12-2.53) times more likely to prescribe splitting after the intervention than were nonintervention GPs. Other predictors were a patient's female sex (odds ratio [OR] = 1.26; 95% CI, 1.18-1.34), lower patient income (OR = 1.33; 95% CI, 1.18-1.34), and a lack of drug insurance (OR = 1.89; 95% CI, 1.69-2.04). An inexpensive intervention was effective in producing a sustained increase in GPs' splitting rate during 22 months of observed follow-up. Expanding statin-splitting education to all GPs might reduce prescription costs for many patients and payors. Copyright © 2011 Elsevier HS Journals, Inc. All rights reserved.

Time series evaluation of an intervention to increase statin tablet splitting by general practitioners

PubMed Central

Polinski, Jennifer M.; Schneeweiss, Sebastian; Maclure, Malcolm; Marshall, Blair; Ramsden, Samuel; Dormuth, Colin

2011-01-01

Background Tablet splitting, in which a higher-dose tablet is split to get two doses, reduces patients’ drug costs. Statins can be split safely. General practitioners (GPs) may not direct their patients to split statins because of safety concerns or unawareness of costs. Medical chart inserts provide cost-effective education to physicians. We evaluated whether providing GPs with statin splitting chart inserts would increase splitting rates and identified predictors of splitting. Methods In 2005–2006, we faxed a statin chart insert to British Columbia GPs with a request for a telephone interview. Consenting GPs were mailed 3 statin chart inserts and interviewed by phone (the intervention). In an interrupted time series, we compared monthly rates of statin splitting prescriptions among intervention and non-intervention GPs before, during, and after the intervention. In multivariate logistic regressions accounting for patient clustering, predictors of splitting included physician and patient demographics and the specific statin prescribed. Results Of 5,051 GPs reached, 282 (6%) agreed to the intervention. Before the intervention, GPs’ splitting rate was 2.6%; after, intervention GPs’ splitting rate was 7.5%, non-intervention GPs’ was 4.4%. Intervention GPs were 1.68 (95% CI 1.12–2.53) times more likely to prescribe splitting after the intervention than were non-intervention GPs. Other predictors were a patient’s female sex (OR=1.26, 95% CI 1.18–1.34), lower patient income (OR=1.33, 95% CI 1.18–1.34), and no drug insurance (OR=1.89, 95% CI 1.69–2.04). Interpretation An inexpensive intervention was effective in producing a sustained increase in GPs’ splitting rate during 22 months of observed follow-up. Expanding statin splitting education to all GPs could reduce prescription costs for many patients and payors. PMID:21497707

Paraxial propagation of the first-order chirped Airy vortex beams in a chiral medium.

PubMed

Xie, Jintao; Zhang, Jianbin; Ye, Junran; Liu, Haowei; Liang, Zhuoying; Long, Shangjie; Zhou, Kangzhu; Deng, Dongmei

2018-03-05

We introduce the propagation of the first-order chirped Airy vortex beams (FCAiV) in a chiral medium analytically. Results show that the FCAiV beams split into the left circularly polarized vortex (LCPV) beams and the right circularly polarized vortex (RCPV) beams, which have totally different propagation trajectories in the chiral medium. In this paper, we investigate the effects of the first-order chirped parameter β, the chiral parameter γ and the optical vortex on the propagation process of the FCAiV beams. It is shown that the propagation trajectory of the FCAiV beams declines with the chirped parameter increasing. Besides, the increase of the chiral parameter acting on the LCPV beams makes the relative position between the main lobe and the optical vortex further while the effect on the RCPV beams is the opposite. Furthermore, the relative position between the main lobe and the optical vortex contributes to the position of the intensity focusing. Meanwhile, with the chiral parameter increasing, the maximum gradient and scattering forces of the LCPV beams decrease but those of the RCPV beams will increase during the propagation. It is significant that we can control the propagation trajectory, the intensity focusing position and the radiation forces of the FCAiV beams by varying the chirped parameter and the chiral parameter.

Effects of platelet-rich fibrin on healing of intra-bony defects treated with anorganic bovine bone mineral.

PubMed

Sezgin, Yasemin; Uraz, Ahu; Taner, I Levent; Çulhaoğlu, Rana

2017-01-26

Anorganic bovine bone mineral (ABBM) is extensively used in the treatment of intra-bony defects. Platelet-rich fibrin (PRF) is a new-generation platelet concentrate with a simplified technique. Although certain studies have reported the use of PRF in the treatment of intra-bony defects, to date, none of them have evaluated its additive effects with ABBM. Therefore, a randomised, split-mouth clinical trial was conducted to compare healing of intra-bony defects treated with an ABBM-PRF combination with healing of those treated with ABBM alone. By using a split-mouth design, 15 paired intra-bony defects were randomly treated with either ABBM alone (control group) or ABBM-PRF combination (test group). Following clinical parameters and radiographical measurements were recorded at baseline and 6 months after treatment: plaque index (PI), gingival index (GI), probing depth (PD), gingival recession (GR), clinical attachment level (CAL), vertical bone loss, depth of defect and defect angle. Preoperative clinical and radiographical measurements were similar for the test and control groups. Statistically significant reductions in GI, PD, CAL, vertical bone loss, depth of intra-bony defect and widening of defect angle were detected after treatment in both groups. With respect to inter-group analysis, gain in CAL was significantly greater in the test group than in the control group, whereas no inter-group differences were observed in any other parameter. The results of this study indicate that both therapies are effective in the treatment of intra-bony defects.

Families of one-point interactions resulting from the squeezing limit of the sum of two- and three-delta-like potentials

NASA Astrophysics Data System (ADS)

Zolotaryuk, A. V.

2017-06-01

Several families of one-point interactions are derived from the system consisting of two and three δ-potentials which are regularized by piecewise constant functions. In physical terms such an approximating system represents two or three extremely thin layers separated by some distance. The two-scale squeezing of this heterostructure to one point as both the width of δ-approximating functions and the distance between these functions simultaneously tend to zero is studied using the power parameterization through a squeezing parameter \\varepsilon \\to 0 , so that the intensity of each δ-potential is cj =aj \\varepsilon1-μ , aj \\in {R} , j  =  1, 2, 3, the width of each layer l =\\varepsilon and the distance between the layers r = c\\varepsilon^τ , c  >  0. It is shown that at some values of the intensities a 1, a 2 and a 3, the transmission across the limit point potentials is non-zero, whereas outside these (resonance) values the one-point interactions are opaque splitting the system at the point of singularity into two independent subsystems. Within the interval 1 < μ < 2 , the resonance sets consist of two curves on the (a_1, a_2) -plane and three surfaces in the (a_1, a_2, a_3) -space. As the parameter μ approaches the value μ =2 , three types of splitting the one-point interactions into countable families are observed.

Clinical evaluation of subepithelial connective tissue graft and guided tissue regeneration for treatment of Miller’s class 1 gingival recession (comparative, split mouth, six months study)

PubMed Central

Bhavsar, Neeta-V.; Dulani, Kirti; Trivedi, Rahul

2014-01-01

Objectives: The present study aims to clinically compare and evaluate subepithelial connective tissue graft and the GTR based root coverage in treatment of Miller’s Class I gingival recession. Study Design: 30 patients with at least one pair of Miller’s Class I gingival recession were treated either with Subepithelial connective tissue graft (Group A) or Guided tissue regeneration (Group B). Clinical parameters monitored included recession RD, width of keratinized gingiva (KG), probing depth (PD), clinical attachment level (CAL), attached gingiva (AG), residual probing depth (RPD) and % of Root coverage(%RC). Measurements were taken at baseline, three months and six months. A standard surgical procedure was used for both Group A and Group B. Data were recorded and statistical analysis was done for both intergroup and intragroup. Results: At end of six months % RC obtained were 84.47% (Group A) and 81.67% (Group B). Both treatments resulted in statistically significant improvement in clinical parameters. When compared, no statistically significant difference was found between both groups except in RPD, where it was significantly greater in Group A. Conclusions: GTR technique has advantages over subepithelial connective tissue graft for shallow Miller’s Class I defects and this procedure can be used to avoid patient discomfort and reduce treatment time. Key words:Collagen membrane, comparative split mouth study, gingival recession, subepithelial connective tissue graft, guided tissue regeneration (GTR). PMID:25136420

Split-spectrum processing technique for SNR enhancement of ultrasonic guided wave.

PubMed

Pedram, Seyed Kamran; Fateri, Sina; Gan, Lu; Haig, Alex; Thornicroft, Keith

2018-02-01

Ultrasonic guided wave (UGW) systems are broadly used in several branches of industry where the structural integrity is of concern. In those systems, signal interpretation can often be challenging due to the multi-modal and dispersive propagation of UGWs. This results in degradation of the signals in terms of signal-to-noise ratio (SNR) and spatial resolution. This paper employs the split-spectrum processing (SSP) technique in order to enhance the SNR and spatial resolution of UGW signals using the optimized filter bank parameters in real time scenario for pipe inspection. SSP technique has already been developed for other applications such as conventional ultrasonic testing for SNR enhancement. In this work, an investigation is provided to clarify the sensitivity of SSP performance to the filter bank parameter values for UGWs such as processing bandwidth, filter bandwidth, filter separation and a number of filters. As a result, the optimum values are estimated to significantly improve the SNR and spatial resolution of UGWs. The proposed method is synthetically and experimentally compared with conventional approaches employing different SSP recombination algorithms. The Polarity Thresholding (PT) and PT with Minimization (PTM) algorithms were found to be the best recombination algorithms. They substantially improved the SNR up to 36.9dB and 38.9dB respectively. The outcome of the work presented in this paper paves the way to enhance the reliability of UGW inspections. Copyright © 2017 Elsevier B.V. All rights reserved.

Line Parameters of Ethane (12C_2H_6) at 12 μm with Constrained Multispectrum Fitting

NASA Astrophysics Data System (ADS)

Devi, V. Malathy; Benner, D. Chris; Rinsland, C. P.; Smith, M. A. H.; Sams, R. L.; Blake, T. A.; Flaud, J.-M.; Sung, K.; Brown, L. R.; Mantz, A. W.

2010-06-01

A multispectrum nonlinear least squares technique was applied to simultaneously fit 43 infrared absorption spectra of C_2H_6 between 795 and 850 cm-1. The high resolution (0.0016-0.005 cm-1) spectra were recorded with two different Bruker Fourier transform spectrometers at PNNL and JPL to support Earth and planetary atmosphere studies, e.g. Titan's cold stratosphere. Accurate line positions and absolute intensities at room temperature were retrieved for over 1750 transitions of ν_9. N_2- and self-broadened halfwidth coefficients with their temperature dependences were obtained for over 1330 lines using sample temperatures between ˜150 and 298 K. Constraints to intensity ratios, torsional splittings, halfwidth coefficients and their temperature dependence exponents were incorporated in the analysis to determine these parameters for both torsional split components. The variations of the observed halfwidth coefficients and their temperature dependences with respect to J, K quanta are discussed. No pressure-induced shifts were measured or even required to fit the spectra to their noise levels. Present results are compared with previously reported measurements and predictions. D. Chris Benner, C. P. Rinsland, V. M. Devi, M. A. H. Smith, and D. A. Atkins, JQSRT 1995;53:705-21. Part of the research described in this paper was performed at the Jet Propulsion Laboratory, California Institute of Technology, the College of William and Mary, Connecticut College, and NASA Langley Research Center under contracts and cooperative agreements with the National Aeronautics and Space Administration.

Imaging Anisotropic Layering with Bayesian Inversion of Multiple Data Types

NASA Astrophysics Data System (ADS)

Bodin, T.; Leiva, J.; Romanowicz, B. A.; Maupin, V.; Yuan, H.

2015-12-01

Anisotropic images of the upper-mantle are usually obtained by analyzing different types of seismic observables, such as surface wave dispersion curves or waveforms, SKS splitting data, or receiver functions. These different data types sample different volumes of the earth, they are sensitive to separate length-scales, and hence are associated with various levels of uncertainties. They are traditionally interpreted separately, and often result in incompatible models. We present a Bayesian inversion approach to jointly invert these different data types. Seismograms for SKS and P phases are directly inverted, thus avoiding intermediate processing steps such as numerical deconvolution or computation of splitting parameters. Probabilistic 1D profiles are obtained with a transdimensional Markov chain Monte Carlo scheme, in which the number of layers, as well as the presence or absence of anisotropy in each layer, are treated as unknown parameters. In this way, seismic anisotropy is only introduced if required by the data. The algorithm is used to resolve both isotropic and anisotropic layering down to a depth of 350 km beneath two seismic stations in North America in two different tectonic settings: the stable Canadian shield (station FFC), and the tectonically active southern Basin and Range Province (station TA-214A). In both cases, the lithosphere-asthenosphere boundary is clearly visible, and marked by a change in direction of the fast axis of anisotropy. Our study confirms that azimuthal anisotropy is a powerful tool for detecting layering in the upper mantle.