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Sample records for superexchange coupling interaction

  1. Understanding the charge transport and polarities in organic donor-acceptor mixed-stack crystals: molecular insights from the super-exchange couplings.

    Science.gov (United States)

    Geng, Hua; Zheng, Xiaoyan; Shuai, Zhigang; Zhu, Lingyun; Yi, Yuanping

    2015-02-25

    Charge transport and polarity in organic D-A mixed-stack crystals are examined in terms of super-exchange electronic couplings. When the super-exchange coupling is dominated by the interaction between donor HOMO and acceptor LUMO, ambipolar transport is achieved. Otherwise, involvement of other bridge orbitals can lead to unbalanced, even to unipolar transport in a special case that the HOMO-LUMO interaction vanishes.

  2. The superexchange interactions in mixed Co-Fe ludwigite

    Energy Technology Data Exchange (ETDEWEB)

    Kazak, N.V., E-mail: nat@iph.krasn.r [L.V. Kirensky Institute of Physics, SB of RAS, 660036, Akademgorodok 50-38, Krasnoyarsk (Russian Federation); Ivanova, N.B. [Siberian Federal University, 660074, Kirensky str. 26, Krasnoyarsk (Russian Federation); Krasnoyarsk State Agrarian University, 660049, Mira str. 90, Krasnoyarsk (Russian Federation); Bayukov, O.A; Ovchinnikov, S.G [L.V. Kirensky Institute of Physics, SB of RAS, 660036, Akademgorodok 50-38, Krasnoyarsk (Russian Federation); Vasiliev, A.D. [L.V. Kirensky Institute of Physics, SB of RAS, 660036, Akademgorodok 50-38, Krasnoyarsk (Russian Federation); Siberian Federal University, 660074, Kirensky str. 26, Krasnoyarsk (Russian Federation); Rudenko, V.V. [L.V. Kirensky Institute of Physics, SB of RAS, 660036, Akademgorodok 50-38, Krasnoyarsk (Russian Federation); Bartolome, J. [Instituto de Ciencia de Materiales de Aragon. CSIC-Universidad de Zaragoza abd Departamento de Fisica de la Materia Condensada, 50009 Zaragoza (Spain); Arauzo, A. [Servicio de Instrumentacion Cientifica-Area de Medidas Fisicas. Universidad de Zaragoza, Pedro Cerbuna 12, 50009 Zaragoza (Spain); Knyazev, Yu.V. [Siberian Federal University, 660074, Kirensky str. 26, Krasnoyarsk (Russian Federation)

    2011-03-15

    The crystal structure, cation distribution and exchange interactions in the Co{sub 2.25}Fe{sub 0.75}O{sub 2}BO{sub 3} ludwigite have been explored through X-ray diffraction, electrical resistivity, ac-susceptibility and Mossbauer effect measurements. The crystal data have shown that iron atoms occupy the most symmetric crystallographic sites Fe4 and Fe2. The complex magnetic behavior with two magnetic transitions near 70 and 115 K at low temperatures was found. The Mossbauer data have displayed the trivalent iron states only. The values of superexchange energies have been estimated for Co{sub 3}O{sub 2}BO{sub 3} and Co{sub 2.25}Fe{sub 0.75}O{sub 2}BO{sub 3} yielding a significant role of frustrations in the ludwigite magnetic system. Variable range Mott hopping conductivity law was proved to be valid in the wide temperature region, pointing out a localized character of charge carriers rather than collective. - Research Highlights: The high quality single crystals of Co{sub 2.25}Fe{sub 0.75}O{sub 2}BO{sub 3} ludwigite were synthesized. The orthorhombic crystal symmetry with P{sub bam} space group was found. The Fe{sup 3+} ions predominantly occupy the octahedral positions 2 and 4. The complex magnetic behavior and magnetic transitions at 70 and 115 K were found. The values of superexchange energies have been estimated.

  3. [Combined hopping-superexchange mechanism of charge transfer in DNA; a model with nearest interactions].

    Science.gov (United States)

    Lakhno, V D; Sultanov, V B

    2007-01-01

    In the framework of the earlier developed combined hopping-superexchange mechanism of charge transfer in DNA, a model with all nearest interactions between nucleobases is proposed. It is shown that the transfer rates for various types of nucleotide sequences calculated within this model are in a good agreement with experimental data.

  4. Superexchange coupling and electron transfer in globular proteins via polaron excitations.

    Science.gov (United States)

    Chuev, G N; Lakhno, V D; Ustitnin, M N

    2000-06-01

    The polaron approach is used to treat long-range electron transfersbetween globular proteins. A rate expression for the polaron transfer model is given along with a description of appropriate conditions forits use. Assuming that electrons transfer via a superexchange couplingdue to a polaron excitation, we have estimated the distance dependenceof the rate constant for the self-exchange reactions between globularproteins in solutions. The distance dependence of the polaron coupling andsolvent reorganization energy are provided as a basis forunderstanding and interpreting a long-range electron transfer experiment.The difficulties and problems of the polaron treatment of long-rangeelectron transfers are discussed, and suggestions for new experimentsare made.

  5. Probing the magnetic superexchange couplings between terminal CuII ions in heterotrinuclear bis(oxamidato type complexes

    Directory of Open Access Journals (Sweden)

    Mohammad A. Abdulmalic

    2017-04-01

    Full Text Available The reaction of one equivalent of [n-Bu4N]2[Ni(opboR2] with two equivalents of [Cu(pmdta(X2] afforded the heterotrinuclear CuIINiIICuII containing bis(oxamidato type complexes [Cu2Ni(opboR2(pmdta2]X2 (R = Me, X = NO3– (1; R = Et, X = ClO4– (2; R = n-Pr, X = NO3– (3; opboR2 = o-phenylenebis(NR-substituted oxamidato; pmdta = N,N,N’,N”,N”-pentamethyldiethylenetriamine. The identities of the heterotrinuclear complexes 1–3 were established by IR spectroscopy, elemental analysis and single-crystal X-ray diffraction studies, which revealed the cationic complex fragments [Cu2Ni(opboR2(pmdta2]2+ as not involved in any further intermolecular interactions. As a consequence thereof, the complexes 1–3 possess terminal paramagnetic [Cu(pmdta]2+ fragments separated by [NiII(opboR2]2– bridging units representing diamagnetic SNi = 0 states. The magnetic field dependence of the magnetization M(H of 1–3 at T = 1.8 K has been determined and is shown to be highly reproducible with the Brillouin function for an ideal paramagnetic spin = 1/2 system, verifying experimentally that no magnetic superexchange couplings exists between the terminal paramagnetic [Cu(pmdta]2+ fragments. Susceptibility measurements versus temperature of 1–3 between 1.8–300 K were performed to reinforce the statement of the absence of magnetic superexchange couplings in these three heterotrinuclear complexes.

  6. Mössbauer studies on cation distributions and superexchange interactions in Cu0.2Fe2.8O4

    Science.gov (United States)

    Kim, Sam Jin; Choi, Hyunkyung; Lim, Jung Tae; Kim, Chul Sung; Hahn, Eun Joo

    2016-02-01

    The cation distributions and the superexchange interactions of Cu0.2Fe2.8O4 have been studied by Mössbauer spectroscopy and X-ray diffraction. The crystal is found to have a cubic spinel structure with the lattice constant a 0 = 8.4007 ± 0.0004 ˚A. The Mössbauer spectra show line broadening in the octahedral ( B) site, which is interpreted by probability distribution of cations. The dominant superexchange interaction is found to be an antiferromagnetic intersublattice A- O- B superexchange interaction, and its strength is J A- B = -20.7 k B . The intrasublattice A- O- A superexchange interaction is also antiferromagnetic and its strength is J A- A = -9.3 k B . The weakest superexchange interaction is the ferromagnetic B-O-B interaction: J B- B = 0.7 k B . The Debye temperatures of the tetrahedral and the octahedral sites are found to be Θ A = 459 ± 5 K and Θ B = 351 ± 5 K, respectively.

  7. Single-molecule magnet behavior for an antiferromagnetically superexchange-coupled dinuclear dysprosium(III) complex.

    Science.gov (United States)

    Long, Jérôme; Habib, Fatemah; Lin, Po-Heng; Korobkov, Ilia; Enright, Gary; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F; Murugesu, Muralee

    2011-04-13

    A family of five dinuclear lanthanide complexes has been synthesized with general formula [Ln(III)(2)(valdien)(2)(NO(3))(2)] where (H(2)valdien = N1,N3-bis(3-methoxysalicylidene)diethylenetriamine) and Ln(III) = Eu(III)1, Gd(III)2, Tb(III)3, Dy(III)4, and Ho(III)5. The magnetic investigations reveal that 4 exhibits single-molecule magnet (SMM) behavior with an anisotropic barrier U(eff) = 76 K. The step-like features in the hysteresis loops observed for 4 reveal an antiferromagnetic exchange coupling between the two dysprosium ions. Ab initio calculations confirm the weak antiferromagnetic interaction with an exchange constant J(Dy-Dy) = -0.21 cm(-1). The observed steps in the hysteresis loops correspond to a weakly coupled system similar to exchange-biased SMMs. The Dy(2) complex is an ideal candidate for the elucidation of slow relaxation of the magnetization mechanism seen in lanthanide systems.

  8. Pressure effect on the energy structure and superexchange interaction in undoped orthorhombic La2CuO4

    Science.gov (United States)

    Gavrichkov, Vladimir A.; Pchelkina, Zlata V.; Nekrasov, Igor A.; Ovchinnikov, Sergey G.

    2016-09-01

    We studied the pressure dependences of the electronic structure and superexchange interaction J(P) = JA - JB (where JA and JB are antiferromagnetic (AFM) and ferromagnetic (FM) contributions) in antiferromagnetic La214 under hydrostatic, uniaxial (along c-axial) 3% compressions and 1% in-plane compressions by the local density approximation with generalized tight-binding method (LDA + GTB cell approach). The changes in J(P) correlated with the experimentally known TC(P) dependence are in accordance with the relation dTC/dP = (∂TC/∂J)(∂J/∂P), where ∂TC/∂J ˜ 0.1. The in-plane pressure more effectively stabilizes the ground singlet two-hole state A1 than the simple hydrostatic pressure, its effect on J and TC is the largest. Within the same cell approach together with the superexchange interaction J(P), the valence band structure was calculated. Its changes with pressure clearly reproduce the k-distribution of the singlet and triplet quasi-particles over the Brillouin zone (BZ).

  9. Doubly TEMPO-coordinated gadolinium(III), lanthanum(III), and yttrium(III) complexes. Strong superexchange coupling across rare earth ions.

    Science.gov (United States)

    Murakami, Rina; Nakamura, Takeshi; Ishida, Takayuki

    2014-04-21

    We prepared crystalline [RE(III)(hfac)3(TEMPO)2] (RE = Gd, La, Y), where TEMPO and hfac stand for 2,2,6,6-tetramethylpiperidin-1-oxyl and 1,1,1,5,5,5-hexafluoropentane-2,4-dionate, respectively. The X-ray crystal structure of TEMPO-coordinated RE compounds was determined for the first time. The Gd and Y analogues are isomorphous, and the La derivative has a similar molecular skeleton. The Gd-O(TEMPO) bond lengths were 2.322(3) and 2.354(3) Å with the O-Gd-O angle of 140.36(11)°. The magnetic study clarified that [Gd(hfac)3(TEMPO)2] behaved as a ground Stotal = 7/2 species. The La and Y analogues showed the superexchange interactions across the diamagnetic ions with 2JTEMPO1-TEMPO2/kB = -14.9(1) and -49.8(2) K, respectively. Assuming the presence of a similar interaction like the Y derivative, the Gd-TEMPO exchange couplings are estimated with 2JGd-TEMPO/kB = -12.9(5) and +8.0(6) K.

  10. Effect of super-exchange interaction on ground state magnetic properties of spin-dependent Falicov-Kimball model on a triangular lattice

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Sant, E-mail: santkumar1210@gmail.com; Maitra, Tulika; Singh, Ishwar [Department of Physics, Indian Institute of Technology Roorkee, Roorkee-247667, Uttarakhand (India); Yadav, Umesh K. [Center for Condensed Matter Theory, Indian Institute of Science, Bangalore-560012 (India)

    2015-06-24

    Ground state magnetic properties are studied by incorporating the super-exchange interaction (J{sub se}) in the spin-dependent Falicov-Kimball model (FKM) between localized (f-) electrons on a triangular lattice for half filled case. Numerical diagonalization and Monte-Carlo simulation are used to study the ground state magnetic properties. We have found that the magnetic moment of (d-) and (f-) electrons strongly depend on the value of Hund’s exchange (J), super-exchange interaction (J{sub se}) and also depends on the number of (d-) electrons (N{sub d}). The ground state changes from antiferromagnetic (AFM) to ferromagnetic (FM) state as we decrease (N{sub d}). Also the density of d electrons at each site depends on the value of J and J{sub se}.

  11. Effect of super-exchange interaction on ground state magnetic properties of spin-dependent Falicov-Kimball model on a triangular lattice

    Science.gov (United States)

    Kumar, Sant; Yadav, Umesh K.; Maitra, Tulika; Singh, Ishwar

    2015-06-01

    Ground state magnetic properties are studied by incorporating the super-exchange interaction (Jse) in the spin-dependent Falicov-Kimball model (FKM) between localized (f-) electrons on a triangular lattice for half filled case. Numerical diagonalization and Monte-Carlo simulation are used to study the ground state magnetic properties. We have found that the magnetic moment of (d-) and (f-) electrons strongly depend on the value of Hund's exchange (J), super-exchange interaction (Jse) and also depends on the number of (d-) electrons (Nd). The ground state changes from antiferromagnetic (AFM) to ferromagnetic (FM) state as we decrease (Nd). Also the density of d electrons at each site depends on the value of J and Jse.

  12. The symmetric and antisymmetric superexchange interactions in spin-Peierls system

    Institute of Scientific and Technical Information of China (English)

    Liu Hai-Lian; Wang Zhi-Guo; Yang Cheng-Quan; Huang Xian-Shan; Shi Yun-Long

    2007-01-01

    The influences of Dzyaloshinskii-Moriya (DM) interaction and Kaplan-Shekhtman-Entinwohlman-Aharony (KSEA) interaction on the dimerization of a spin-Peierls system are investigated theoretically by using the Lanczos numerical method. The ground state of the spin-Peierls system is still dimerized phase when both of the DM and the KSEA interactions have the same value with Heisenberg interaction. It is found that the KSEA interaction and uniform DM interaction are always against systemic dimerization, but the staggered DM interaction acts in favour of dimerization. Furthermore, the influences of the DM and the KSEA interactions are also studied in terms of the ground state index rate and the energy gap index rate of the dimerized Heisenberg system. The results show that the DM interaction makes the index rates larger, while the KSEA interaction makes them smaller.

  13. Tuning interaction in dinuclear ruthenium complexes : HOMO versus LUMO mediated superexchange through azole and azine bridges

    NARCIS (Netherlands)

    Browne, Wesley; Hage, R; Vos, Johannes G.

    2006-01-01

    In this review the interaction between metal centers in dinuclear complexes based on azole and azine containing bridging ligands is reviewed. The focus of the review is on the manner in which the interaction pathway can be manipulated by variations in the nature of both the direct bridging unit and

  14. Superexchange interaction enhancement of the quantum transport in a DNA-type molecule

    Institute of Scientific and Technical Information of China (English)

    Wang Rui; Zhang Cun-Xi; Zhou Yun-Qing; Kong Ling-Min

    2011-01-01

    We use the transfer matrix method and the Green function technique to theoretically study the quantum tunnelling through a DNA-type molecule.Ferromagnetic electrodes are used to produce the spin-polarized transmission probability and therefore the spin current.The distance-dependent crossover comes from the topological variation from the onedimensional to the two-dimensional model transform as we switch on the interstrand coupling; a new base pair will present N - 1 extrachannels for the charge and spin as N being the total base pairs.This will restrain the decay of the transmission and improve the stability of the quantum transport.The spin and charge transfer through the DNA-type molecule is consistent with the quantum tunneling barrier.

  15. Superexchange-Driven Magnetoelectricity in Magnetic Vortices

    NARCIS (Netherlands)

    Delaney, Kris T.; Mostovoy, Maxim; Spaldin, Nicola A.

    2009-01-01

    We demonstrate that magnetic vortices in which spins are coupled to polar lattice distortions via superexchange exhibit an unusually large linear magnetoelectric response. We show that the periodic arrays of vortices formed by frustrated spins on kagome lattices provide a realization of this concept

  16. Influence of polaron effects on superexchange interaction. Isotopic shifts of T sub N , T sub c and T* in laminated copper oxides

    CERN Document Server

    Eremin, M V; Larionov, I A; Terzi, A V

    2002-01-01

    The compact formula for the parameter for the magnetic ions superexchange interaction through intermediate anions with an account of the polaron effects both on the magnetic ions and intermediate anions is obtained. It is applied for the analysis of the basic peculiarities of these types of temperature in the layered cuprates on the HTSC basis: the Neel temperature (T sub N), critical temperatures of the transition into the superconducting state (T sub c) and characteristic temperatures of the normal phases pseudogap state (T*). The calculations are based on the scenario of competition of the superconducting phase with the charge-current waves phase. The agreement of the calculation with the experiment testifies to the benefit of the above scenario

  17. Magnetism in Ca2CoOsO6 and Ca2NiOsO6: Unraveling the mystery of superexchange interactions between 3d and 5d ions

    Energy Technology Data Exchange (ETDEWEB)

    Morrow, Ryan C.; Samanta, Kartik; Dasgupta, Tanusri Saha; Xiong, Jie; Freeland, John W.; Haskel, Daniel; Woodward, Patrick

    2016-06-14

    In order to rationalize and predict the behavior of compounds containing 5d transition metal ions, an understanding of the local moments and superexchange interactions from which their magnetic properties are derived is necessary. The magnetic and electrical properties of the ferrimagnetic double perovskites Ca2CoOsO6 and Ca2NiOsO6 studied here provide critical insight toward that goal. First-principles density functional theory (DFT) calculations indicate, and experimental measurements confirm, that the Os(VI) moments are directed antiparallel to the Co/Ni moments. X-ray magnetic circular dichroism (XMCD) measurements reveal that the orbital moment on osmium has a magnitude that is approximately 30% of the spin moment, and the two contributions oppose each other. Both the size and direction of the orbital moment are confirmed by the DFT calculations. The size of the Os(VI) total moment is predicted to be 0.6-0.7 μB by DFT calculations. The ferrimagnetic ground state is stabilized by strong antiferromagnetic coupling between the d2 Os(VI) ion and the d8/d7 Ni(II)/Co(II) ion. Not only does the observation of antiferromagnetic coupling violate the Goodenough-Kanamori rules, but also it is unusual in that it becomes stronger as the Os-O-Co/Ni bond angle decreases. This unusual behavior is shown to arise predominantly from coupling between Os t2g orbitals and Ni/Co eg orbitals, mediated by the intervening oxide ion. We further find that both compounds are spin-orbit assisted Mott insulators.

  18. Validity and limitations of the superexchange model for the magnetic properties of Sr2IrO4 and Ba2IrO4 mediated by the strong spin-orbit coupling

    Science.gov (United States)

    Solovyev, I. V.; Mazurenko, V. V.; Katanin, A. A.

    2015-12-01

    Layered perovskites Sr2IrO4 and Ba2IrO4 are regarded as the key materials for understanding the properties of magnetic relativistic insulators, mediated by the strong spin-orbit (SO) coupling. One of the most fundamental issues is to which extent these properties can be described by the superexchange (SE) model, formulated in the limit of the large Coulomb repulsion for some appropriately selected pseudospin states, and whether these materials themselves can be classified as Mott insulators. In this work, we address these issues by deriving the relevant models and extracting parameters of these models from the electronic-structure calculations with the SO coupling, based on the density functional theory. First, we construct the effective Hubbard-type model for the magnetically active t2 g bands, by recasting the problem in the language of localized Wannier orbitals. Then, we map the obtained electron model onto the pseudospin model by applying the theory of SE interactions, which is based on the second-order perturbation theory with respect to the transfer integrals. We discuss the microscopic origin of anisotropic SE interactions, inherent to the compass Heisenberg model, and the appearance of the antisymmetric Dzyaloshinskii-Moriya term, associated with the additional rotation of the IrO6 octahedra in Sr2IrO4 . In order to solve the pseudospin Hamiltonian problem and evaluate the Néel temperature (TN), we employ the nonlinear sigma model. We have found that, while for Sr2IrO4 our value of TN agrees with the experimental data, for Ba2IrO4 it is overestimated by a factor of 2. We argue that this discrepancy is related to limitations of the SE model: while for more localized t2 g states in Sr2IrO4 it works reasonably well, the higher-order terms in the perturbation theory expansion play a more important role in the more "itinerant" Ba2IrO4 , giving rise to the new type of isotropic and anisotropic exchange interactions, which are not captured by the SE model. This

  19. The magnetic structures of double tungstates, NaM(WO{sub 4}){sub 2}, M=Fe, Cr: Examples for superexchange couplings mediated by [NaO{sub 6}]-octahedra

    Energy Technology Data Exchange (ETDEWEB)

    Nyam-Ochir, L. [School of Physics and Electronics, National University of Mongolia, 210646 Ulaanbaatar (Mongolia); Institute for Materials Science, Darmstadt University of Technology, D-64287 Darmstadt (Germany); Ehrenberg, H. [Institute for Materials Science, Darmstadt University of Technology, D-64287 Darmstadt (Germany); Institute for Complex Materials, IFW Dresden, Helmholtzstr. 20, D-01069 Dresden (Germany)], E-mail: h.ehrenberg@ifw-dresden.de; Buchsteiner, A. [Hahn Meitner Institute Berlin, D-14092 Berlin (Germany); Senyshyn, A.; Fuess, H. [Institute for Materials Science, Darmstadt University of Technology, D-64287 Darmstadt (Germany); Sangaa, D. [School of Physics and Electronics, National University of Mongolia, 210646 Ulaanbaatar (Mongolia)

    2008-12-15

    The crystal structures of the double tungstates NaM(WO{sub 4}){sub 2} with M=Fe, Cr and their solid solution are similar to the wolframite-type structure in the space group P2/c, but with doubled a lattice parameter. Magnetization and neutron-diffraction data reveal that NaFe(WO{sub 4}){sub 2} orders antiferromagnetically below 5 K with a commensurate propagation vector k=(1/2 ,1/2 ,1/2 ) and magnetic moments of Fe{sup 3+} ions oriented along the a-axis. NaCr(WO{sub 4}){sub 2} is antiferromagnetic below 10 K. Its magnetic structure is based on the propagation vector k=(1/2 ,1/2 ,0), and the magnetic moments of Cr{sup 3+} ions are aligned along the b-axis. The magnetic structure in the bc-plane is explained by a supersuperexchange mechanism. Long-range magnetic superexchange interactions along paths including [NaO{sub 6}]-octahedra are necessary to explain the observed magnetic structures. Mixed NaFe{sub x}Cr{sub 1-x}(WO{sub 4}){sub 2}, with x=0.25, 0.5, 0.75, do not indicate magnetic order, neither in magnetization nor neutron-diffraction data.

  20. Monte Carlo study of the double and super-exchange model with lattice distortion

    Energy Technology Data Exchange (ETDEWEB)

    Suarez, J R; Vallejo, E; Navarro, O [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-360, 04510 Mexico D. F. (Mexico); Avignon, M, E-mail: jrsuarez@iim.unam.m [Institut Neel, Centre National de la Recherche Scientifique (CNRS) and Universite Joseph Fourier, BP 166, 38042 Grenoble Cedex 9 (France)

    2009-05-01

    In this work a magneto-elastic phase transition was obtained in a linear chain due to the interplay between magnetism and lattice distortion in a double and super-exchange model. It is considered a linear chain consisting of localized classical spins interacting with itinerant electrons. Due to the double exchange interaction, localized spins tend to align ferromagnetically. This ferromagnetic tendency is expected to be frustrated by anti-ferromagnetic super-exchange interactions between neighbor localized spins. Additionally, lattice parameter is allowed to have small changes, which contributes harmonically to the energy of the system. Phase diagram is obtained as a function of the electron density and the super-exchange interaction using a Monte Carlo minimization. At low super-exchange interaction energy phase transition between electron-full ferromagnetic distorted and electron-empty anti-ferromagnetic undistorted phases occurs. In this case all electrons and lattice distortions were found within the ferromagnetic domain. For high super-exchange interaction energy, phase transition between two site distorted periodic arrangement of independent magnetic polarons ordered anti-ferromagnetically and the electron-empty anti-ferromagnetic undistorted phase was found. For this high interaction energy, Wigner crystallization, lattice distortion and charge distribution inside two-site polarons were obtained.

  1. Double spin-glass-like behavior and antiferromagnetic superexchange interaction between Fe3+ ions in α-Ga2-xFexO3 (0 ≤ x ≤ 0.4)

    Science.gov (United States)

    Lv, Yi-Fei; Xiang, Jian-Yong; Wen, Fu-Sheng; Lv, Wei-Ming; Hu, Wen-Tao; Liu, Zhong-Yuan

    2015-03-01

    Single phase of Fe3+-doped α-Ga2-xFexO3 (α-GFxO, x = 0.1, 0.2, 0.3, 0.4) is synthesized by treating the β-Ga2-xFexO3 (β-GFxO) precursors at high temperatures and high pressures. Rietveld refinements of the X-ray diffraction data show that the lattice constants increase monotonically with the increase of Fe3+ content. Calorimetric measurements show that the temperature of the phase transition from α-GFxO to β-GFxO increases, while the associated enthalpy change decreases upon increasing Fe3+ content. The optical energy gap deduced from the reflectance measurement is found to decrease monotonically with the increase in Fe3+ content. From the measurements of magnetic field-dependent magnetization and temperature-dependent inverse molar susceptibility, we find that the superexchange interaction between Fe3+ ions is antiferromagnetic. Remnant magnetization is observed in the Fe3+-doped α-GFxO and is attributed to the spin glass in the magnetic sublattice. At high Fe3+ doping level (x = 0.4), two evident peaks are observed in the image part of the AC susceptibility . The frequency dependence in intensity of these two peaks as well as two spin freezing temperatures observed in the DC magnetization measurements of α-GF0.4O is suggested to be the behavior of two spin glasses. Project supported by the National Basic Research Program of China (Grant No. 2010CB731605), the National Science Fund for Distinguished Young Scholars of China (Grant No. 51025103), the National Natural Science Foundation of China (Grant Nos. 51172198 and 51102206), the Natural Science Foundation of Hebei Province, China (Grant No. E2014203144), the Science Foundation for the Excellent Youth Scholars from Universities and Colleges of Hebei Province, China (Grant No. YQ2014009), and the Research Program of the College Science & Technology of Hebei Province, China (Grant No. QN2014047).

  2. Photoinduced electron transfer across molecular bridges: electron- and hole-transfer superexchange pathways.

    Science.gov (United States)

    Natali, Mirco; Campagna, Sebastiano; Scandola, Franco

    2014-06-21

    Photoinduced electron transfer plays key roles in many areas of chemistry. Superexchange is an effective model to rationalize photoinduced electron transfer, particularly when molecular bridges between donor and acceptor subunits are present. In this tutorial review we discuss, within a superexchange framework, the complex role played by the bridge, with an emphasis on differences between thermal and photoinduced electron transfer, oxidative and reductive photoinduced processes, charge separation and charge recombination. Modular bridges are also considered, with specific attention to the distance dependence of donor-acceptor electronic coupling and electron transfer rate constants. The possibility of transition, depending on the bridge energetics, from coherent donor-acceptor electron transfer to incoherent charge injection and hopping through the bridge is also discussed. Finally, conceptual analogies between bridge effects in photoinduced electron transfer and optical intervalence transfer are outlined. Selected experimental examples, instrumental to illustration of the principles, are discussed.

  3. Quantum treatment of the Anderson–Hasegawa model in the presence of superexchange

    Indian Academy of Sciences (India)

    P A Sreeram; Manidipa Mitra; Sushanta Dattagupta

    2003-09-01

    We revisit the Anderson–Hasegawa double-exchange model and critically examine its exact solution when the core spins are treated quantum mechanically. We show that the quantum effects, in the presence of an additional superexchange interaction between the core spins, yield a term, the significance of which has been hitherto ignored. The importance of this term is further assessed by numerically exact computation for a four-spin system.

  4. Spin-orbit coupling and magnetic interactions in Si(111):{C,Si,Sn,Pb}

    Science.gov (United States)

    Badrtdinov, D. I.; Nikolaev, S. A.; Katsnelson, M. I.; Mazurenko, V. V.

    2016-12-01

    We study the magnetic properties of the adatom systems on a semiconductor surface Si(111):{C,Si,Sn,Pb}-(√{3 }×√{3 }) . On the basis of all-electron density functional theory calculations we construct effective low-energy models taking into account spin-orbit coupling and electronic correlations. The Hartree-Fock simulations for the unit cell with nine correlated orbitals put forward insulating ground states with the noncollinear 120∘-Néel (for C, Si, Sn monolayer coverages) and 120∘-row-wise (for Pb adatom) antiferromagnetic orderings. The corresponding spin Hamiltonians with anisotropic exchange interactions are derived by means of the superexchange theory and the calculated Dzyaloshinskii-Moriya interactions in the systems with Sn and Pb adatoms are revealed to be very strong and compatible with the isotropic exchange couplings. To simulate the excited magnetic states we solve the constructed spin models by means of the Monte Carlo method, where at low temperatures and zero magnetic field we observe complex spin spiral patterns in Sn/Si(111) and Pb/Si(111). On this basis the formation of antiferromagnetic skyrmion lattice states at high magnetic fields in the adatom s p electron systems is discussed.

  5. Interactive optomechanical coupling with nonlinear polaritonic systems

    CERN Document Server

    Bobrovska, N; Liew, T C H; Kyriienko, O

    2016-01-01

    We study a system of interacting matter quasiparticles strongly coupled to photons inside an optomechanical cavity. The resulting normal modes of the system are represented by hybrid polaritonic quasiparticles, which acquire effective nonlinearity. Its strength is influenced by the presence of the mechanical mode and depends on the resonance frequency of the cavity. This leads to an interactive type of optomechanical coupling, being distinct from the previously studied dispersive and dissipative couplings in optomechanical systems. The emergent interactive coupling is shown to generate effective optical nonlinearity terms of high order, being quartic in the polariton number. We consider particular systems of exciton-polaritons and dipolaritons, and show that the induced effective optical nonlinearity due to the interactive coupling can exceed in magnitude the strength of Kerr nonlinear terms, such as those arising from polariton-polariton interactions. As applications, we show that the higher order terms give...

  6. Charge Transport by Superexchange in Molecular Host-Guest Systems

    Science.gov (United States)

    Symalla, Franz; Friederich, Pascal; Massé, Andrea; Meded, Velimir; Coehoorn, Reinder; Bobbert, Peter; Wenzel, Wolfgang

    2016-12-01

    Charge transport in disordered organic semiconductors is generally described as a result of incoherent hopping between localized states. In this work, we focus on multicomponent emissive host-guest layers as used in organic light-emitting diodes (OLEDs), and show using multiscale ab initio based modeling that charge transport can be significantly enhanced by the coherent process of molecular superexchange. Superexchange increases the rate of emitter-to-emitter hopping, in particular if the emitter molecules act as relatively deep trap states, and allows for percolation path formation in charge transport at low guest concentrations.

  7. [Hopping and superexchange mechanisms of charge transport to DNA].

    Science.gov (United States)

    Lakhno, V D; Sultanov, V B

    2003-01-01

    A theory for charge transport in nucleobase sequences was constructed in which the hole migration proceeds via hopping between guanines. Each hop over the adenine-thymine (A-T) bridge connecting neighboring guanines occurs by means of the superexchange mechanism. The experimental data and theoretical results for various types of nucleobase sequences are compared.

  8. Antiferromagnetic superexchange via 3d states of titanium in EuTiO3 as seen from hybrid Hartree-Fock density functional calculations

    Science.gov (United States)

    Akamatsu, Hirofumi; Kumagai, Yu; Oba, Fumiyasu; Fujita, Koji; Murakami, Hideo; Tanaka, Katsuhisa; Tanaka, Isao

    2011-06-01

    A superexchange mechanism between Eu2+ 4f spins via the 3d states of nonmagnetic Ti4+ ions is proposed through first-principles calculations based on a hybrid Hartree-Fock density functional approach to explain G-type antiferromagnetism in EuTiO3. This mechanism is supported by systematic calculations for related Eu2+-based perovskite oxides. In EuTiO3, the competition between the antiferromagnetic superexchange and an indirect ferromagnetic exchange via the Eu 5d states leads to a delicate balance between antiferromagnetic and ferromagnetic phases. The superexchange mechanism involving the Ti 3d states hints at the microscopic origin of the strong spin-lattice coupling in EuTiO3.

  9. Theory of ferromagnetism driven by superexchange in dilute magnetic semi-conductors

    Directory of Open Access Journals (Sweden)

    Simserides C.

    2014-07-01

    Full Text Available Magnetic properties of Ga1−xMnxN are studied theoretically by employing a tight binding approach to determine exchange integrals Jij characterizing the coupling between Mn spin pairs located at distances Rij up to the 16th cation coordination sphere in zinc-blende GaN. It is shown that for a set of experimentally determined input parameters there are no itinerant carriers and the coupling between localized Mn3+ spins in GaN proceeds via superexchange that is ferromagnetic for all explored Rij values. Extensive Monte Carlo simulations serve to evaluate the magnitudes of Curie temperature TC by the cumulant crossing method. The theoretical values of TC(x are in quantitative agreement with the experimental data that are available for Ga1−xMnxN with randomly distributed Mn3+ ions with the concentrations 0.01 ≤ x ≤ 0.1.

  10. Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.

    Science.gov (United States)

    Reger, Daniel L; Pascui, Andrea E; Foley, Elizabeth A; Smith, Mark D; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A; Ozarowski, Andrew

    2017-03-06

    A series of monochloride-bridged, dinuclear metallacycles of the general formula [M2(μ-Cl)(μ-L)2](ClO4)3 have been prepared using the third-generation, ditopic bis(pyrazolyl)methane ligands L = m-bis[bis(1-pyrazolyl)methyl]benzene (Lm), M = Cu(II), Zn(II), and L = m-bis[bis(3,5-dimethyl-1-pyrazolyl)methyl]benzene (Lm*), M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II). These complexes were synthesized from the direct reactions of M(ClO4)2·6H2O, MCl2, and the ligand, Lm or Lm*, in the appropriate stoichiometric amounts. Three analogous complexes of the formula [M2(μ-Cl)(μ-L)2](BF4)3, L = Lm, M = Cu(II), and L = Lm*, M = Co(II), Cu(II), were prepared from the reaction of [M2(μ-F)(μ-L)2](BF4)3 and (CH3)3SiCl. The bromide-bridged complex [Cu2(μ-Br)(μ-Lm*)2](ClO4)3 was prepared by the first method. Three acyclic complexes, [Co2(μ-Lm)μ-Cl4], [Co2(μ-Lm*)Cl4], and [Co2(μ-Lm*)Br4], were also prepared. The structures of all [M2(μ-X)(μ-L)2](3+) (X = Cl(-), Br(-)) complexes have two ditopic bis(pyrazolyl)methane ligands bridging two metals in a metallacyclic arrangement. The fifth coordination site of the distorted trigonal bipyramidal metal centers is filled by a bridging halide ligand that has an unusual linear or nearly linear M-X-M angle. The NMR spectra of [Zn2(μ-Cl)(μ-Lm*)2](ClO4)3 and especially [Cd2(μ-Cl)(μ-Lm*)2](ClO4)3 demonstrate that the metallacycle structure is maintained in solution. Solid state magnetic susceptibility data for the copper(II) compounds show very strong antiferromagnetic exchange interactions, with -J values of 536 cm(-1) for [Cu2(μ-Cl)(μ-Lm)2](ClO4)3·xCH3CN, 720 cm(-1) for [Cu2(μ-Cl)(μ-Lm*)2](ClO4)3, and 945 cm(-1) for [Cu2(μ-Br)(μ-Lm*)2](ClO4)3·2CH3CN. Smaller but still substantial antiferromagnetic interactions are observed with other first row transition metals, with -J values of 98 cm(-1) for [Ni2(μ-Cl)(μ-Lm*)2](ClO4)3, 55 cm(-1) for [Co2(μ-Cl)(μ-Lm*)2](ClO4)3, and 34 cm(-1) for [Fe2(μ-Cl)(μ-Lm*)2](ClO4

  11. ANTENNA-COUPLED LIGHT-MATTER INTERACTIONS

    Energy Technology Data Exchange (ETDEWEB)

    NOVOTNY, LUKAS

    2014-01-10

    This project is focused on antenna-coupled photon emission from single quantum emitters. The properties of optical antennas are tailored to control different photophysical parameters, such as the excited state lifetime, the saturation intensity, and the quantum yield [3]. Using a single molecule coupled to an optical antenna whose position and properties can be controllably adjusted we established a detailed and quantitative understanding of light-matter interactions in nanoscale environments. We have studied various quantum emitters: single molecules [11], quantum dots [7], rareearth ions [2], and NV centers in diamond [19]. We have systematically studied the interaction of these emitters with optical antennas. The overall objective was to establish a high-level of control over the light-matter interaction. In order to eliminate the coupling to the environment, we have taken a step further and explored the possibility of levitating the quantum emitter in high vacuum. What started as a side-project soon became a main activity in our research program and led us to the demonstration of vacuum trapping and cooling of a nanoscale particle [14].

  12. Competition between strain and superexchange mediated magnetism in modified cobalt ferrite

    Science.gov (United States)

    Kumar, Rajnish; Aman, Abhay Kr.; Singh, Rakesh Kr.; Kar, Manoranjan

    2017-05-01

    Co1-xSrxFe2-xTixO4 (x = 0.01, 0.05, 0.1, 0.15, 0.2) has been synthesized using the sol-gel technique. The phase purity of the material has been studied by employing the X-ray powder diffraction (XRD) technique. The obtained XRD pattern shows the characteristic of F d 3 ¯m space group in cubic symmetry. The magnetic hysteresis loop has been recorded using vibrating sample magnetometer (VSM) at room temperature in the field range of ±2T. The loop has been studied using Law of Approach (LA) to saturation to calculate magnetocrystalline anisotropy. The magnetocrystalline anisotropy and saturation magnetization decrease with increase in doping concentration. Competition between strain mediated magnetism and magnetism due to superexchange interactions between cations has been observed.

  13. Nonlinear interaction of meta-atoms through optical coupling

    Energy Technology Data Exchange (ETDEWEB)

    Slobozhanyuk, A. P.; Kapitanova, P. V.; Filonov, D. S.; Belov, P. A. [National Research University of Information Technologies, Mechanics and Optics (ITMO), St. Petersburg 197101 (Russian Federation); Powell, D. A. [Nonlinear Physics Centre and Centre for Ultrahigh-bandwidth Devices for Optical Systems (CUDOS), Australian National University, Canberra, ACT 0200 (Australia); Shadrivov, I. V.; Kivshar, Yu. S. [National Research University of Information Technologies, Mechanics and Optics (ITMO), St. Petersburg 197101 (Russian Federation); Nonlinear Physics Centre and Centre for Ultrahigh-bandwidth Devices for Optical Systems (CUDOS), Australian National University, Canberra, ACT 0200 (Australia); Lapine, M., E-mail: mlapine@physics.usyd.edu.au [National Research University of Information Technologies, Mechanics and Optics (ITMO), St. Petersburg 197101 (Russian Federation); Centre for Ultrahigh-bandwidth Devices for Optical Systems (CUDOS), School of Physics, University of Sydney, New South Wales 2006 (Australia); McPhedran, R. C. [Centre for Ultrahigh-bandwidth Devices for Optical Systems (CUDOS), School of Physics, University of Sydney, New South Wales 2006 (Australia)

    2014-01-06

    We propose and experimentally demonstrate a multi-frequency nonlinear coupling mechanism between split-ring resonators. We engineer the coupling between two microwave resonators through optical interaction, whilst suppressing the direct electromagnetic coupling. This allows for a power-dependent interaction between the otherwise independent resonators, opening interesting opportunities to address applications in signal processing, filtering, directional coupling, and electromagnetic compatibility.

  14. Relativistic temperature and Higgs-like coupling of thermodynamic interactions

    Institute of Scientific and Technical Information of China (English)

    JIANG Wei-zhou

    2006-01-01

    The thermodynamic interaction at thermodynamic equilibrium in the free fermion gas is described in an alternative way by the coupling of particles with a scalar thermodynamic field that features self-interaction.This alternative coupling is similar to the Higgs coupling and is helpful in understanding the temperature transformation at thermodynamic equilibrium under the Lorentz boost.As this coupling is applied in the abelian interaction fermion gas,nothing nontrivial is obtained.However,an interesting thing happens in the nonabelian interaction fermion gas where the difference appears for the diagonal and off-diagonal intermediate bosons as the Higgs-like coupling is added.

  15. Verification of Anderson Superexchange in MnO via Magnetic Pair Distribution Function Analysis and ab initio Theory

    Science.gov (United States)

    Frandsen, Benjamin A.; Brunelli, Michela; Page, Katharine; Uemura, Yasutomo J.; Staunton, Julie B.; Billinge, Simon J. L.

    2016-05-01

    We present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ˜1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominated by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. The Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.

  16. Information flow between weakly interacting lattices of coupled maps

    Energy Technology Data Exchange (ETDEWEB)

    Dobyns, York [PEAR, Princeton University, Princeton, NJ 08544-5263 (United States); Atmanspacher, Harald [Institut fuer Grenzgebiete der Psychologie und Psychohygiene, Wilhelmstr. 3a, 79098 Freiburg (Germany)]. E-mail: haa@igpp.de

    2006-05-15

    Weakly interacting lattices of coupled maps can be modeled as ordinary coupled map lattices separated from each other by boundary regions with small coupling parameters. We demonstrate that such weakly interacting lattices can nevertheless have unexpected and striking effects on each other. Under specific conditions, particular stability properties of the lattices are significantly influenced by their weak mutual interaction. This observation is tantamount to an efficacious information flow across the boundary.

  17. Long-range superexchange in Cu2A2O7 (A= P, As, V) as a key element of the microscopic magnetic model

    Science.gov (United States)

    Janson, O.; Tsirlin, A. A.; Sichelschmidt, J.; Skourski, Y.; Weickert, F.; Rosner, H.

    2011-03-01

    A microscopic magnetic model for α-Cu2P2O7 is evaluated in a combined theoretical and experimental study. Despite a dominant intradimer coupling J1, sizable interdimer couplings enforce long-range magnetic ordering at TN=27 K. The spin model for α-Cu2P2O7 is compared to the models of the isostructural β-Cu2V2O7 and α-Cu2As2O7 systems. As a surprise, coupled dimers in α-Cu2P2O7 and alternating chains in α-Cu2As2O7 contrast with a honeycomb lattice in β-Cu2V2O7. We find that the qualitative difference in the coupling regime of these isostructural compounds is governed by the nature of AO4 side groups: d elements (A=V) hybridize with nearby O atoms forming a Cu-O-A-O-Cu superexchange path, while for p elements (A= P, As) the superexchange is realized via O-O edges of the tetrahedron. Implications for a broad range of systems are discussed.

  18. String coupling and interactions in type IIB matrix model

    CERN Document Server

    Kitazawa, Yoshihisa

    2008-01-01

    We investigate the interactions of closed strings in IIB matrix model. The basic interaction of the closed superstring is realized by the recombination of two intersecting strings. Such interaction is investigated in IIB matrix model via two dimensional noncommutative gauge theory in the IR limit. By estimating the probability of the recombination, we identify the string coupling g_s in IIB matrix model. We confirm that our identification is consistent with matrix string theory.

  19. Interplay of Coulomb interaction and spin-orbit coupling

    Science.gov (United States)

    Bünemann, Jörg; Linneweber, Thorben; Löw, Ute; Anders, Frithjof B.; Gebhard, Florian

    2016-07-01

    We employ the Gutzwiller variational approach to investigate the interplay of Coulomb interaction and spin-orbit coupling in a three-orbital Hubbard model. Already in the paramagnetic phase we find a substantial renormalization of the spin-orbit coupling that enters the effective single-particle Hamiltonian for the quasiparticles. Only close to half band-filling and for sizable Coulomb interaction do we observe clear signatures of Hund's atomic rules for spin, orbital, and total angular momentum. For a finite local Hund's rule exchange interaction we find a ferromagnetically ordered state. The spin-orbit coupling considerably reduces the size of the ordered moment, it generates a small ordered orbital moment, and it induces a magnetic anisotropy. To investigate the magnetic anisotropy energy, we use an external magnetic field that tilts the magnetic moment away from the easy axis (1 ,1 ,1 ) .

  20. An Interacting Dark Energy Model with Nonminimal Derivative Coupling

    CERN Document Server

    Nozari, Kourosh

    2016-01-01

    We study cosmological dynamics of an extended gravitational theory that gravity is coupled non-minimally with derivatives of a dark energy component and there is also a phenomenological interaction between the dark energy and dark matter. Depending on the direction of energy flow between the dark sectors, the phenomenological interaction gets two different signs. We show that this feature affects the existence of attractor solution, the rate of growth of perturbations and stability of the solutions. By considering an exponential potential as a self-interaction potential of the scalar field, we obtain accelerated scaling solutions that are attractors and have the potential to alleviate the coincidence problem. While in the absence of the nonminimal derivative coupling there is no attractor solution for phantom field when energy transfers from dark matter to dark energy, we show an attractor solution exists if one considers an explicit nonminimal derivative coupling for phantom field in this case of energy tran...

  1. Resurgence of oscillation in coupled oscillators under delayed cyclic interaction

    Science.gov (United States)

    Bera, Bidesh K.; Majhi, Soumen; Ghosh, Dibakar

    2017-07-01

    This paper investigates the emergence of amplitude death and revival of oscillations from the suppression states in a system of coupled dynamical units interacting through delayed cyclic mode. In order to resurrect the oscillation from amplitude death state, we introduce asymmetry and feedback parameter in the cyclic coupling forms as a result of which the death region shrinks due to higher asymmetry and lower feedback parameter values for coupled oscillatory systems. Some analytical conditions are derived for amplitude death and revival of oscillations in two coupled limit cycle oscillators and corresponding numerical simulations confirm the obtained theoretical results. We also report that the death state and revival of oscillations from quenched state are possible in the network of identical coupled oscillators. The proposed mechanism has also been examined using chaotic Lorenz oscillator.

  2. Microelectromechanical (MEMS) manipulators for control of nanoparticle coupling interactions

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, Daniel; Wiederrecht, Gary; Gosztola, David J.; Mancini, Derrick C.

    2017-01-17

    A nanopositioning system for producing a coupling interaction between a first nanoparticle and a second nanoparticle. A first MEMS positioning assembly includes an electrostatic comb drive actuator configured to selectively displace a first nanoparticle in a first dimension and an electrode configured to selectively displace the first nanoparticle in a second dimensions. Accordingly, the first nanoparticle may be selectively positioned in two dimensions to modulate the distance between the first nanoparticle and a second nanoparticle that may be coupled to a second MEMS positioning assembly. Modulating the distance between the first and second nanoparticles obtains a coupling interaction between the nanoparticles that alters at least one material property of the nanoparticles applicable to a variety of sensing and control applications.

  3. Induced pseudoscalar coupling of the proton weak interaction

    CERN Document Server

    Gorringe, T P; Gorringe, Tim; Fearing, Harold W.

    2004-01-01

    The induced pseudoscalar coupling $g_p$ is the least well known of the weak coupling constants of the proton's charged--current interaction. Its size is dictated by chiral symmetry arguments, and its measurement represents an important test of quantum chromodynamics at low energies. During the past decade a large body of new data relevant to the coupling $g_p$ has been accumulated. This data includes measurements of radiative and non radiative muon capture on targets ranging from hydrogen and few--nucleon systems to complex nuclei. Herein the authors review the theoretical underpinnings of $g_p$, the experimental studies of $g_p$, and the procedures and uncertainties in extracting the coupling from data. Current puzzles are highlighted and future opportunities are discussed.

  4. Interacting quintom dark energy with Nonminimal Derivative Coupling

    Science.gov (United States)

    Behrouz, Noushin; Nozari, Kourosh; Rashidi, Narges

    2017-03-01

    Following our recent work on interacting dark energy models (Nozari and Behrouz, 2016), we study cosmological dynamics of an extended dark energy model in which gravity is non-minimally coupled to the derivatives of a quintessence and a phantom field in a quintom model. There is also a phenomenological interaction between the dark energy and dark matter components. By considering an exponential potential as a self-interaction potential for quintom model, we obtain a scaling solution to alleviate the coincidence problem. The existence and stability of the critical points are discussed in details and it has been shown that in this setup the universe experiences a phantom divide crossing. We compare the model with recent observational data and find some constraints on the model's parameters. We investigate also perturbations around the homogeneous and isotropic background in our Nonminimal Derivative Coupling (NMDC) quintom model.

  5. Light-Matter Interactions: A Coupled Oscillator Description

    CERN Document Server

    Frimmer, Martin

    2016-01-01

    The semiclassical theory of light-matter interactions describes the interaction between a classical electromagnetic field with a quantum mechanical two-level system.We show that the quantum mechanical two-level system can be modeled by a system of two coupled classical harmonic oscillators whose eigenstates are split in frequency according to the coupling strength and play the roles of the two levels of the quantum mechanical two-level system. The effect of the light field on the mechanical system is modeled as a modulation of the spring constants of the individual oscillators. Using this fully classical model, we derive the Bloch equations for a two-level system and discuss the mechanical analogues of Rabi oscillations and coherent control experiments

  6. RKKY interaction in a chirally coupled double quantum dot system

    Energy Technology Data Exchange (ETDEWEB)

    Heine, A. W.; Tutuc, D.; Haug, R. J. [Institut für Festkörperphysik, Leibniz Universität Hannover, Appelstr. 2, 30167 Hannover (Germany); Zwicknagl, G. [Institut für Mathematische Physik, TU Braunschweig, Mendelssohnstr. 3, 38106 Braunschweig (Germany); Schuh, D. [Institut für Experimentelle und Angewandte Physik, Universität Regensburg, Universitätstr. 31, 93053 Regensburg (Germany); Wegscheider, W. [Laboratorium für Festkörperphysik, ETH Zürich, Schafmattstr. 16, 8093 Zürich, Switzerland and Institut für Experimentelle und Angewandte Physik, Universität Regensburg, Universitätstr. 31, 93053 Regens (Germany)

    2013-12-04

    The competition between the Kondo effect and the Ruderman-Kittel-Kasuya-Yoshida (RKKY) interaction is investigated in a double quantum dots system, coupled via a central open conducting region. A perpendicular magnetic field induces the formation of Landau Levels which in turn give rise to the so-called Kondo chessboard pattern in the transport through the quantum dots. The two quantum dots become therefore chirally coupled via the edge channels formed in the open conducting area. In regions where both quantum dots exhibit Kondo transport the presence of the RKKY exchange interaction is probed by an analysis of the temperature dependence. The thus obtained Kondo temperature of one dot shows an abrupt increase at the onset of Kondo transport in the other, independent of the magnetic field polarity, i.e. edge state chirality in the central region.

  7. Proxemics in Couple Interactions: Rekindling an Old Optic.

    Science.gov (United States)

    Sluzki, Carlos E

    2016-03-01

    Utilizing as a lens the interpersonal implications of physical interpersonal distances in social contexts (a set of variables present during the professional discourse during the 1960s and 1970s, to then fade away), this article explores interactive process displayed by the protagonic couple in Bela Bartok's opera "Bluebeard Castle," an exercise aimed at underlining the value of maintaining proxemics as an explicit level of observation for clinical practice and interpersonal research. © 2015 Family Process Institute.

  8. Photon-photon interactions with inner coupled double-cavity

    Institute of Scientific and Technical Information of China (English)

    Lai Wen-Xi; Li Hong-Cai; Yang Rong-Can

    2008-01-01

    This paper describes the interaction between two spatial modes of the optical fields with a single atom trapped inner coupled double-cavity.Theoretical derivation and numerical simulation with the experimental available parameters show that photon-photon switching and π phase shift of single photons may be achieved with current experimental technology.As the probe and control fields are in different spatial modes,the system is superior for implementing cavity QED-based photonic quantum networks.

  9. Coupling fluid-structure interaction with phase-field fracture

    Science.gov (United States)

    Wick, Thomas

    2016-12-01

    In this work, a concept for coupling fluid-structure interaction with brittle fracture in elasticity is proposed. The fluid-structure interaction problem is modeled in terms of the arbitrary Lagrangian-Eulerian technique and couples the isothermal, incompressible Navier-Stokes equations with nonlinear elastodynamics using the Saint-Venant Kirchhoff solid model. The brittle fracture model is based on a phase-field approach for cracks in elasticity and pressurized elastic solids. In order to derive a common framework, the phase-field approach is re-formulated in Lagrangian coordinates to combine it with fluid-structure interaction. A crack irreversibility condition, that is mathematically characterized as an inequality constraint in time, is enforced with the help of an augmented Lagrangian iteration. The resulting problem is highly nonlinear and solved with a modified Newton method (e.g., error-oriented) that specifically allows for a temporary increase of the residuals. The proposed framework is substantiated with several numerical tests. In these examples, computational stability in space and time is shown for several goal functionals, which demonstrates reliability of numerical modeling and algorithmic techniques. But also current limitations such as the necessity of using solid damping are addressed.

  10. Higher-spin Interactions from CFT: The Complete Cubic Couplings

    CERN Document Server

    Sleight, Charlotte

    2016-01-01

    In this letter we provide a complete holographic reconstruction of the cubic couplings in the minimal bosonic higher-spin theory in AdS$_{d+1}$. For this purpose we also determine the OPE coefficients of all single-trace conserved currents in the $d$-dimensional free scalar $O\\left(N\\right)$ vector model, and compute the tree-level three-point Witten diagram amplitudes for a generic cubic interaction of higher-spin gauge fields in the metric-like formulation.

  11. Interaction of solitons with a string of coupled quantum dots

    Science.gov (United States)

    Kumar, Vijendra; Swami, O. P.; Taneja, S.; Nagar, A. K.

    2016-05-01

    In this paper, we develop a theory for discrete solitons interaction with a string of coupled quantum dots in view of the local field effects. Discrete nonlinear Schrodinger (DNLS) equations are used to describe the dynamics of the string. Numerical calculations are carried out and results are analyzed with the help of matlab software. With the help of numerical solutions we demonstrate that in the quantum dots string, Rabi oscillations (RO) are self trapped into stable bright Rabi solitons. The Rabi oscillations in different types of nanostructures have potential applications to the elements of quantum logic and quantum memory.

  12. The Statics Dielectric Function and Interaction Potential In Strong Coupling With AdS/CFT

    CERN Document Server

    Liu, Lian; Liu, Hui

    2013-01-01

    In this paper, we studied the static dielectric function and interaction potential in strong coupling limit with AdS/CFT correspondence. The dielectric function is depressed compared with that in weak coupling. The interaction potential then presents a weaker screening characteristics in strong coupling, which indicates a smaller Debye mass compared with weak coupling.

  13. Ferromagnetic exchange anisotropy from antiferromagnetic superexchange in the mixed 3d-5d transition-metal compound Sr3CuIrO6.

    Science.gov (United States)

    Yin, Wei-Guo; Liu, X; Tsvelik, A M; Dean, M P M; Upton, M H; Kim, Jungho; Casa, D; Said, A; Gog, T; Qi, T F; Cao, G; Hill, J P

    2013-08-02

    We report a combined experimental and theoretical study of the unusual ferromagnetism in the one-dimensional copper-iridium oxide Sr(3)CuIrO(6). Utilizing Ir L(3) edge resonant inelastic x-ray scattering, we reveal a large gap magnetic excitation spectrum. We find that it is caused by an unusual exchange anisotropy generating mechanism, namely, strong ferromagnetic anisotropy arising from antiferromagnetic superexchange, driven by the alternating strong and weak spin-orbit coupling on the 5d Ir and 3d Cu magnetic ions, respectively. From symmetry consideration, this novel mechanism is generally present in systems with edge-sharing Cu(2+)O(4) plaquettes and Ir(4+)O(6) octahedra. Our results point to unusual magnetic behavior to be expected in mixed 3d-5d transition-metal compounds via exchange pathways that are absent in pure 3d or 5d compounds.

  14. Coupled effects of local movement and global interaction on contagion

    CERN Document Server

    Zhong, Li-Xin; Chen, Rong-Da; Qiu, Tian; Zhong, Chen-Yang

    2014-01-01

    By incorporating segregated spatial domain and individual-based linkage into the SIS (susceptible-infected-susceptible) model, we investigate the coupled effects of random walk and intragroup interaction on contagion. Compared with the situation where only local movement or individual-based linkage exists, the coexistence of them leads to a wider spread of infectious disease. The roles of narrowing segregated spatial domain and reducing mobility in epidemic control are checked, these two measures are found to be conducive to curbing the spread of infectious disease. Considering heterogeneous time scales between local movement and global interaction, a log-log relation between the change in the number of infected individuals and the timescale $\\tau$ is found. A theoretical analysis indicates that the evolutionary dynamics in the present model is related to the encounter probability and the encounter time. A functional relation between the epidemic threshold and the ratio of shortcuts, and a functional relation...

  15. Development of a coupled wave-flow-vegetation interaction model

    Science.gov (United States)

    Beudin, Alexis; Kalra, Tarandeep; Ganju, Neil Kamal; Warner, John C.

    2017-01-01

    Emergent and submerged vegetation can significantly affect coastal hydrodynamics. However, most deterministic numerical models do not take into account their influence on currents, waves, and turbulence. In this paper, we describe the implementation of a wave-flow-vegetation module into a Coupled-Ocean-Atmosphere-Wave-Sediment Transport (COAWST) modeling system that includes a flow model (ROMS) and a wave model (SWAN), and illustrate various interacting processes using an idealized shallow basin application. The flow model has been modified to include plant posture-dependent three-dimensional drag, in-canopy wave-induced streaming, and production of turbulent kinetic energy and enstrophy to parameterize vertical mixing. The coupling framework has been updated to exchange vegetation-related variables between the flow model and the wave model to account for wave energy dissipation due to vegetation. This study i) demonstrates the validity of the plant posture-dependent drag parameterization against field measurements, ii) shows that the model is capable of reproducing the mean and turbulent flow field in the presence of vegetation as compared to various laboratory experiments, iii) provides insight into the flow-vegetation interaction through an analysis of the terms in the momentum balance, iv) describes the influence of a submerged vegetation patch on tidal currents and waves separately and combined, and v) proposes future directions for research and development.

  16. Development of a coupled wave-flow-vegetation interaction model

    Science.gov (United States)

    Beudin, Alexis; Kalra, Tarandeep S.; Ganju, Neil K.; Warner, John C.

    2017-03-01

    Emergent and submerged vegetation can significantly affect coastal hydrodynamics. However, most deterministic numerical models do not take into account their influence on currents, waves, and turbulence. In this paper, we describe the implementation of a wave-flow-vegetation module into a Coupled-Ocean-Atmosphere-Wave-Sediment Transport (COAWST) modeling system that includes a flow model (ROMS) and a wave model (SWAN), and illustrate various interacting processes using an idealized shallow basin application. The flow model has been modified to include plant posture-dependent three-dimensional drag, in-canopy wave-induced streaming, and production of turbulent kinetic energy and enstrophy to parameterize vertical mixing. The coupling framework has been updated to exchange vegetation-related variables between the flow model and the wave model to account for wave energy dissipation due to vegetation. This study i) demonstrates the validity of the plant posture-dependent drag parameterization against field measurements, ii) shows that the model is capable of reproducing the mean and turbulent flow field in the presence of vegetation as compared to various laboratory experiments, iii) provides insight into the flow-vegetation interaction through an analysis of the terms in the momentum balance, iv) describes the influence of a submerged vegetation patch on tidal currents and waves separately and combined, and v) proposes future directions for research and development.

  17. Nuclear quadrupole coupling interactions in the rotational spectrum of tryptamine

    Science.gov (United States)

    Alonso, J. L.; Cortijo, V.; Mata, S.; Pérez, C.; Cabezas, C.; López, J. C.; Caminati, W.

    2011-09-01

    Four conformers of tryptamine have been detected in a supersonic expansion and characterized by laser ablation molecular beam Fourier transform microwave spectroscopy LA-MB-FTMW in the 5-10 GHz frequency range. The quadrupole hyperfine structure originated by two 14N nuclei has been completely resolved for all conformers and used for their unambiguous identification. Nuclear quadrupole coupling constants of the nitrogen atom of the side chain have been used to determine the orientation of the amino group involved in N-H⋯π interactions: to the π electronic system of the pyrrole unit in the Gauche-Pyrrole conformers (GPy) or to the phenyl unit in the Gauche-Phenyl ones.

  18. Superconductivity in optimally doped cuprates: BZA program works well and superexchange is the glue

    Directory of Open Access Journals (Sweden)

    G. Baskaran

    2006-09-01

    Full Text Available   Resonating valence bond states in a doped Mott insulator was proposed to explain superconductivity in cuprates in January 1987 by Anderson. A challenging task then was proving existence of this unconventional mechanism and a wealth of possibilities, with a rigor acceptable in standard condensed matter physics, in a microscopic theory and develop suitable many body techniques. Shortly, a paper by Anderson, Zou and us (BZA undertook this task and initiated a program. Three key papers that followed, shortly, essentially completed the program, as far as superconductivity is concerned,i a gauge theory approach by Anderson and us, that went beyond mean field theory ii Kotliar’s d -wave solution in BZA theory iii improvement of a renormalized Hamiltonian in BZA theory, using a Gutzwiller approximation by Zhang, Gros, Rice and Shiba. In this article I shall focus on the merits of BZA and gauge theory papers. They turned out to be a foundation for subsequent developments dealing with more aspects that were unconventional - d -wave order parameter with nodal Bogoliubov quasi particles, Affleck-Marston’s π-flux condensed spin liquid phase, unconventional spin-1 collective mode at (π, π, and other fascinating developments. Kivelson, Rokhsar and Sethna’s idea of holons and their bose condensation found expression in the slave boson formalism and lead to results similar to BZA program. At optimal doping, correlated electrons acquire sufficient fermi sea character, at the same time retain enough superexchange inherited from a Mott insulator parentage, ending in a BCS like situation with superexchange as a glue! Not surprisingly, mean field theory works well at optimal doping, even quantitatively. Further, t-J model is a minimal model only around optimal doping, where RVB superconductivity is also at its best.

  19. Interaction of G protein coupled receptors and cholesterol.

    Science.gov (United States)

    Gimpl, Gerald

    2016-09-01

    G protein coupled receptors (GPCRs) form the largest receptor superfamily in eukaryotic cells. Owing to their seven transmembrane helices, large parts of these proteins are embedded in the cholesterol-rich plasma membrane bilayer. Thus, GPCRs are always in proximity to cholesterol. Some of them are functionally dependent on the specific presence of cholesterol. Over the last years, enormous progress on receptor structures has been achieved. While lipophilic ligands other than cholesterol have been shown to bind either inside the helix bundle or at the receptor-lipid interface, the binding site of cholesterol was either a single transmembrane helix or a groove between two or more transmembrane helices. A clear preference for one of the two membrane leaflets has not been observed. Not surprisingly, many hydrophobic residues (primarily leucine and isoleucine) were found to be involved in cholesterol binding. In most cases, the rough β-face of cholesterol contacted the transmembrane helix bundle rather than the surrounding lipid matrix. The polar hydroxy group of cholesterol was localized near the water-membrane interface with potential hydrogen bonding to residues in receptor loop regions. Although a canonical motif, designated as CCM site, was detected as a specific cholesterol binding site in case of the β2AR, this site was not found to be occupied by cholesterol in other GPCRs possessing the same motif. Cholesterol-receptor interactions can increase the compactness of the receptor structure and are able to enhance the conformational stability towards active or inactive receptor states. Overall, all current data suggest a high plasticity of cholesterol interaction sites in GPCRs.

  20. SynCoPation: Interactive Synthesis-Coupled Sound Propagation.

    Science.gov (United States)

    Rungta, Atul; Schissler, Carl; Mehra, Ravish; Malloy, Chris; Lin, Ming; Manocha, Dinesh

    2016-04-01

    Recent research in sound simulation has focused on either sound synthesis or sound propagation, and many standalone algorithms have been developed for each domain. We present a novel technique for coupling sound synthesis with sound propagation to automatically generate realistic aural content for virtual environments. Our approach can generate sounds from rigid-bodies based on the vibration modes and radiation coefficients represented by the single-point multipole expansion. We present a mode-adaptive propagation algorithm that uses a perceptual Hankel function approximation technique to achieve interactive runtime performance. The overall approach allows for high degrees of dynamism - it can support dynamic sources, dynamic listeners, and dynamic directivity simultaneously. We have integrated our system with the Unity game engine and demonstrate the effectiveness of this fully-automatic technique for audio content creation in complex indoor and outdoor scenes. We conducted a preliminary, online user-study to evaluate whether our Hankel function approximation causes any perceptible loss of audio quality. The results indicate that the subjects were unable to distinguish between the audio rendered using the approximate function and audio rendered using the full Hankel function in the Cathedral, Tuscany, and the Game benchmarks.

  1. Calculation of exchange interaction for modified Gaussian coupled quantum dots

    Science.gov (United States)

    Khordad, R.

    2017-08-01

    A system of two laterally coupled quantum dots with modified Gaussian potential has been considered. Each quantum dot has an electron under electric and magnetic field. The quantum dots have been considered as hydrogen-like atoms. The physical picture has translated into the Heisenberg spin Hamiltonian. The Schrödinger equation using finite element method has been numerically solved. The exchange energy factor has been calculated as a functions of electric field, magnetic field, and the separation distance between the centers of the dots ( d). According to the results, it is found that there is the transition from anti-ferromagnetic to ferromagnetic for constant electric field. Also, the transition occurs from ferromagnetic to anti-ferromagnetic for constant magnetic field (B>1 T). With decreasing the distance between the centers of the dots and increasing magnetic field, the transition occurs from anti-ferromagnetic to ferromagnetic. It is found that a switching of exchange energy factor is presented without canceling the interactions of the electric and magnetic fields on the system.

  2. Time-varying interaction leads to amplitude death in coupled nonlinear oscillators

    Indian Academy of Sciences (India)

    Awadhesh Prasad

    2013-09-01

    A new form of time-varying interaction in coupled oscillators is introduced. In this interaction, each individual oscillator has always time-independent self-feedback while its interaction with other oscillators are modulated with time-varying function. This interaction gives rise to a phenomenon called amplitude death even in diffusively coupled identical oscillators. The nonlinear variation of the locus of bifurcation point is shown. Results are illustrated with Landau–Stuart (LS) and Rössler oscillators.

  3. Evaluation of electron-electron interactions in coupled quantum dots by using far-infrared spectra

    Institute of Scientific and Technical Information of China (English)

    Dong Qing-Rui

    2008-01-01

    We have studied the far-infrared spectra of two-electron vertically coupled quantum dots in an axial magnetic field by exact diagonalization. The calculated results show an obvious difference in role between the interactions for spin S = 1 and for spin S = 0. The results support the possibility to evaluate the interactions by far-infrared spectroscopy in vertically coupled quantum dots.

  4. Influences of strong exciton-phonon interaction on two coupled quantum dots within cavity QED

    Energy Technology Data Exchange (ETDEWEB)

    Yuan Xiaozhong [Department of Physics, Institute of Quantum Optics and Quantum Information, Shanghai Jiao Tong University, Shanghai 200240 (China)]. E-mail: yxz@sjtu.edu.cn; Zhu Kadi [Department of Physics, Institute of Quantum Optics and Quantum Information, Shanghai Jiao Tong University, Shanghai 200240 (China); Li Waisang [Department of Electronic and Information Engineering, Hong Kong Polytechnic University, Hong Kong (China)

    2004-08-30

    For two coupled quantum dots within cavity QED, we show that the exciton-phonon interaction reduces the Rabi frequency and Foerster interaction even at absolute zero temperature. The exciton-phonon interaction also makes an additional contribution to the static exciton-exciton dipole interaction energy.

  5. Influences of strong exciton-phonon interaction on two coupled quantum dots within cavity QED

    Science.gov (United States)

    Yuan, Xiao-Zhong; Zhu, Ka-Di; Li, Wai-Sang

    2004-08-01

    For two coupled quantum dots within cavity QED, we show that the exciton-phonon interaction reduces the Rabi frequency and Förster interaction even at absolute zero temperature. The exciton-phonon interaction also makes an additional contribution to the static exciton-exciton dipole interaction energy.

  6. Finite difference methods for coupled flow interaction transport models

    Directory of Open Access Journals (Sweden)

    Shelly McGee

    2009-04-01

    Full Text Available Understanding chemical transport in blood flow involves coupling the chemical transport process with flow equations describing the blood and plasma in the membrane wall. In this work, we consider a coupled two-dimensional model with transient Navier-Stokes equation to model the blood flow in the vessel and Darcy's flow to model the plasma flow through the vessel wall. The advection-diffusion equation is coupled with the velocities from the flows in the vessel and wall, respectively to model the transport of the chemical. The coupled chemical transport equations are discretized by the finite difference method and the resulting system is solved using the additive Schwarz method. Development of the model and related analytical and numerical results are presented in this work.

  7. Coherent Atom-Phonon Interaction through Mode Field Coupling in Hybrid Optomechanical Systems

    CERN Document Server

    Cotrufo, Michele; Verhagen, Ewold

    2016-01-01

    We propose a novel type of optomechanical coupling which enables a tripartite interaction between a quantum emitter, an optical mode and a macroscopic mechanical oscillator. The interaction uses a mechanism we term mode field coupling: mechanical displacement modifies the spatial distribution of the optical mode field, which in turn modulates the atom-photon coupling rate. In properly designed multimode optomechanical systems, we can achieve situations in which mode field coupling is the only possible interaction pathway for the system. This enables, for example, swapping of a single excitation between emitter and phonon, creation of nonclassical states of motion and mechanical ground-state cooling in the bad-cavity regime. Importantly, the emitter-phonon coupling rate can be enhanced through an optical drive field, allowing active control of strong atom-phonon coupling for realistic experimental parameters.

  8. Two Interacting Electrons in a Vertically Coupled Quantum Dot

    Institute of Scientific and Technical Information of China (English)

    XIE Wen-Fang; WANG An-Mei

    2004-01-01

    We study a two-electron system in a double-layer quantum dot under a magnetic field by means of the exact diagonalization of the Hamiltonian matrix.We find that discontinuous ground-state energy transitions are induced by an external magnetic field in the case of strong coupling.However,in the case of weak coupling,the angular momentum L of the true ground state does not change in accordance with the change of the magnetic field B and remains L=0.

  9. Dimeric interactions and complex formation using direct coevolutionary couplings.

    Science.gov (United States)

    dos Santos, Ricardo N; Morcos, Faruck; Jana, Biman; Andricopulo, Adriano D; Onuchic, José N

    2015-09-04

    We develop a procedure to characterize the association of protein structures into homodimers using coevolutionary couplings extracted from Direct Coupling Analysis (DCA) in combination with Structure Based Models (SBM). Identification of dimerization contacts using DCA is more challenging than intradomain contacts since direct couplings are mixed with monomeric contacts. Therefore a systematic way to extract dimerization signals has been elusive. We provide evidence that the prediction of homodimeric complexes is possible with high accuracy for all the cases we studied which have rich sequence information. For the most accurate conformations of the structurally diverse dimeric complexes studied the mean and interfacial RMSDs are 1.95Å and 1.44Å, respectively. This methodology is also able to identify distinct dimerization conformations as for the case of the family of response regulators, which dimerize upon activation. The identification of dimeric complexes can provide interesting molecular insights in the construction of large oligomeric complexes and be useful in the study of aggregation related diseases like Alzheimer's or Parkinson's.

  10. Consistent gauge interaction involving dynamical coupling and anomalous current

    CERN Document Server

    Guendelman, Eduardo I

    2015-01-01

    We show a possible way to construct a consistent formalism where the effective electric charge can change with space and time without destroying the invariance. In the previous work [1][2] we took the gauge coupling to be of the form $g(\\phi)j_\\mu (A^{\\mu} +\\partial^{\\mu}B)$ where $B$ is an auxiliary field, $ \\phi $ is a scalar field and the current $j_\\mu$ is the Dirac current. This term produces a constraint $ (\\partial_{\\mu}\\phi) j^{\\mu}=0 $ which can be related to M.I.T bag model by boundary condition. In this paper we show that when we use the term $ g(\\phi)j_{\\mu}(A^{\\mu} - \\partial^{\\mu}(\\frac{1}{\\square}\\partial_{\\rho}A^{\\rho})) $, instead of the auxiliary field $ B $, there is a possibility to produce a theory with dynamical coupling constant, which does not produce any constraint or confinement. The coupling $ j_{\\mu}^{A}(A^{\\mu} - \\partial^{\\mu}(\\frac{1}{\\square}\\partial_{\\rho}A^{\\rho})) $ where $ j_{\\mu}^{A} $ is an anomalous current also discussed.

  11. Intramolecular Charge Transfer of Carotene-porphyrin-fullerene Triad: Sequential or Superexchange Cechanism

    Institute of Scientific and Technical Information of China (English)

    SUN,Yu; CHEN,Yue-Hui; LI,Yuan-Zuo; LI,Yong-Qing; MA,Feng-Cai

    2008-01-01

    As an excellent artificial photosynthetic reaction center,the carotene (C)-porphyrin (P)-fullerene (F) triad was extensively investigated experimentally.To reveal the mechanism of the intramolecular charge transfer (ICT) on the mimic of photosynthetic solar energy conversion (such as singlet energy transfer between pigments,and photoinduced electron transfer from excited singlet states to give long-lived charge-separated states),the ICT mechanisms of C-P-F triad on the exciton were theoretically studied with quantum chemical methods as well as the 2D and 3D real space analysis approaches.The results of quantum chemical methods reveal that the excited states are the ICT states,since the densities of HOMO are localized in the carotene or porphyrin unit,and the densities of LUMO are localized in the fullerene unit.Furthermore,the excited states should be the intramolecular superexchange charge transfer (ISCT) states for the orbital transition from the HOMO whose densities are localized in the carotene to the LUMO whose densities are localized in the fullerene unit.The 3D charge difference densities can clearly show that some excited states are ISCT excited states,since the electron and hole are resident in the fullerene and carotene units,respectively.From the results of the electron-hole coherence of the 2D transition density matrix,not only 3D results are supported,but also the delocalization size on the exciton can be observed.These phenomena were further interpreted with non-linear optical effect.The large changes of the linear and non-linear polarizabilities on the exciton result in the charge separate states,and if their changes are large enough,the ICT mechanism can become the ISCT on the exciton.

  12. Strong coupling of two interacting excitons confined in a nanocavity-quantum dot system

    Energy Technology Data Exchange (ETDEWEB)

    Cardenas, Paulo C; RodrIguez, Boris A [Instituto de Fisica, Universidad de Antioquia, AA 1226 MedellIn (Colombia); Quesada, Nicolas [McLennan Physical Laboratories, University of Toronto, 60 St George Street, Toronto, ON, M5S 1A7 (Canada); Vinck-Posada, Herbert, E-mail: pcardenas@fisica.udea.edu.co [Departamento de Fisica, Universidad Nacional de Colombia, Ciudad Universitaria, Bogota (Colombia)

    2011-07-06

    We present a study of the strong coupling between radiation and matter, considering a system of two quantum dots, which are in mutual interaction and interact with a single mode of light confined in a semiconductor nanocavity. We take into account dissipative mechanisms such as the escape of the cavity photons, decay of the quantum dot excitons by spontaneous emission, and independent exciton pumping. It is shown that the mutual interaction between the dots can be measured off-resonance only if the strong coupling condition is reached. Using the quantum regression theorem, a reasonable definition of the dynamical coupling regimes is introduced in terms of the complex Rabi frequency. Finally, the emission spectrum for relevant conditions is presented and compared with the above definition, demonstrating that the interaction between the excitons does not affect the strong coupling.

  13. Ferromagnetic interactions between transition-metal impurities in topological and 3D Dirac semimetals

    Science.gov (United States)

    Dietl, Tomasz

    The magnitude of ferromagnetic coupling driven by inter-band (Bloembergen-Rowland - BR) and intra-band (Ruderman-Kittel-Kasuya-Yoshida - RKKY) spin polarization is evaluated within kp theory for topological semimetals Hg1-xMnxTe and Hg1-xMnxSe as well as for 3D Dirac semimetal (Cd1-xMnx)3As2. In these systems Mn2+ ions do not introduce any carriers. Since, however, both conduction and valence bands are built from anion p-type wave functions, hybridization of Mn d levels with neighboring anion p states leads to spin-dependent p - d coupling of both electrons and holes to localized Mn spins, resulting in sizable inter-band spin polarization and, thus in large BR interactions. We demonstrate that this ferromagnetic coupling, together with antiferromagnetic superexchange, elucidate a specific dependence of spin-glass freezing temperature on x, determined experimentally for these systems. Furthermore, by employing a multi-orbital tight-binding method, we find that superexchange becomes ferromagnetic when Mn is replaced by Cr or V. Since Cr should act as an isoelectronic impurity in HgTe, this opens a road for realization of ferromagnetic topological insulators based on (Hg,Cr)Te.

  14. Towards Ultrafast Communications: Nonlinear Coupling Dynamics and Light-Semiconductor Interaction

    NARCIS (Netherlands)

    Wang, W.

    2007-01-01

    This thesis deals with some specific problems concerning the processing of ultrashort optical pulses and their interaction with semiconductors. It includes the investigation of the ultrashort optical pulse propagation and coupling dynamics in the nonlinear coupled waveguide, and the coherent and in

  15. The Modeling of Coupled Electromagnetic-Thermo-Mechanical Laser Interactions and Microstructural Behavior of Energetic Aggregates

    Science.gov (United States)

    2015-01-01

    ABSTRACT BROWN, JUDITH ALICE. The Modeling of Coupled Electromagnetic- Thermo -Mechanical Laser Interactions and Microstructural Behavior of...Energetic Aggregates. (Under the direction of Dr. Mohammed Zikry). The coupled electromagnetic- thermo -mechanical response of RDX (cyclotrimethylene...frequency electromagnetic (EM) wave propagation, laser heat absorption, thermal conduction, and inelastic dynamic thermo - mechanical deformation in

  16. Density matrix of two interacting particles with kinetic coupling derived in bipartite entangled state representation

    Institute of Scientific and Technical Information of China (English)

    Guo Qin

    2007-01-01

    A density matrix is usually obtained by solving the Bloch equation, however only a few Hamiltonians' density matrices can be analytically derived. The density matrix for two interacting particles with kinetic coupling is hard to derive by the usual method due to this coupling; this paper solves this problem by using the bipartite entangled state representation.

  17. Towards Ultrafast Communications: Nonlinear Coupling Dynamics and Light-Semiconductor Interaction

    NARCIS (Netherlands)

    Wang, W.

    2007-01-01

    This thesis deals with some specific problems concerning the processing of ultrashort optical pulses and their interaction with semiconductors. It includes the investigation of the ultrashort optical pulse propagation and coupling dynamics in the nonlinear coupled waveguide, and the coherent and

  18. Do the Naive Know Best? The Predictive Power of Naive Ratings of Couple Interactions

    Science.gov (United States)

    Baucom, Katherine J. W.; Baucom, Brian R.; Christensen, Andrew

    2012-01-01

    We examined the utility of naive ratings of communication patterns and relationship quality in a large sample of distressed couples. Untrained raters assessed 10-min videotaped interactions from 134 distressed couples who participated in both problem-solving and social support discussions at each of 3 time points (pre-therapy, post-therapy, and…

  19. Toward Usable Interactive Analytics: Coupling Cognition and Computation

    Energy Technology Data Exchange (ETDEWEB)

    Endert, Alexander; North, Chris; Chang, Remco; Zhou, Michelle

    2014-09-24

    Interactive analytics provide users a myriad of computational means to aid in extracting meaningful information from large and complex datasets. Much prior work focuses either on advancing the capabilities of machine-centric approaches by the data mining and machine learning communities, or human-driven methods by the visualization and CHI communities. However, these methods do not yet support a true human-machine symbiotic relationship where users and machines work together collaboratively and adapt to each other to advance an interactive analytic process. In this paper we discuss some of the inherent issues, outlining what we believe are the steps toward usable interactive analytics that will ultimately increase the effectiveness for both humans and computers to produce insights.

  20. Antiferromagnetic coupling of TbPc2 molecules to ultrathin Ni and Co films

    Directory of Open Access Journals (Sweden)

    David Klar

    2013-05-01

    Full Text Available The magnetic and electronic properties of single-molecule magnets are studied by X-ray absorption spectroscopy and X-ray magnetic circular dichroism. We study the magnetic coupling of ultrathin Co and Ni films that are epitaxially grown onto a Cu(100 substrate, to an in situ deposited submonolayer of TbPc2 molecules. Because of the element specificity of the X-ray absorption spectroscopy we are able to individually determine the field dependence of the magnetization of the Tb ions and the Ni or Co film. On both substrates the TbPc2 molecules couple antiferromagnetically to the ferromagnetic films, which is possibly due to a superexchange interaction via the phthalocyanine ligand that contacts the magnetic surface.

  1. Strong Interactive Massive Particles from a Strong Coupled Theory

    DEFF Research Database (Denmark)

    Yu. Khlopov, Maxim; Kouvaris, Christoforos

    2008-01-01

    (-2). These excessive techniparticles are all captured by $^4He$, creating \\emph{techni-O-helium} $tOHe$ ``atoms'', as soon as $^4He$ is formed in Big Bang Nucleosynthesis. The interaction of techni-O-helium with nuclei opens new paths to the creation of heavy nuclei in Big Bang Nucleosynthesis. Due...

  2. A socio-emotional approach to couple therapy: linking social context and couple interaction.

    Science.gov (United States)

    Knudson-Martin, Carmen; Huenergardt, Douglas

    2010-09-01

    This paper introduces Socio-Emotional Relationship Therapy (SERT), an approach designed to intervene in socio-cultural processes that limit couples' ability to develop mutually supportive relationships, especially within heterosexual relationships. SERT integrates recent advances in neurobiology and the social context of emotion with social constructionist assumptions regarding the fluid and contextual nature of gender, culture, personal identities, and relationship patterns. It advances social constructionist practice through in-session experiential work focused on 4 conditions foundational to mutual support--mutual influence, shared vulnerability, shared relationship responsibility, and mutual attunement. In contrast to couple therapy models that mask power issues, therapist neutrality is not considered possible or desirable. Instead, therapists position themselves to counteract social inequalities. The paper illustrates how empathic engagement of a socio-culturally attuned therapist sets the stage for new socio-cultural experience as it is embodied neurologically and physically in the relationship and discusses therapy as societal intervention. 2010 © FPI, Inc.

  3. Dealing with Tight Couplings and Multiple Interactions in Complex Technological Systems

    DEFF Research Database (Denmark)

    Aanestad, M.; Jensen, Tina Blegind; Grisot, M.

    interactions, mechanisms, and couplings are emphasized. We base our paper on an empirical case study from a Norwegian hospital, where a seemingly trivial project aimed at the introduction of scanners turned out to be more complex than expected. This we claim is partly due to the interdependencies and tight...... couplings between information systems, actors, and work practices in the hospital environment. The paper's main focus is on describing what it entails in practice to deal with these interdependencies during and after implementation. We emphasize the work of sorting out and dealing with various types...... of interactions and couplings....

  4. High temperature susceptibility in electron doped Ca sub 1 sub - sub x Y sub x MnO sub 3 double exchange versus superexchange

    CERN Document Server

    Aliaga, H; Tovar, M; Butera, A; Alascio, B; Vega, D; Leyva, G; Polla, G; König, P

    2003-01-01

    We present a study of the magnetic properties of the electron doped manganites Ca sub 1 sub - sub x Y sub x MnO sub 3 (for 0 sup 450 K and, below this temperature, chi sup - sup 1 (T) shows a ferrimagnetic-like curvature. We approached the discussion of these results in terms of a simple mean-field model where double exchange, approximated by a ferromagnetic Heisenberg-like interaction between Mn sup 3 sup + and Mn sup 4 sup + ions, competes with classical superexchange. For higher levels of doping (x sup>= 0.15), the CW behaviour is observed down to the magnetic ordering temperature (T sub m sub o) and a better description of chi(T) was obtained by assuming full delocalization of the e sub g electrons. In order to explore the degree of delocalization as a function of T and x, we analysed the problem through Monte Carlo simulations. Within this picture we found that at high T the electrons doped are completely delocalized but, when T sub m sub o is approached, they form magnetic polarons of large spin that ca...

  5. Enhanced interaction between a mechanical oscillator and two coupled resonant electrical circuits

    CERN Document Server

    Dmitriev, A V

    2014-01-01

    This paper reports result of calculation and experimental realization of an electromechanical system that consists of a high-Q mechanical oscillator parametrically coupled in the manner of a capacitive transducer with a RF circuit, which is in turn inductively coupled with another RF circuit. The system operates in the resolved sideband regime when the mechanical oscillator's frequency is larger than the electrical circuits' bandwidths. Using two coupled RF circuits allowed one to enhance the interaction between them and the mechanical oscillator which is one of flexural vibrational modes of a free-edge circular silicon wafer. Such a coupled electromechanical system can be used as a high-sensitive capacitive vibration sensor.

  6. Galaxy bachelors, couples, spouses: Star formation in interacting galaxies

    Science.gov (United States)

    Sun, Jing; Barger, Kathleen; Richstein, Hannah; SDSS-IV/MaNGA

    2017-01-01

    We investigate the star formation activity in three galaxy systems in different stages of interaction to determine how the environment of galaxies affects their star forming ability and potential. These systems include an isolated galaxy, a pair of interacting galaxies, and a pair of merging galaxies. All of the target galaxies in these systems have similar stellar masses and similar radii and are at similar redshifts. We trace the star formation activity over the past 1-2 Gyr using spatially and kinematically resolved H-alpha emission, H-alpha equivalent width, and 4000-Angstrom break maps. This work is based on data from the fourth-generation Sloan Digital Sky Survey (SDSS-IV)/Mapping Nearby Galaxies at Apache Point Observatory (MaNGA), and is part of the Project No.0285 in SDSS-IV.

  7. An Arctic Ice/Ocean Coupled Model with Wave Interactions

    Science.gov (United States)

    2015-09-30

    ocean waves and sea ice interact, for use in operational models of the Arctic Basin and the adjacent seas; – improve the forecasting capacities of...spectra and modify their directional spread. Being the primary focus of the current project, we are developing innovative methods to model these...during WIFAR (Waves-in-Ice Forecasting for Arctic Operators), a partnership between the Nansen Environmental and Remote Sensing Center (NERSC) in

  8. Resonance tuning due to Coulomb interaction in strong near-field coupled metamaterials

    Energy Technology Data Exchange (ETDEWEB)

    Roy Chowdhury, Dibakar, E-mail: dibakar.roychowdhury@anu.edu.au [Center for Sustainable Energy Systems, College of Engineering and Computer Science, Australian National University, Canberra 0200 (Australia); College of Engineering, Mahindra Ecole Centrale, Jeedimetla, Hyderabad, 500043 (India); Xu, Ningning; Zhang, Weili [School of Electrical Engineering and Computer Science, Oklahoma State University, Stillwater, Oklahoma 87074 (United States); Singh, Ranjan, E-mail: ranjans@ntu.edu.sg [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Centre for Disruptive Photonic Technologies, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore)

    2015-07-14

    Coulomb's law is one of the most fundamental laws of physics that describes the electrostatic interaction between two like or unlike point charges. Here, we experimentally observe a strong effect of Coulomb interaction in tightly coupled terahertz metamaterials where the split-ring resonator dimers in a unit cell are coupled through their near fields across the capacitive split gaps. Using a simple analytical model, we evaluated the Coulomb parameter that switched its sign from negative to positive values indicating the transition in the nature of Coulomb force from being repulsive to attractive depending upon the near field coupling between the split ring resonators. Apart from showing interesting effects in the strong coupling regime between meta-atoms, Coulomb interaction also allows an additional degree of freedom to achieve frequency tunable dynamic metamaterials.

  9. Constraining the fundamental interactions and couplings with Eoetvoes experiments

    Energy Technology Data Exchange (ETDEWEB)

    Kraiselburd, Lucila, E-mail: lkrai@fcaglp.fcaglp.unlp.edu.ar [Grupo de Gravitacion, Astrofisica y Cosmologia, Facultad de Ciencias Astronomicas y Geofisicas, Universidad Nacional de La Plata, Paseo del Bosque S/N (1900) La Plata (Argentina); Vucetich, Hector, E-mail: vucetich@fcaglp.unlp.edu.ar [Grupo de Gravitacion, Astrofisica y Cosmologia, Facultad de Ciencias Astronomicas y Geofisicas, Universidad Nacional de La Plata, Paseo del Bosque S/N (1900) La Plata (Argentina)

    2012-11-15

    Upper bounds for the violation of the Weak Equivalence Principle (WEP) by the fundamental interactions have been given before. We now recompute the limits on the parameters measuring the strength of the violation with the whole set of high accuracy Eoetvoes experiments. Besides, limits on spatial variation of the fundamental constants {alpha}, sin{sup 2}{theta}{sub W} and v, the vacuum expectation value of the Higgs field, are found in a model independent way. Limits on other parameters in the gauge sector are also found from the structure of the Standard Model.

  10. The effect of daily challenges in children with autism on parents' couple problem-solving interactions.

    Science.gov (United States)

    Hartley, Sigan L; Papp, Lauren M; Blumenstock, Shari M; Floyd, Frank; Goetz, Greta L

    2016-09-01

    The vulnerability-stress-adaptation model guided this examination of the impact of daily fluctuations in the symptoms and co-occurring behavior problems of children with autism spectrum disorder (ASD) on parents' couple problem-solving interactions in natural settings and as these interactions spontaneously occur. A 14-day daily diary was completed by mothers and fathers in 176 families who had a child with ASD. On each day of the diary, parents separately reported on the child with ASD's daily level of symptoms and co-occurring behavior problems and the topic and level of negative affect in their most meaningful or important daily couple problem-solving interaction. Multilevel modeling was used to account for the within-person, within-couple nested structure of the data. Results indicated that many parents are resilient to experiencing a day with a high level of child ASD symptoms and co-occurring behavior problems and do not report more negative couple problem-solving interactions. However, household income, level of parental broader autism phenotype, and presence of multiple children with special care needs served as vulnerability factors in that they were related to a higher overall rating of negative affect in couple interactions and moderated the impact of reporting a day with a high level of child ASD symptoms and co-occurring behavior problems on next-day ratings of negative couple problem-solving interactions. The magnitude of these effects was small. Understanding mechanisms that support adaptive couple interactions in parents of children with ASD is critical for promoting best outcomes. (PsycINFO Database Record

  11. Quantifying interactions between real oscillators with information theory and phase models: Application to cardiorespiratory coupling

    Science.gov (United States)

    Zhu, Yenan; Hsieh, Yee-Hsee; Dhingra, Rishi R.; Dick, Thomas E.; Jacono, Frank J.; Galán, Roberto F.

    2013-01-01

    Interactions between oscillators can be investigated with standard tools of time series analysis. However, these methods are insensitive to the directionality of the coupling, i.e., the asymmetry of the interactions. An elegant alternative was proposed by Rosenblum and collaborators [M. G. Rosenblum, L. Cimponeriu, A. Bezerianos, A. Patzak, and R. Mrowka, Phys. Rev. E 65, 041909 (2002); M. G. Rosenblum and A. S. Pikovsky, Phys. Rev. E 64, 045202 (2001)] which consists in fitting the empirical phases to a generic model of two weakly coupled phase oscillators. This allows one to obtain the interaction functions defining the coupling and its directionality. A limitation of this approach is that a solution always exists in the least-squares sense, even in the absence of coupling. To preclude spurious results, we propose a three-step protocol: (1) Determine if a statistical dependency exists in the data by evaluating the mutual information of the phases; (2) if so, compute the interaction functions of the oscillators; and (3) validate the empirical oscillator model by comparing the joint probability of the phases obtained from simulating the model with that of the empirical phases. We apply this protocol to a model of two coupled Stuart-Landau oscillators and show that it reliably detects genuine coupling. We also apply this protocol to investigate cardiorespiratory coupling in anesthetized rats. We observe reciprocal coupling between respiration and heartbeat and that the influence of respiration on the heartbeat is generally much stronger than vice versa. In addition, we find that the vagus nerve mediates coupling in both directions. PMID:23496550

  12. Weyl spin-orbit-coupling-induced interactions in uniform and trapped atomic quantum fluids

    Science.gov (United States)

    Gupta, Reena; Singh, G. S.; Bosse, Jürgen

    2013-11-01

    We establish through analytical and numerical studies of thermodynamic quantities for noninteracting atomic gases that the isotropic three-dimensional spin-orbit coupling, the Weyl coupling, induces interaction which counters “effective” attraction (repulsion) of the exchange symmetry present in zero-coupling Bose (Fermi) gas. The exact analytical expressions for the grand potential and hence for several thermodynamic quantities have been obtained for this purpose in both uniform and trapped cases. It is enunciated that many interesting features of spin-orbit-coupled systems revealed theoretically can be understood in terms of coupling-induced modifications in statistical interparticle potential. The temperature dependence of the chemical potential, specific heat, and isothermal compressibility for a uniform Bose gas is found to have signature of the incipient Bose-Einstein condensation in the very weak coupling regime although the system does not really go in the Bose-condensed phase. The transition temperature in the harmonically trapped case decreases with an increase of coupling strength consistent with the weakening of the statistical attractive interaction. Anomalous behavior of some thermodynamic quantities, partly akin to that in dimensions less than two, appears for uniform fermions as soon as the Fermi level goes down the Dirac point on increasing the coupling strength. It is suggested that the fluctuation-dissipation theorem can be utilized to verify anomalous behaviors from studies of long-wavelength fluctuations in bunching and antibunching effects.

  13. Dimerization process and elementary excitations in spin-Peierls chains coupled by frustrated interactions

    Energy Technology Data Exchange (ETDEWEB)

    Mastrogiuseppe, D; Gazza, C; Dobry, A [Facultad de Ciencias Exactas IngenierIa y Agrimensura, Universidad Nacional de Rosario and Instituto de Fisica Rosario, Boulevard 27 de Febrero 210 bis, 2000 Rosario (Argentina)], E-mail: dmastro@ifir.edu.ar

    2008-04-02

    We consider the ground state and the elementary excitations of an array of spin-Peierls chains coupled by elastic and magnetic interactions. It is expected that the effect of the magnetic interchain coupling will be to reduce the dimerization amplitude and that of the elastic coupling will be to confine the spin one-half solitons corresponding to each isolated chain. We show that this is the case when these interactions are not frustrated. On the other hand, in the frustrated case we show that the amplitude of dimerization in the ground state is independent of the strength of the interchain magnetic interaction in a broad range of values of this parameter. We also show that free solitons could be the elementary excitations when only nearest neighbour interactions are considered. The case of an elastic interchain coupling is analysed on a general energetic consideration. To study the effect of the magnetic interchain interaction the problem is simplified to a two-leg ladder, which is solved using density matrix renormalization group (DMRG) calculations. We show that the deconfinement mechanism is effective even with a significantly strong antiferromagnetic interchain coupling.

  14. Electronic coupling through natural amino acids

    Energy Technology Data Exchange (ETDEWEB)

    Berstis, Laura; Beckham, Gregg T., E-mail: michael.crowley@nrel.gov, E-mail: gregg.beckham@nrel.gov; Crowley, Michael F., E-mail: michael.crowley@nrel.gov, E-mail: gregg.beckham@nrel.gov [National Renewable Energy Laboratory, National Bioenergy Center, 15013 Denver West Pkwy, Golden, Colorado 80401 (United States)

    2015-12-14

    Myriad scientific domains concern themselves with biological electron transfer (ET) events that span across vast scales of rate and efficiency through a remarkably fine-tuned integration of amino acid (AA) sequences, electronic structure, dynamics, and environment interactions. Within this intricate scheme, many questions persist as to how proteins modulate electron-tunneling properties. To help elucidate these principles, we develop a model set of peptides representing the common α-helix and β-strand motifs including all natural AAs within implicit protein-environment solvation. Using an effective Hamiltonian strategy with density functional theory, we characterize the electronic coupling through these peptides, furthermore considering side-chain dynamics. For both motifs, predictions consistently show that backbone-mediated electronic coupling is distinctly sensitive to AA type (aliphatic, polar, aromatic, negatively charged and positively charged), and to side-chain orientation. The unique properties of these residues may be employed to design activated, deactivated, or switch-like superexchange pathways. Electronic structure calculations and Green’s function analyses indicate that localized shifts in the electron density along the peptide play a role in modulating these pathways, and further substantiate the experimentally observed behavior of proline residues as superbridges. The distinct sensitivities of tunneling pathways to sequence and conformation revealed in this electronic coupling database help improve our fundamental understanding of the broad diversity of ET reactivity and provide guiding principles for peptide design.

  15. Coupled effects of local movement and global interaction on contagion

    Science.gov (United States)

    Zhong, Li-Xin; Xu, Wen-Juan; Chen, Rong-Da; Qiu, Tian; Shi, Yong-Dong; Zhong, Chen-Yang

    2015-10-01

    By incorporating segregated spatial domain and individual-based linkage into the SIS (susceptible-infected-susceptible) model, we propose a generalized epidemic model which can change from the territorial epidemic model to the networked epidemic model. The role of the individual-based linkage between different spatial domains is investigated. As we adjust the timescale parameter τ from 0 to unity, which represents the degree of activation of the individual-based linkage, three regions are found. Within the region of 0 region of 0.02 region of 0.5 eye on the first region, the role of activating the individual-based linkage in the present model is similar to the role of the shortcuts in the two-dimensional small world network. Only activating a small number of the individual-based linkage can prompt the outbreak of the epidemic globally. The role of narrowing segregated spatial domain and reducing mobility in epidemic control is checked. These two measures are found to be conducive to curbing the spread of infectious disease only when the global interaction is suppressed. A log-log relation between the change in the number of infected individuals and the timescale τ is found. By calculating the epidemic threshold and the mean first encounter time, we heuristically analyze the microscopic characteristics of the propagation of the epidemic in the present model.

  16. Electromagnetic interactions in a pair of coupled split-ring resonators

    Science.gov (United States)

    Seetharaman, S. S.; King, C. G.; Hooper, I. R.; Barnes, W. L.

    2017-08-01

    Split-ring resonators (SRRs) are a fundamental building block of many electromagnetic metamaterials. Typically the response of a metamaterial is assumed to be independent of interelement interactions in the material. We show that SRRs in close proximity to each other exhibit a rich coupling that involves both electric and magnetic interactions. We study experimentally and computationally the strength and nature of the coupling between two identical SRRs as a function of their separation and relative orientation. We characterize the electric and magnetic couplings and find that, when SRRs are close enough to be in each other's near field, the electric and magnetic couplings may either reinforce each other or act in opposition. At larger separations retardation effects become important.

  17. In and out of a daydream: attachment orientations, daily couple interactions, and sexual fantasies.

    Science.gov (United States)

    Birnbaum, Gurit E; Mikulincer, Mario; Gillath, Omri

    2011-10-01

    In this study, the authors examined the contribution of attachment orientations to the content of daily sexual fantasies. The two partners of 48 couples independently reported on their attachment orientations and provided daily reports on relationship interactions and sexual fantasies for a period of 21 days. Results showed that attachment anxiety was associated with wishes for intimacy and representations of others as more affectionate in sexual fantasies. Conversely, avoidant attachment was associated with avoidance-related wishes and representations of the self and others as more aggressive and alienated. Negative couple interactions increased habitual attachment-related wishes and self-representations. Specifically, during days characterized by negative couple interactions (relationship-damaging behaviors), attachment anxiety was associated with portrayal of the self as more helpless and avoidant attachment was associated with the expression of more avoidant wishes and portrayal of the self as less helpless. The discussion focuses on the manifestations of attachment-related interpersonal goals in sexual fantasies.

  18. PT-symmetric coupler with a coupling defect: soliton interaction with exceptional point

    CERN Document Server

    Bludov, Yuli V; Huang, Guoxiang; Konotop, Vladimir V

    2014-01-01

    We study interaction of a soliton in a parity-time (PT) symmetric coupler which has local perturbation of the coupling constant. Such a defect does not change the PT-symmetry of the system, but locally can achieve the exceptional point. We found that the symmetric solitons after interaction with the defect either transform into breathers or blow up. The dynamics of anti-symmetric solitons is more complex, showing domains of successive broadening of the beam and of the beam splitting in two outwards propagating solitons, in addition to the single breather generation and blow up. All the effects are preserved when the coupling strength in the center of the defect deviates from the exceptional point. If the coupling is strong enough the only observable outcome of the soliton-defect interaction is the generation of the breather.

  19. The role of multipoles in counterion-mediated interactions between charged surfaces: strong and weak coupling

    Energy Technology Data Exchange (ETDEWEB)

    Kanduc, M; Podgornik, R [Department of Theoretical Physics, J Stefan Institute, SI-1000 Ljubljana (Slovenia); Naji, A [Department of Physics, Department of Chemistry and Biochemistry, Materials Research Laboratory, University of California, Santa Barbara, CA 93106 (United States); Jho, Y S; Pincus, P A [Materials Research Laboratory, University of California, Santa Barbara, CA 93106 (United States)

    2009-10-21

    We present general arguments for the importance, or lack thereof, of structure in the charge distribution of counterions for counterion-mediated interactions between bounding symmetrically charged surfaces. We show that on the mean field or weak coupling level, the charge quadrupole contributes the lowest order modification to the contact value theorem and thus to the intersurface electrostatic interactions. The image effects are non-existent on the mean field level even with multipoles. On the strong coupling level the quadrupoles and higher order multipoles contribute additional terms to the interaction free energy only in the presence of dielectric inhomogeneities. Without them, the monopole is the only multipole that contributes to the strong coupling electrostatics. We explore the consequences of these statements in all their generality.

  20. COUPLING PATTERNS OF AIR-SEA INTERACTION AT MIDDLE & LOWER LATITUDES AND THEIR INTERDECADAL OSCILLATION

    Institute of Scientific and Technical Information of China (English)

    朱艳峰; 丁裕国; 何金海

    2002-01-01

    Diagnostic studies have been done of the seasonal and interdecadal variations of the coupling patterns for the air-sea interactions in the northern Pacific region, by using 500-hPa geopotential height field of the Northern Hemisphere and monthly mean SST field of northern Pacific Ocean (1951 ~ 1995) and with the aid of the Singular Value Decomposition (SVD) technique. The results show that: (1) The distribution patterns of SVD, which link with the El Nifo (or La Nina) events, are important in the interaction between the atmosphere and ocean while the atmosphere, coupling with it, varies like the PNA teleconnection does. The coupling of airsea interactions is the highest in the winter (January), specifically linking the El Nino event with the PNA pattern in the geopotential height field. Of the four seasons, summer has the poorest coupling when the 500-hPa geopotential height field corresponding to the La Nina event displays patterns similar to the East Asian-Pacific one (PJ). The spring and autumn are both transitional and the coupling is less tight in the autumn than in the spring. (2) Significant changes have taken place around 1976 in the pattern of air-sea coupling, with the year's winter having intensified PNA pattern of 500-hPa winter geopotential height field, deepened Aleutian low that moves southeast and the summer following it having outstanding PJ pattern of 500-hPa geopotential height field.which is not so before 1976.

  1. Couples coping with chronic pain: How do intercouple interactions relate to pain coping?

    Science.gov (United States)

    Prenevost, Mathilde Hallingstad; Reme, Silje Endresen

    2017-07-01

    Pain is not merely an isolated experience occurring within the person. It takes place in a wider social context, including the immediate social relationships that the person is a part of. The aim of this paper is to provide an overview of how intercouple interactions might influence pain coping in couples coping with chronic pain. Four different approaches to understanding the influence of intercouple interactions have been proposed in the literature. In this review, we present and discuss the empirical support for each of these models. A literature search on all studies published up until May 2017 (PubMed and PsycINFO) was performed. The search string consisted of 3 steps: Chronic pain AND couple interaction*/partner validation/marital interaction/chronic pain couple*/spouse response* AND coping/adjustment/disability/function/work participation/sick leave/sickness absence/work disability. The operant model views partner responses from the perspective of conditioned learning and focuses on how such responses might increase or decrease the occurrence of pain behaviour. The notion that partner responses can reinforce pain behaviour generally finds support in the literature. However, when it comes to negative partner responses results are mixed, and the model paints a limited picture of the range of interactions that takes place in a couple. The communal coping model focuses on one specific type of coping (i.e. catastrophizing), and emphasizes the interpersonal aspect of pain coping. There is some evidence that a tendency to catastrophize is related both to couple interactions and pain coping, but it has proved difficult to test this model empirically. The interpersonal process model of intimacy is concerned with patient disclosures of distress and subsequent validating and invalidating partner responses. There is some preliminary support that such mechanisms of validation and invalidation can be linked to pain coping. A dyadic approach focuses on processes where the

  2. Stability and Chaos of Two Coupled Bose-Einstein Condensates with Three-Body Interaction

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    We study the dynamics of two Bose-Einstein condensates (BECs) tunnel-coupled by a double-well potential.A real three-body interaction term is considered and a two-mode approximation is used to derive two coupled equations,which describe the relative population and relative phase. By solving the equations and analyzing the stability of the system, we find the stable stationary solutions for a constant atomic scattering length. When a periodically time-varying scattering length is applied, Melnikov analysis and numerical calculation demonstrate the existence of chaotic behavior and the dependence of chaos on the three-body interaction parameters.

  3. Highly asymmetric interaction forces induced by acoustic waves in coupled plate structures

    CERN Document Server

    Fan, Xiying; Zhang, Shenwei; Ke, Manzhu; Liu, Zhengyou

    2015-01-01

    Mutual forces can be induced between coupled structures when illuminated by external acoustic waves. In this Letter, we propose a concept of asymmetric interaction between two coupled plate-like structures, which is generated by oppositely incident plane waves. Besides the striking contrast in magnitude, the mutual force induced by one of the incidences can be tuned extremely strong due to the resonant excitation of the flexural plate modes. The highly asymmetric interaction with enhanced strength in single side should be potentially useful, such as in designing ultrasound instruments and sensors.

  4. PDZ domain-mediated interactions of G protein-coupled receptors with postsynaptic density protein 95

    DEFF Research Database (Denmark)

    Møller, Thor C; Wirth, Volker F; Roberts, Nina Ingerslev;

    2013-01-01

    G protein-coupled receptors (GPCRs) constitute the largest family of membrane proteins in the human genome. Their signaling is regulated by scaffold proteins containing PDZ domains, but although these interactions are important for GPCR function, they are still poorly understood. We here present...... with colocalization of the full-length proteins in cells and with previous studies, we suggest that the range of relevant interactions might extend to interactions with K i = 450 µM in the in vitro assays. Within this range, we identify novel PSD-95 interactions with the chemokine receptor CXCR2, the neuropeptide Y...

  5. Running coupling in electroweak interactions of leptons from f(R)-gravity with torsion

    CERN Document Server

    Capozziello, Salvatore; Fabbri, Luca; Vignolo, Stefano

    2012-01-01

    The f(R)-gravitational theory with torsion is considered for one family of leptons; it is found that the torsion tensor gives rise to interactions having the structure of the weak forces while the intrinsic non-linearity of the f(R) function provides an energy-dependent coupling: in this way, torsional f(R) gravity naturally generates both structure and strength of the electroweak interactions among leptons. This implies that the weak interactions among the lepton fields could be addressed as a geometric effect due to the interactions among spinors induced by the presence of torsion in the most general f(R) gravity. Phenomenological considerations are addressed.

  6. Running coupling in electroweak interactions of leptons from f(R)-gravity with torsion

    Energy Technology Data Exchange (ETDEWEB)

    Capozziello, Salvatore; De Laurentis, Mariafelicia [Universita di Napoli ' ' Federico II' ' , Dipartimento di Scienze Fisiche, Napoli (Italy); INFN Sez. di Napoli, Napoli (Italy); Fabbri, Luca [Universita di Genova, DIPTEM Sez. Metodi e Modelli Matematici, Genova (Italy); INFN Sez. di Bologna, Bologna (Italy); Universita di Bologna, Dipartimento di Fisica, Bologna (Italy); Vignolo, Stefano [Universita di Genova, DIPTEM Sez. Metodi e Modelli Matematici, Genova (Italy)

    2012-02-15

    The f(R)-gravitational theory with torsion is considered for one family of leptons; it is found that the torsion tensor gives rise to interactions having the structure of the weak forces, while the intrinsic non-linearity of the f(R) function provides an energy-dependent coupling: in this way, torsional f(R) gravity naturally generates both structure and strength of the electroweak interactions among leptons. This implies that the weak interactions among the lepton fields could be addressed as a geometric effect due to the interactions among spinors induced by the presence of torsion in the most general f(R) gravity. Phenomenological considerations are given. (orig.)

  7. Fluid structure interaction solver coupled with volume of fluid method for two-phase flow simulations

    Science.gov (United States)

    Cerroni, D.; Fancellu, L.; Manservisi, S.; Menghini, F.

    2016-06-01

    In this work we propose to study the behavior of a solid elastic object that interacts with a multiphase flow. Fluid structure interaction and multiphase problems are of great interest in engineering and science because of many potential applications. The study of this interaction by coupling a fluid structure interaction (FSI) solver with a multiphase problem could open a large range of possibilities in the investigation of realistic problems. We use a FSI solver based on a monolithic approach, while the two-phase interface advection and reconstruction is computed in the framework of a Volume of Fluid method which is one of the more popular algorithms for two-phase flow problems. The coupling between the FSI and VOF algorithm is efficiently handled with the use of MEDMEM libraries implemented in the computational platform Salome. The numerical results of a dam break problem over a deformable solid are reported in order to show the robustness and stability of this numerical approach.

  8. Magnetic interactions in exchange-coupled yet unbiased IrMn/NiCu bilayers

    Science.gov (United States)

    Cichelero, R.; Harres, A.; Sossmeier, K. D.; Schmidt, J. E.; Geshev, J.

    2013-10-01

    This paper reports experimental and model magnetization results obtained on exchange-coupled ferromagnet/antiferromagnet (FM/AF) bilayers that show zero net bias. The coercivity of the films, either irradiated with He or implanted with Ge ions at 40 keV, varies significantly with the fluence used. We employed the remanence plots technique in order to estimate the nature of the interactions present and check if there exists a correlation between their type and the coercivity variations. The analysis of the remanence plots through numerical simulations based on the Landau-Lifshitz-Gilbert equation demonstrated that outcomes of interactions within the FM layer could be distinguished from those coming from coupling at the FM/AF interface and that demagnetizing interaction effects could be achieved without the presence of dipolar interactions. Our findings indicate that such experiments could give selective information on modifications caused by a post-deposition treatment in each layer of the film.

  9. Ultrafast photon-photon interaction in a strongly coupled quantum dot-cavity system

    CERN Document Server

    Englund, Dirk; Bajcsy, Michal; Faraon, Andrei; Petroff, Pierre; vuckovic, Jelena

    2011-01-01

    We study dynamics of the interaction between two weak light beams mediated by a strongly coupled quantum dot-photonic crystal cavity system. First, we perform all optical switching of a weak continuous-wave signal with a pulsed control beam, and then perform switching between two pulsed beams (40ps pulses) at the single photon level. Our results show that the quantum dot-nanocavity system creates strong, controllable interactions at the single photon level.

  10. Spin-orbit interaction induced current dip in a single quantum dot coupled to a spin

    Science.gov (United States)

    Giavaras, G.

    2017-03-01

    Experiments on semiconductor quantum dot systems have demonstrated the coupling between electron spins in quantum dots and spins localized in the neighboring area of the dots. Here we show that in a magnetic field the electrical current flowing through a single quantum dot tunnel-coupled to a spin displays a dip at the singlet-triplet anticrossing point which appears due to the spin-orbit interaction. We specify the requirements for which the current dip is formed and examine the properties of the dip for various system parameters, such as energy detuning, spin-orbit interaction strength, and coupling to leads. We suggest a parameter range in which the dip could be probed.

  11. PDZ domain-mediated interactions of G protein-coupled receptors with postsynaptic density protein 95

    DEFF Research Database (Denmark)

    Møller, Thor C; Wirth, Volker F; Roberts, Nina Ingerslev;

    2013-01-01

    G protein-coupled receptors (GPCRs) constitute the largest family of membrane proteins in the human genome. Their signaling is regulated by scaffold proteins containing PDZ domains, but although these interactions are important for GPCR function, they are still poorly understood. We here present...

  12. Phonon interaction of electron in the translation-invariant strong-coupling theory

    OpenAIRE

    Lakhno, Victor D.

    2015-01-01

    A dependence of phonon interaction on the interelectronic distance is found for a translation-invariant (TI) strong-coupling bipolaron. It is shown that the charge induced by the electrons in a TI-bipolaron state is always greater than that in a bipolaron with spontaneously broken symmetry.

  13. Interaction and Relationship Development in Stable Young Couples: Effects of Positive Engagement, Psychological Aggression, and Withdrawal

    Science.gov (United States)

    Laurent, Heidemarie K.; Kim, Hyoun K.; Capaldi, Deborah M.

    2008-01-01

    This study tested associations among observed interaction patterns and relationship satisfaction in a subsample of young at-risk couples (n=47) from the Oregon Youth Study who remained stable over 7 years; each partner's positive engagement, psychological aggression, and withdrawal within a particular conflict structure (his vs. her topic) was…

  14. Study on Fluid-Lining-Rock Coupling Interaction of Diversion Tunnel under Seismic Load

    Directory of Open Access Journals (Sweden)

    Jian Deng

    2015-01-01

    Full Text Available Fluid-lining-rock coupling interaction of diversion tunnel under seismic load is a critical problem in seismic research which should be solved urgently. Based on the explicit finite element method for dynamic analysis of single-phase fluid and solid medium and combining with the boundary conditions of coupling interface, a dynamic explicit finite element solving format of diversion tunnel considering fluid-lining coupling interaction is established. In light of the basic theory of dynamic contact force method and applying the nonlinear hyperbolic constitutive model of contact surface, a dynamic explicit finite element time-domain integral equation of combined bearing of lining and surrounding rocks, which takes the bond-slip behavior of the contact surface into account, is put forward. Meanwhile, considering the dynamic interaction process of inner water and lining, lining and surrounding rocks, an explicit finite element numerical simulation analysis method of fluid-lining-rock coupling interaction of diversion tunnel under seismic load is presented. The calculation results of case study reasonably reflect the seismic response characteristics of diversion tunnel, and an effective analysis method is provided for the aseismic design of hydraulic tunnel.

  15. Parallel Exploration of Interaction Space by BioID and Affinity Purification Coupled to Mass Spectrometry.

    Science.gov (United States)

    Hesketh, Geoffrey G; Youn, Ji-Young; Samavarchi-Tehrani, Payman; Raught, Brian; Gingras, Anne-Claude

    2017-01-01

    Complete understanding of cellular function requires knowledge of the composition and dynamics of protein interaction networks, the importance of which spans all molecular cell biology fields. Mass spectrometry-based proteomics approaches are instrumental in this process, with affinity purification coupled to mass spectrometry (AP-MS) now widely used for defining interaction landscapes. Traditional AP-MS methods are well suited to providing information regarding the temporal aspects of soluble protein-protein interactions, but the requirement to maintain protein-protein interactions during cell lysis and AP means that both weak-affinity interactions and spatial information is lost. A more recently developed method called BioID employs the expression of bait proteins fused to a nonspecific biotin ligase, BirA*, that induces in vivo biotinylation of proximal proteins. Coupling this method to biotin affinity enrichment and mass spectrometry negates many of the solubility and interaction strength issues inherent in traditional AP-MS methods, and provides unparalleled spatial context for protein interactions. Here we describe the parallel implementation of both BioID and FLAG AP-MS allowing simultaneous exploration of both spatial and temporal aspects of protein interaction networks.

  16. Bose-Bose mixtures with synthetic spin-orbit coupling in optical lattices

    Science.gov (United States)

    He, Liang; Ji, Anchun; Hofstetter, Walter

    2015-08-01

    We investigate the ground-state properties of Bose-Bose mixtures with Rashba-type spin-orbit (SO) coupling in a square lattice. The system displays rich physics from the deep Mott insulator (MI) all the way to the superfluid (SF) regime. In the deep MI regime, exotic spin-ordered phases arise due to the effective Dzyaloshinskii-Moriya type of superexchange interactions. By employing the nonperturbative bosonic dynamical mean-field theory (BDMFT), we numerically study and establish the stability of these magnetic phases against increasing hopping amplitude. We show that as hopping is increased across the MI to SF transition, exotic superfluid phases with magnetic textures emerge. In particular, we identify an exotic spin-spiral magnetic texture with spatial period 3 in the superfluid close to the MI-SF transition.

  17. Re-visit local coupling correction in the interaction regions of RHIC

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Y.; Fischer, W.; Liu, C.; Marusic, A.; Minty, M.; Ptitsyn, V.; Schoefer, V.; Tepikian, S.; Trbojevic, D.; Zimmer, C.

    2011-11-01

    In this article we will re-visit the local coupling correction in the interaction regions (IRs) of the Relativistic Heavy Ion Collider (RHIC). We will review the measurement data of triplet quadrupole rolls, the local coupling correction strengths in the RHIC control system, and the methods for the local coupling correction with local skew quadrupole correctors. Based on the in-turnnel measurement data of triplet roll errors in 2011, we will analytically calculate and simulate IR-bump method to find out the local skew correction strengths and compare them at store and at injection with the Blue and Yellow ring lattices in the 2011 polarized proton (p-p) and Au-Au runs. The vertical dispersion from the triplet roll errors, local and global coupling correction skew quadrupoles, and the vertical dipole correctors are calculated and discussed.

  18. Vibronic coupling effect on circular dichroism spectrum: Carotenoid-retinal interaction in xanthorhodopsin

    Science.gov (United States)

    Fujimoto, Kazuhiro J.; Balashov, Sergei P.

    2017-03-01

    The role of vibronic coupling of antenna carotenoid and retinal in xanthorhodopsin (XR) in its circular dichroism (CD) spectrum is examined computationally. A vibronic exciton model combined with a transition-density-fragment interaction (TDFI) method is developed, and applied to absorption and CD spectral calculations of XR. The TDFI method is based on the electronic Coulomb and exchange interactions between transition densities for individual chromophores [K. J. Fujimoto, J. Chem. Phys. 137, 034101 (2012)], which provides a quantitative description of electronic coupling energy. The TDFI calculation reveals a dominant contribution of the Coulomb interaction to the electronic coupling energy and a negligible contribution of the exchange interaction, indicating that the antenna function of carotenoid results from the Förster type of excitation-energy transfer, not from the Dexter one. The calculated absorption and CD spectra successfully reproduce the main features of the experimental results, which allow us to investigate the mechanism of biphasic CD spectrum observed in XR. The results indicate that vibronic coupling between carotenoid and retinal plays a significant role in the shape of the CD spectrum. Further analysis reveals that the negative value of electronic coupling directly contributes to the biphasic shape of CD spectrum. This study also reveals that the C6—C7 bond rotation of salinixanthin is not the main factor for the biphasic CD spectrum although it gives a non-negligible contribution to the spectral shift. The present method is useful for analyzing the molecular mechanisms underlying the chromophore-chromophore interactions in biological systems.

  19. The effect of uniaxial crystal-field anisotropy on magnetic properties of the superexchange antiferromagnetic Ising model

    Directory of Open Access Journals (Sweden)

    L.Canová

    2006-01-01

    Full Text Available The generalized Fisher super-exchange antiferromagnetic model with uniaxial crystal-field anisotropy is exactly investigated using an extended mapping technique. An exact relation between partition function of the studied system and that of the standard zero-field spin-1/2 Ising model on the corresponding lattice is obtained applying the decoration-iteration transformation. Consequently, exact results for all physical quantities are derived for arbitrary spin values S of decorating atoms. Particular attention is paid to the investigation of the effect of crystal-field anisotropy and external longitudinal magnetic field on magnetic properties of the system under investigation. The most interesting numerical results for ground-state and finite-temperature phase diagrams, thermal dependences of the sublattice magnetization and other thermodynamic quantities are discussed.

  20. An Updated Coupled Model for Land-Atmosphere Interaction. Part Ⅰ: Simulations of Physical Processes

    Institute of Scientific and Technical Information of China (English)

    ZENG Hongling; WANG Zaizhi; JI Jinjun; WU Guoxiong

    2008-01-01

    A new two-way land-atmosphere interaction model (R42_AVIM) is fulfilled by coupling the spectral at- mospheric model (SAMIL_R42L9) developed at the State Key Laboratory of Numerical Modeling for Atmo- spheric Sciences and Geophysical Fluid Dynamics, Institute of Atmospheric Physics, Chinese Academy of Sci- ences (LASG/IAP/CAS) with the land surface model, Atmosphere-Vegetation-Interaction-Model (AVIM). In this coupled model, physical and biological components of AVIM are both included. Climate base state and land surface physical fluxes simulated by R42_AVIM are analyzed and compared with the results of R42_SSIB [which is coupled by SAMIL_R42L9 and Simplified Simple Biosphere (SSIB) models]. The results show the performance of the new model is closer to the observations. It can basically guarantee that the land surface energy budget is balanced, and can simulate June-July-August (JJA) and December-January- February (DJF) land surface air temperature, sensible heat flux, latent heat flux, precipitation, sea level pressure and other variables reasonably well. Compared with R42_SSIB, there are obvious improvements in the JJA simulations of surface air temperature and surface fluxes. Thus, this land-atmosphere coupled model will offer a good experiment platform for land-atmosphere interaction research.

  1. The consistent Riccati expansion and new interaction solution for a Boussinesq-type coupled system

    Science.gov (United States)

    Ruan, Shao-Qing; Yu, Wei-Feng; Yu, Jun; Yu, Guo-Xiang

    2015-06-01

    Starting from the Davey-Stewartson equation, a Boussinesq-type coupled equation system is obtained by using a variable separation approach. For the Boussinesq-type coupled equation system, its consistent Riccati expansion (CRE) solvability is studied with the help of a Riccati equation. It is significant that the soliton-cnoidal wave interaction solution, expressed explicitly by Jacobi elliptic functions and the third type of incomplete elliptic integral, of the system is also given. Project supported by the National Natural Science Foundation of China (Grant No. 11275129).

  2. Azobenzene dye-coupled quadruply hydrogen-bonding modules as colorimetric indicators for supramolecular interactions

    Directory of Open Access Journals (Sweden)

    Yagang Zhang

    2012-04-01

    Full Text Available The facile coupling of azobenzene dyes to the quadruply hydrogen-bonding modules 2,7-diamido-1,8-naphthyridine (DAN and 7-deazaguanine urea (DeUG is described. The coupling of azobenzene dye 2 to mono-amido DAN units 4, 7, and 9 was effected by classic 4-(dimethylaminopyridine (DMAP-catalyzed peptide synthesis with N-(3-dimethylaminopropyl-N’-ethyl carbodiimide hydrochloride (EDC as activating agent, affording the respective amide products 5, 8, and 10 in 60–71% yield. The amide linkage was formed through either the aliphatic or aromatic ester group of 2, allowing both the flexibility and absorption maximum to be tuned. Azobenzene dye 1 was coupled to the DeUG unit 11 by Steglich esterification to afford the product amide 12 in 35% yield. Alternatively, azobenzene dye 16 underwent a room-temperature copper-catalyzed azide–alkyne Huisgen cycloaddition with DeUG alkyne 17 to give triazole 18 in 71% yield. Azobenzene coupled DAN modules 5, 8, and 10 are bright orange–red in color, and azobenzene coupled DeUG modules 12 and 18 are orange–yellow in color. Azobenzene coupled DAN and DeUG modules were successfully used as colorimetric indicators for specific DAN–DeUG and DAN–UPy (2-ureido-4(1H-pyrimidone quadruply hydrogen-bonding interactions.

  3. Ocean-Atmosphere Interaction in the Lifecycle of ENSO: The Coupled Wave Oscillator

    Institute of Scientific and Technical Information of China (English)

    Jialin LIN

    2009-01-01

    To explain the oscillatory nature of E1 Nino/Southern Oscillation (ENSO), many ENSO theories emphasize the free oceanic equatorial waves propagating/reflecting within the Pacific Ocean, or the discharge/recharge of Pacific-basin-averaged ocean heat content. ENSO signals in the Indian and Atlantic oceans are often considered as remote response to the Pacific SST anomaly through atmospheric teleconnections. This study investigates the ENSO life cycle near the equator using long-term observational datasets. Space-time spectral analysis is used to identify and isolate the dominant interannual oceanic and atmospheric wave modes associated with ENSO. Nino3 SST anomaly is utilized as the ENSO index, and lag-correlation/regression are used to construct the composite ENSO life cycle. The propagation, structure and feedback mechanisms of the dominant wave modes are studied in detail. The results show that the dominant oceanic equatorial wave modes associated with ENSO are not free waves, but are two ocean-atmosphere coupled waves including a coupled Kelvin wave and a coupled equatorial Rossby (ER) wave. These waves are not confined only to the Pacific Ocean, but are of planetary scale with zonal wavenumbers 1-2, and propagate all the way around the equator in more than three years, leading to the longer than 3-year period of ENSO. When passing the continents, they become uncoupled atmospheric waves. The coupled Kelvin wave has larger variance than the coupled ER wave, making the total signals dominated by eastward propagation. Surface zonal wind stress (x) acts to slow down the waves. The two coupled waves interact with each other through boundary reflection and superposition, and they also interact with an off-equatorial Rossby wave in north Pacific along 15N through boundary reflection and wind stress forcing. The precipitation anomalies of the two coupled waves meet in the eastern Pacific shortly after the SST maximum of ENSO and excite a dry atmospheric Kelvin wave which

  4. Phonon interaction with coupled photonic-plasmonic modes in a phoxonic cavity

    Directory of Open Access Journals (Sweden)

    S. El-Jallal

    2016-12-01

    Full Text Available We present a theoretical investigation of the acousto-optic interaction in a two-dimensional phoxonic crystal cavity containing a metallic nanowire. The crystal is constituted by a square array of cylindrical holes in a TiO2 matrix containing a cavity inside which a gold nanowire is introduced. The optical modes of the cavity are therefore of combined photonic-plasmonic character. We calculate the strength of coupling between these modes and the localized phonons of the cavity, based on the “Moving Interface” mechanism of acousto-optic coupling. We discuss the coupling strength as a function of the size and position of the metallic nanowire and compare the results with those of a cavity without metallic particle.

  5. Simulation of fluid-structure interaction in micropumps by coupling of two commercial finite element programs

    Science.gov (United States)

    Klein, Andreas; Gerlach, Gerald

    1998-09-01

    This paper deals with the simulation of the fluid-structure interaction phenomena in micropumps. The proposed solution approach is based on external coupling of two different solvers, which are considered here as `black boxes'. Therefore, no specific intervention is necessary into the program code, and solvers can be exchanged arbitrarily. For the realization of the external iteration loop, two algorithms are considered: the relaxation-based Gauss-Seidel method and the computationally more extensive Newton method. It is demonstrated in terms of a simplified test case, that for rather weak coupling, the Gauss-Seidel method is sufficient. However, by simply changing the considered fluid from air to water, the two physical domains become strongly coupled, and the Gauss-Seidel method fails to converge in this case. The Newton iteration scheme must be used instead.

  6. Oxytocin during the initial stages of romantic attachment: relations to couples' interactive reciprocity.

    Science.gov (United States)

    Schneiderman, Inna; Zagoory-Sharon, Orna; Leckman, James F; Feldman, Ruth

    2012-08-01

    Romantic relationships can have a profound effect on adults' health and well-being whereas the inability to maintain intimate bonds has been associated with physical and emotional distress. Studies in monogamous mammalian species underscore the central role of oxytocin (OT) in pair-bonding and human imaging studies implicate OT-rich brain areas in early romantic love. To assess the role of OT in romantic attachment, we examined plasma OT in 163 young adults: 120 new lovers (60 couples) three months after the initiation of their romantic relationship and 43 non-attached singles. Twenty-five of the 36 couples who stayed together were seen again six months later. Couples were observed in dyadic interactions and were each interviewed regarding relationship-related thoughts and behaviors. OT was significantly higher in new lovers compared to singles, F(1,152)=109.33, promantic attachment. These high levels of OT among new lovers did not decrease six months later and showed high individual stability. OT correlated with the couples' interactive reciprocity, including social focus, positive affect, affectionate touch, and synchronized dyadic states, and with anxieties and worries regarding the partner and the relationship, findings which parallel those described for parent-infant bonding. OT levels at the first assessment differentiated couples who stayed together six months later from those who separated during this period. Regression analysis showed that OT predicted interactive reciprocity independent of sex, relationship duration, and the partner's OT. Findings suggest that OT may play an important role at the first stages of romantic attachment and lend support to evolutionary models suggesting that parental and romantic attachment share underlying bio-behavioral mechanisms.

  7. Synchronization in interacting populations of heterogeneous oscillators with time-varying coupling.

    Science.gov (United States)

    So, Paul; Cotton, Bernard C; Barreto, Ernest

    2008-09-01

    In many networks of interest (including technological, biological, and social networks), the connectivity between the interacting elements is not static, but changes in time. Furthermore, the elements themselves are often not identical, but rather display a variety of behaviors, and may come in different classes. Here, we investigate the dynamics of such systems. Specifically, we study a network of two large interacting heterogeneous populations of limit-cycle oscillators whose connectivity switches between two fixed arrangements at a particular frequency. We show that for sufficiently high switching frequency, this system behaves as if the connectivity were static and equal to the time average of the switching connectivity. We also examine the mechanisms by which this fast-switching limit is approached in several nonintuitive cases. The results illuminate novel mechanisms by which synchronization can arise or be thwarted in large populations of coupled oscillators with nonstatic coupling.

  8. Final Report. Coupled simulations of Antarctic Ice-sheet/ocean interactions using POP and CISM

    Energy Technology Data Exchange (ETDEWEB)

    Asay-Davis, Xylar Storm [Potsdam Institute for Climate Impact Research, Potdam (Germany)

    2015-12-30

    The project performed under this award, referred to from here on as CLARION (CoupLed simulations of Antarctic Ice-sheet/Ocean iNteractions), included important advances in two models of ice sheet and ocean interactions. Despite its short duration (one year), the project made significant progress on its three major foci. First, together with collaborator Daniel Martin at Lawrence Berkeley National Laboratory (LBNL), I developed the POPSICLES coupled ice sheet-ocean model to the point where it could perform a number of pan-Antarctic simulations under various forcing conditions. The results were presented at a number of major conferences and workshops worldwide, and are currently being incorporated into two manuscripts in preparation.

  9. Exchange-coupling interaction and effective anisotropy in nanocomposite permanent materials

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Taking Nd2Fe14B/?-Fe as example, the exchange-coupling interactions between magnetically soft and hard grains in nanocomposite permanent materials and their effects on the effective anisotropy of materials were investigated. The calculation results expressed that the exchange- coupling interactions are enhanced with the reduction of grain size, and the effective anisotropy of materials decreases with the reduction of grain size and the increase of magnetically soft phase component. The remanence and the effective anisotropy of materials possess the opposite variation trend with the change of grain size and phase ratio. The mean grain size should be in the range of 10-15 nm and the ratio of soft phase should be less than 50% for getting the magnet with high energy product.

  10. Hyperchaos of two coupled Bose-Einstein condensates with a three-body interaction

    Institute of Scientific and Technical Information of China (English)

    Wang Zhi-Xia; Zhang Xi-He; Shen Ke

    2008-01-01

    We investigate the dynamics of two tunnel-coupled Boee-Einstein condensates(BECs)in a double-well potential.The effects of the three-body recombination loss and the feeding of the condensates from the thermal cloud are studied in the case of attractive interatomic interaction.An imaginary three-body interaction term is considered and a two-mode approximation is used to derive three coupled equations which describe the total atomic numbers of the two condensates,the relative population and relative phase respectively.Theoretical analyses and numerical calculations demonstrate the existence of chaotic and hyperchaotic behaviour by using a periodically time-varying scattering length.

  11. Interacting Dark Matter and q-Deformed Dark Energy Nonminimally Coupled to Gravity

    Directory of Open Access Journals (Sweden)

    Emre Dil

    2016-01-01

    Full Text Available In this paper, we propose a new approach to study the dark sector of the universe by considering the dark energy as an emerging q-deformed bosonic scalar field which is not only interacting with the dark matter, but also nonminimally coupled to gravity, in the framework of standard Einsteinian gravity. In order to analyze the dynamic of the system, we first give the quantum field theoretical description of the q-deformed scalar field dark energy and then construct the action and the dynamical structure of this interacting and nonminimally coupled dark sector. As a second issue, we perform the phase-space analysis of the model to check the reliability of our proposal by searching the stable attractor solutions implying the late-time accelerating expansion phase of the universe.

  12. Coupled quintessence and the impossibility of an interaction: a dynamical analysis study

    Energy Technology Data Exchange (ETDEWEB)

    Bernardi, Fabrizio F.; Landim, Ricardo G. [Universidade de Sao Paulo, Instituto de Fisica, Caixa Postal 66318, Sao Paulo, SP (Brazil)

    2017-05-15

    We analyze the coupled quintessence in the light of the linear dynamical systems theory, with two different interactions: (1) proportional to the energy density of the dark energy and (2) proportional to the sum of the energy densities of the dark matter and dark energy. The results presented here enlarge the previous analyses in the literature, wherein the interaction has been only proportional to the energy density of the dark matter. In the first case it is possible to get the well-known sequence of cosmological eras. For the second interaction only the radiation and the dark-energy era can be described by the fixed points. Therefore, from the point of view of dynamical system theory, the interaction proportional to the sum of the energy densities of the dark matter and dark energy does not describe the universe we live in. (orig.)

  13. Investigating the topology of interacting networks - Theory and application to coupled climate subnetworks

    CERN Document Server

    Donges, Jonathan F; Marwan, Norbert; Zou, Yong; Kurths, Juergen

    2011-01-01

    Network theory provides various tools for investigating the structural or functional topology of many complex systems found in nature, technology and society. Nevertheless, it has recently been realised that a considerable number of systems of interest should be treated, more appropriately, as interacting networks or networks of networks. Here we introduce a novel graph-theoretical framework for studying the interaction structure between subnetworks embedded within a complex network of networks. This framework allows us to quantify the structural role of single vertices or whole subnetworks with respect to the interaction of a pair of subnetworks on local, mesoscopic and global topological scales. Climate networks have recently been shown to be a powerful tool for the analysis of climatological data. Applying the general framework for studying interacting networks, we introduce coupled climate subnetworks to represent and investigate the topology of statistical relationships between the fields of distinct cli...

  14. Coupled quintessence and the impossibility of some interactions: a dynamical analysis study

    CERN Document Server

    Landim, Ricardo G

    2016-01-01

    We analyze the coupled quintessence in the light of the linear dynamical systems theory, with two different interactions: i) proportional to the energy density of the dark energy and ii) proportional to the sum of the energy densities of the dark matter and dark energy. The results presented here enlarge the previous analyses in the literature, wherein the interaction has been only proportional to the energy density of the dark matter. In the first case there is neither an attractor point nor a fixed point that describes the dark-energy-dominated universe for a non-zero interaction. In the second case only the radiation or the dark energy era can be described by the fixed points. Therefore, the results for both interactions imply that these two possibilities do not provide the well-known sequence of cosmological eras.

  15. Personal Well-Being and Family Interactions of Working Couples With Preschool Children: A Correlational Study

    Directory of Open Access Journals (Sweden)

    Danila Secolim Coser

    2013-09-01

    Full Text Available This study’s objective was to verify potential relationships among personal well-being, parental practices, and interactions between parents and preschool children reported by working fathers and mothers ( n = 120, 60 couples from a city in the interior of São Paulo, Brazil. Data were collected using the Questionnaire on family and professional lives. Three scales were selected for data analysis: well-being; interaction between parents and children; and family life. Statistical tests (One-Way ANOVA and Pearson’s correlation coefficient showed negative correlations between child-rearing practices and health problems reported by parents. Positive correlations were also found between reported parental interactions and child-rearing practices. Parental practices and interactions between parents and children varied according to the number of children (one or two.

  16. Effect of exchange-coupling interaction on anisotropy of grain in nanoscaled magnets

    Science.gov (United States)

    Sun, Yan; Gao, Ru-wei; Han, Guang-bing; Liu, Min; Han, Bai-ping

    2007-01-01

    The effect of inter-grain exchange-coupling interaction on the anisotropy of grain in nanoscaled magnets has been investigated by putting forward an expression of anisotropy at grain boundary, K1ij(r), which is suitable for different coupling conditions, and expresses well the coherency between soft and hard grains. The average anisotropy of grain has been calculated based on K1ij(r) and the theory of partial exchange-coupling interaction. It has been found that the average anisotropy of hard or soft grain, or , increases with increasing grain size D monotonously when hard-hard or soft-soft grains couple. When soft-hard grains touch each other, with increasing D, the variation of average anisotropy of soft-hard grain depends on the anisotropy at grain interface K1sh(0), which denotes the affection degree of hard grain on the anisotropy of soft grain. Compared with other results, it is more reasonable that K1sh(0) ranges from 0.5K1h to 0.7K1h. The variations of anisotropy with D we calculated are consistent with those of coercivities given by other authors when K1ij(0) is fixed in a certain range.

  17. A model for a non-minimally coupled scalar field interacting with dark matter

    CERN Document Server

    Binder, J B

    2005-01-01

    In this work we investigate the evolution of a Universe consisted of a scalar field, a dark matter field and non-interacting baryonic matter and radiation. The scalar field, which plays the role of dark energy, is non-minimally coupled to space-time curvature, and drives the Universe to a present accelerated expansion. The non-relativistic dark matter field interacts directly with the dark energy and has a pressure which follows from a thermodynamic theory. We show that this model can reproduce the expected behavior of the density parameters, deceleration parameter and luminosity distance.

  18. Repulsively interacting fermions in a two-dimensional deformed trap with spin-orbit coupling

    DEFF Research Database (Denmark)

    Marchukov, O. V.; Fedorov, D. V.; Jensen, A. S.

    2015-01-01

    We investigate a two-dimensional system of fermions with two internal (spin) degrees of freedom. It is confined by a deformed harmonic trap and subject to a Zeeman field, Rashba or Dresselhaus one-body spin-orbit couplings and two-body short range repulsion. We obtain self-consistent mean-field $...... that cold atoms may be used to study quantum chaos both in the presence and absence of interactions....

  19. Cell-fluid Interaction: Coupling Between the Deformation of an Adherent Leukocyte and the Shear Flow

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    1 IntroductionLeukocyte adhesion is a natural physiopathological phenomenon and the balance between the hemodynamic forces and adhesion forces (molecular bonds) plays a key role. According to hemodynamic theories, blood flow induces the change of the shape and the spatial arrangement of leukocytes. These changes may in turn induce the redistribution of blood flow around the cell. Therefore there exist interaction of the adherent leukocyte with blood flow, which is called as the coupling between the hemodyna...

  20. Solution of the problem of interaction between capacitive coupled radio-frequency discharge and a sample

    Science.gov (United States)

    Chebakova, V. Ju; Gaisin, A. F.; Zheltukhin, V. S.

    2016-11-01

    The numerical study of interaction between the capacitive coupled radio frequency (CCRF) discharge and materials is performed. A nonlinear problem, which includes initialboundary value problems for electron, ion, neutral atom, metastable atom, gas temperature and Poisson's equation is solved. A harmonic voltage on the loaded electrodes and Ohm's law for the sample is assumed. A results of calculations of the model problem at pressure p=760 Torr, frequency of generator f=13.76 MHz in local approximation are presented.

  1. Strong coupling electrostatics for randomly charged surfaces: antifragility and effective interactions

    Science.gov (United States)

    Ghodrat, Malihe; Naji, Ali; Komaie-Moghaddam, Haniyeh; Podgornik, Rudolf

    We study the effective interaction mediated by strongly coupled Coulomb fluids between dielectric surfaces carrying quenched, random monopolar charges with equal mean and variance, both when the Coulomb fluid consists only of mobile multivalent counterions and when it consists of an asymmetric ionic mixture containing multivalent and monovalent (salt) ions in equilibrium with an aqueous bulk reservoir. We analyze the consequences that follow from the interplay between surface charge disorder, dielectric and salt image effects, and the strong electrostatic coupling that results from multivalent counterions on the distribution of these ions and the effective interaction pressure they mediate between the surfaces. In a dielectrically homogeneous system, we show that the multivalent counterions are attracted towards the surfaces with a singular, disorder-induced potential that diverges logarithmically on approach to the surfaces, creating a singular counterion density profile with an algebraic divergence at the surfaces. This effect drives the system towards a state of lower thermal "disorder", one that can be described by a renormalized temperature, exhibiting thus a remarkable antifragility. The interaction pressure acting on the surfaces displays in general a highly non-monotonic behavior as a function of the inter-surface separation with a prominent regime of attraction at small to intermediate separations. This attraction is caused directly by the combined effects from charge disorder and strong coupling electrostatics of multivalent counterions, which can be quite significant even with a small degree of surface charge disorder relative to the mean surface charge. The strong coupling, disorder-induced attraction is typically far more stronger than the van der Waals interaction between the surfaces, especially within a range of several nanometers for the inter-surface separation.

  2. Plasma Diagnostics and Plasma-Surface Interactions in Inductively Coupled Plasmas

    OpenAIRE

    Titus, Monica Joy

    2010-01-01

    The semiconductor industry's continued trend of manufacturing device features on the nanometer scale requires increased plasma processing control and improved understanding of plasma characteristics and plasma-surface interactions. This dissertation presents a series of experimental results for focus studies conducted in an inductively coupled plasma (ICP) system. First novel "on-wafer" diagnostic tools are characterized and related to plasma characteristics. Second, plasma-polymer interactio...

  3. Speciation of cisplatin in environmental water samples by hydrophilic interaction liquid chromatography coupled to inductively coupled plasma mass spectrometry.

    Science.gov (United States)

    Vidmar, Janja; Martinčič, Anže; Milačič, Radmila; Ščančar, Janez

    2015-06-01

    Cisplatin is still widely used for treatment of numerous types of tumours. Different speciation methods have been applied to study behaviour of the intact drug and its individual biotransformation species in various clinical samples. These methods are mainly based on electrophoresis, size exclusion (SEC) or ion chromatography (IC) techniques coupled to inductively coupled plasma mass spectrometry (ICP-MS). Hydrophilic interaction liquid chromatography (HILIC), which is a common technique for separation of polar substances, was rarely applied for separation of cisplatin and its hydrolysed metabolites. There is also a lack of information available on the occurrence of cisplatin and its hydrolysed complexes in the environmental waters. In the present study the concentrations of Pt were determined in hospital wastewaters by ICP-MS. A procedure for separation of cisplatin and its aqueous hydrolysed complexes by the use of HILIC column was optimized. Quantification of separated Pt species was performed by isotope dilution (ID)-ICP-MS procedure. Low limits of detection (LODs) and quantification (LOQs) were obtained for cisplatin and its hydrolysed complexes ranging from 0.0273 to 0.1726 ng Pt/mL and from 0.0909 to 0.5753 ng Pt/mL, respectively. Good repeatability of the procedure with relative standard deviation (RSD) lower than ±2.3% was obtained. The column recoveries, which ranged from 95 to 101%, indicated that the procedure developed enabled quantitative speciation analysis of aqueous cisplatin complexes. The ZIC-HILIC-ID-ICP-MS procedure was successfully applied in speciation of cisplatin in spiked hospital wastewater samples.

  4. An intimate coupling of ocean-atmospheric interaction over the extratropical North Atlantic and Pacific

    Science.gov (United States)

    Li, Chun; Wu, Lixin; Wang, Qi; Qu, Liwei; Zhang, Liping

    2009-05-01

    The inter-basin teleconnection between the North Atlantic and the North Pacific ocean-atmosphere interaction is studied using a coupled ocean-atmosphere general circulation model. In the model, an idealized oceanic temperature anomaly is initiated over the Kuroshio and the Gulf Stream extension region to track the coupled evolution of ocean and atmosphere interaction, respectively. The experiments explicitly demonstrate that both the North Pacific and the North Atlantic ocean-atmosphere interactions are intimately coupled through an inter-basin atmospheric teleconnection. This fast inter-basin communication can transmit oceanic variability between the North Atlantic and the North Pacific through local ocean-to-atmosphere feedbacks. The leading mode of the extratropical atmospheric internal variability plays a dominant role in shaping the hemispheric-scale response forced by oceanic variability over the North Atlantic and Pacific. Modeling results also suggest that a century (two centuries) long observations are necessary for the detection of Pacific response to Atlantic forcings (Atlantic response to Pacific forcing).

  5. A Coupled Fluid-Structure Interaction Analysis of Solid Rocket Motor with Flexible Inhibitors

    Science.gov (United States)

    Yang, H. Q.; West, Jeff

    2014-01-01

    A capability to couple NASA production CFD code, Loci/CHEM, with CFDRC's structural finite element code, CoBi, has been developed. This paper summarizes the efforts in applying the installed coupling software to demonstrate/investigate fluid-structure interaction (FSI) between pressure wave and flexible inhibitor inside reusable solid rocket motor (RSRM). First a unified governing equation for both fluid and structure is presented, then an Eulerian-Lagrangian framework is described to satisfy the interfacial continuity requirements. The features of fluid solver, Loci/CHEM and structural solver, CoBi, are discussed before the coupling methodology of the solvers is described. The simulation uses production level CFD LES turbulence model with a grid resolution of 80 million cells. The flexible inhibitor is modeled with full 3D shell elements. Verifications against analytical solutions of structural model under steady uniform pressure condition and under dynamic condition of modal analysis show excellent agreements in terms of displacement distribution and eigen modal frequencies. The preliminary coupled result shows that due to acoustic coupling, the dynamics of one of the more flexible inhibitors shift from its first modal frequency to the first acoustic frequency of the solid rocket motor.

  6. Spin-orbit coupling effects, interactions and superconducting transport in nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, Andreas

    2010-05-15

    In the present thesis we study the electronic properties of several low dimensional nanoscale systems. In the first part, we focus on the combined effect of spin-orbit coupling (SOI) and Coulomb interaction in carbon nanotubes (CNTs) as well as quantum wires. We derive low energy theories for both systems, using the bosonization technique and obtain analytic expressions for the correlation functions that allow us to compute basically all observables of interest. We first focus on CNTs and show that a four channel Luttinger liquid theory can still be applied when SOI effects are taken into account. Compared to previous formulations, the low-energy Hamiltonian is characterized by different Luttinger parameters and plasmon velocities. Notably, the charge and spin modes are coupled. Our theory allows us to compute an asymptotically exact expression for the spectral function of a metallic carbon nanotube. We find modifications to the previously predicted structure of the spectral function that can in principle be tested by photoemission spectroscopy experiments. We develop a very similar low energy description for an interacting quantum wire subject to Rashba spin-orbit coupling (RSOC). We derive a two component Luttinger liquid Hamiltonian in the presence of RSOC, taking into account all e-e interaction processes allowed by the conservation of total momentum. The effective low energy Hamiltonian includes an additional perturbation due to intraband backscattering processes with band flip. Within a one-loop RG scheme, this perturbation is marginally irrelevant. The fixed point model is then still a two channel Luttinger liquid, albeit with a non standard form due to SOI. Again, the charge and spin mode are coupled. Using our low energy theory, we address the problem of the RKKY interaction in an interacting Rashba wire. The coupling of spin and charge modes due to SO effects implies several modifications, e.g. the explicit dependence of the power-law decay exponent of

  7. Self-organized network of phase oscillators coupled by activity-dependent interactions.

    Science.gov (United States)

    Aoki, Takaaki; Aoyagi, Toshio

    2011-12-01

    We investigate a network of coupled phase oscillators whose interactions evolve dynamically depending on the relative phases between the oscillators. We found that this coevolving dynamical system robustly yields three basic states of collective behavior with their self-organized interactions. The first is the two-cluster state, in which the oscillators are organized into two synchronized groups. The second is the coherent state, in which the oscillators are arranged sequentially in time. The third is the chaotic state, in which the relative phases between oscillators and their coupling weights are chaotically shuffled. Furthermore, we demonstrate that self-assembled multiclusters can be designed by controlling the weight dynamics. Note that the phase patterns of the oscillators and the weighted network of interactions between them are simultaneously organized through this coevolving dynamics. We expect that these results will provide new insight into self-assembly mechanisms by which the collective behavior of a rhythmic system emerges as a result of the dynamics of adaptive interactions.

  8. Indirect exchange interaction in Rashba-spin-orbit-coupled graphene nanoflakes

    Science.gov (United States)

    Nikoofard, Hossein; Semiromi, Ebrahim Heidari

    2016-10-01

    We study the indirect exchange interaction, named Ruderman-Kittel-Kasuya-Yosida (RKKY) coupling, between localized magnetic impurities in graphene nanoflakes with zig-zag edges in the presence of the Rashba spin-orbit interaction (RSOI). We calculate the isotropic and anisotropic RKKY amplitudes by utilizing the tight-binding (TB) model. The RSOI, as a gate tunable variable, is responsible for changes of the RKKY amplitude. We conclude that there is not any switching of the magnetic order (from ferro- to antiferro-magnetic and vice versa) in such a system through the RSOI. The dependence of the RKKY amplitude on the positions of the magnetic impurities and the size of the system is studied. The symmetry breaking, which can occur due to the Rashba interaction, leads to spatial anisotropy in the RKKY amplitude and manifests as collinear and noncollinear terms. Our results show the possibility of control and manipulation of spin correlations in carbon spin-based nanodevices.

  9. Development of multicomponent coupled-cluster method for investigation of multiexcitonic interactions

    CERN Document Server

    Ellis, Benjamin H; Chakraborty, Arindam

    2015-01-01

    Multicomponent systems are defined as chemical systems that require a quantum mechanical description of two or more different types of particles. Non-Born-Oppenheimer electron-nuclear interactions in molecules, electron-hole interactions in electronically excited nanoparticles, and electron-positron interactions are examples of physical systems that require a multicomponent quantum mechanical formalism. The central challenge in the theoretical treatment of multicomponent systems is capturing the many-body correlation effects that exist not only between particles of identical types (electron-electron) but also between particles of different types (electron-nuclear and electron-hole). In this work, the development and implementation of multicomponent coupled-cluster (mcCC) theory for treating particle-particle correlation in multicomponent systems is presented. This method provides a balanced treatment of many-particle correlation in a general multicomponent system while maintaining a size-consistent and size-e...

  10. Simulation of Hydraulic and Natural Fracture Interaction Using a Coupled DFN-DEM Model

    Energy Technology Data Exchange (ETDEWEB)

    J. Zhou; H. Huang; M. Deo

    2016-03-01

    The presence of natural fractures will usually result in a complex fracture network due to the interactions between hydraulic and natural fracture. The reactivation of natural fractures can generally provide additional flow paths from formation to wellbore which play a crucial role in improving the hydrocarbon recovery in these ultra-low permeability reservoir. Thus, accurate description of the geometry of discrete fractures and bedding is highly desired for accurate flow and production predictions. Compared to conventional continuum models that implicitly represent the discrete feature, Discrete Fracture Network (DFN) models could realistically model the connectivity of discontinuities at both reservoir scale and well scale. In this work, a new hybrid numerical model that couples Discrete Fracture Network (DFN) and Dual-Lattice Discrete Element Method (DL-DEM) is proposed to investigate the interaction between hydraulic fracture and natural fractures. Based on the proposed model, the effects of natural fracture orientation, density and injection properties on hydraulic-natural fractures interaction are investigated.

  11. Self-organized network of fractal-shaped components coupled through statistical interaction.

    Science.gov (United States)

    Ugajin, R

    2001-09-01

    A dissipative dynamics is introduced to generate self-organized networks of interacting objects, which we call coupled-fractal networks. The growth model is constructed based on a growth hypothesis in which the growth rate of each object is a product of the probability of receiving source materials from faraway and the probability of receiving adhesives from other grown objects, where each object grows to be a random fractal if isolated, but connects with others if glued. The network is governed by the statistical interaction between fractal-shaped components, which can only be identified in a statistical manner over ensembles. This interaction is investigated using the degree of correlation between fractal-shaped components, enabling us to determine whether it is attractive or repulsive.

  12. Gate-tunable indirect exchange interaction in spin-orbit-coupled mesoscopic rings

    Science.gov (United States)

    Nikoofard, H.; Heidari Semiromi, E.

    2015-05-01

    We study the carrier-mediated exchange interaction, the so-called Ruderman-Kittel-Kasuya-Yosida (RKKY) coupling, between two magnetic impurity moments embedded in a semiconductor mesoscopic ring. We treat the ring in the presence of an Aharonov-Bohm-type magnetic flux and the Rashba and Dresselhaus spin-orbit interactions (RSOI and DSOI). Energy eigenvalues of the system are obtained within a tight-binding framework and the strength of the indirect exchange interaction vs. RSOI strengths are plotted for different values of DSOI strength. The results show that the type of the impurity magnetic order, ferromagnetic (F) or antiferromagnetic (AF), depends on the RSOI and DSOI strengths. This leads to a full electrical control on the magnetic alignment of the system through, e.g., an external gate voltage.

  13. Coupled Fluid-Structure Interaction Analysis of Solid Rocket Motor with Flexible Inhibitors

    Science.gov (United States)

    Yang, H. Q.; West, Jeff; Harris, Robert E.

    2014-01-01

    Flexible inhibitors are generally used in solid rocket motors (SRMs) as a means to control the burning of propellant. Vortices generated by the flow of propellant around the flexible inhibitors have been identified as a driving source of instabilities that can lead to thrust oscillations in launch vehicles. Potential coupling between the SRM thrust oscillations and structural vibration modes is an important risk factor in launch vehicle design. As a means to predict and better understand these phenomena, a multidisciplinary simulation capability that couples the NASA production CFD code, Loci/CHEM, with CFDRC's structural finite element code, CoBi, has been developed. This capability is crucial to the development of NASA's new space launch system (SLS). This paper summarizes the efforts in applying the coupled software to demonstrate and investigate fluid-structure interaction (FSI) phenomena between pressure waves and flexible inhibitors inside reusable solid rocket motors (RSRMs). The features of the fluid and structural solvers are described in detail, and the coupling methodology and interfacial continuity requirements are then presented in a general Eulerian-Lagrangian framework. The simulations presented herein utilize production level CFD with hybrid RANS/LES turbulence modeling and grid resolution in excess of 80 million cells. The fluid domain in the SRM is discretized using a general mixed polyhedral unstructured mesh, while full 3D shell elements are utilized in the structural domain for the flexible inhibitors. Verifications against analytical solutions for a structural model under a steady uniform pressure condition and under dynamic modal analysis show excellent agreement in terms of displacement distribution and eigenmode frequencies. The preliminary coupled results indicate that due to acoustic coupling, the dynamics of one of the more flexible inhibitors shift from its first modal frequency to the first acoustic frequency of the solid rocket motor

  14. Competition Between Resonant Plasmonic Coupling and Electrostatic Interaction in Reduced Graphene Oxide Quantum Dots

    Science.gov (United States)

    Karna, Sanjay; Mahat, Meg; Choi, Tae-Youl; Shimada, Ryoko; Wang, Zhiming; Neogi, Arup

    2016-11-01

    The light emission from reduced graphene oxide quantum dots (rGO-QDs) exhibit a significant enhancement in photoluminescence (PL) due to localized surface plasmon (LSP) interactions. Silver and gold nanoparticles (NPs) coupled to rGO nanoparticles exhibit the effect of resonant LSP coupling on the emission processes. Enhancement of the radiative recombination rate in the presence of Ag-NPs induced LSP tuned to the emission energy results in a four-fold increase in PL intensity. The localized field due to the resonantly coupled LSP modes induces n-π* transitions that are not observed in the absence of the resonant interaction of the plasmons with the excitons. An increase in the density of the Ag-NPs result in a detuning of the LSP energy from the emission energy of the nanoparticles. The detuning is due to the cumulative effect of the red-shift in the LSP energy and the electrostatic field induced blue shift in the PL energy of the rGO-QDs. The detuning quenches the PL emission from rGO-QDs at higher concentration of Ag NPs due to non-dissipative effects unlike plasmon induced Joule heating that occurs under resonance conditions. An increase in Au nanoparticles concentration results in an enhancement of PL emission due to electrostatic image charge effect.

  15. Competition Between Resonant Plasmonic Coupling and Electrostatic Interaction in Reduced Graphene Oxide Quantum Dots.

    Science.gov (United States)

    Karna, Sanjay; Mahat, Meg; Choi, Tae-Youl; Shimada, Ryoko; Wang, Zhiming; Neogi, Arup

    2016-11-22

    The light emission from reduced graphene oxide quantum dots (rGO-QDs) exhibit a significant enhancement in photoluminescence (PL) due to localized surface plasmon (LSP) interactions. Silver and gold nanoparticles (NPs) coupled to rGO nanoparticles exhibit the effect of resonant LSP coupling on the emission processes. Enhancement of the radiative recombination rate in the presence of Ag-NPs induced LSP tuned to the emission energy results in a four-fold increase in PL intensity. The localized field due to the resonantly coupled LSP modes induces n-π* transitions that are not observed in the absence of the resonant interaction of the plasmons with the excitons. An increase in the density of the Ag-NPs result in a detuning of the LSP energy from the emission energy of the nanoparticles. The detuning is due to the cumulative effect of the red-shift in the LSP energy and the electrostatic field induced blue shift in the PL energy of the rGO-QDs. The detuning quenches the PL emission from rGO-QDs at higher concentration of Ag NPs due to non-dissipative effects unlike plasmon induced Joule heating that occurs under resonance conditions. An increase in Au nanoparticles concentration results in an enhancement of PL emission due to electrostatic image charge effect.

  16. Spin-Lattice Coupling and Third Neighbor Magnetic Interactions in EuTiO3

    Science.gov (United States)

    Birol, Turan; Fennie, Craig J.

    2013-03-01

    An ongoing challenge in materials physics is to identify materials that display a strong coupling between the electrical polarization and magnetism. EuTiO3 is one such material that has been of much recent interest. This novel material is antiferromagnetic and paraelectric in bulk but becomes simultaneously ferromagnetic and ferroelectric under biaxial strain due to a rather large spin-lattice (phonon) coupling. In this talk we will present the results of our first-principles study on the effect of ferroelectric distortions and octahedral rotations on the magnetic exchange interactions in EuTiO3. We elucidate the evolution of the octahedral rotation pattern with strain and show how they influence the properties of the multiferroic phase. Going beyond the proposed cation-mediated exchange for EuTiO3, which has been linked to the large spin-lattice coupling in this material, we uncover the importance of third-neighbor magnetic interactions and illustrate how it is responsible for the ``giant'' cross-field magnetoelectric effect recently demonstrated.

  17. Beyond the average marital communication: Latent profiles of the observed interactions among Chinese newlywed couples.

    Science.gov (United States)

    Cao, Hongjian; Fang, Xiaoyi; Fine, Mark A; Ju, Xiaoyan; Lan, Jing; Liu, Xuanwen

    2015-12-01

    Employing a multicontext observational design, using a person-centered approach, and treating the marital dyad as the unit of analysis, this study examined the within-couple communication patterning of 144 Chinese newlywed couples and its association with relationship satisfaction. Latent profile analysis consistently revealed 3 profiles of spouses' interactive behaviors across contexts differing in both topic nature (i.e., problem-solving vs. social support) and initiator (i.e., husbands vs. wives): (a) traditionally undemonstrative profile, (b) emotionally quarrelling profile, and (c) warmly supportive profile. The prevalence of communication profiles changed markedly with the nature of the discussion topic and the topic initiator. Further, using latent class analysis, we classified couples into subgroups based on their identified profile memberships across contexts (i.e., consistency of interaction mode across contexts). Three classes were identified: (a) consistently quarrelling class, (b) consistently supportive class, and (c) modestly traditional class. Both the consistently supportive class and the modestly traditional class reported significantly higher levels of marital satisfaction than did the consistently quarrelling class.

  18. Earthquake nucleation in a stochastic fault model of globally coupled units with interaction delays

    Science.gov (United States)

    Vasović, Nebojša; Kostić, Srđan; Franović, Igor; Todorović, Kristina

    2016-09-01

    In present paper we analyze dynamics of fault motion by considering delayed interaction of 100 all-to-all coupled blocks with rate-dependent friction law in presence of random seismic noise. Such a model sufficiently well describes a real fault motion, whose prevailing stochastic nature is implied by surrogate data analysis of available GPS measurements of active fault movement. Interaction of blocks in an analyzed model is studied as a function of time delay, observed both for dynamics of individual faults and phenomenological models. Analyzed model is examined as a system of all-to-all coupled blocks according to typical assumption of compound faults as complex of globally coupled segments. We apply numerical methods to show that there are local bifurcations from equilibrium state to periodic oscillations, with an occurrence of irregular aperiodic behavior when initial conditions are set away from the equilibrium point. Such a behavior indicates a possible existence of a bi-stable dynamical regime, due to effect of the introduced seismic noise or the existence of global attractor. The latter assumption is additionally confirmed by analyzing the corresponding mean-field approximated model. In this bi-stable regime, distribution of event magnitudes follows Gutenberg-Richter power law with satisfying statistical accuracy, including the b-value within the real observed range.

  19. Microprobe PIXE study of Ni–Ge interactions in lateral diffusion couples

    Energy Technology Data Exchange (ETDEWEB)

    Chilukusha, D. [Department of Physics, University of Zambia, P.O. Box 32379, Lusaka 10101 (Zambia); Pineda-Vargas, C.A. [iThemba LABS, National Research Foundation, P.O. Box 722, Somerset West 7129 (South Africa); Faculty of Health & Wellness Sciences, CPUT, Bellville (South Africa); Nemutudi, R. [iThemba LABS, National Research Foundation, P.O. Box 722, Somerset West 7129 (South Africa); Habanyama, A. [Department of Physics, Copperbelt University, P.O. Box 21692, Jambo Drive, Riverside, Kitwe 10101 (Zambia); Comrie, C.M. [iThemba LABS, National Research Foundation, P.O. Box 722, Somerset West 7129 (South Africa)

    2015-11-15

    Rutherford backscattering spectrometry on the nuclear microprobe (μRBS) is often used in studies of lateral diffusion couples. RBS requires that the positions of the interacting species on the periodic table are not too close in terms of atomic number and therefore do not produce excessive RBS peak overlap. In order to satisfactorily characterize systems that have atomic numbers which are close, it is necessary to find techniques which can complement μRBS. The aim of this study was to determine the extent to which particle induced X-ray emission (PIXE) could be applied in the lateral diffusion couple study of a system with relatively close atomic numbers. This was with a view that it may eventually be adopted to study systems where the atomic numbers are too close for RBS analysis. The system studied here was the Ni–Ge binary system. Since RBS is an established technique for studying lateral diffusion couples, we used it as a standard for comparison. The PIXE results showed a maximum error of 12% with reference to the RBS standard. In order to achieve the most effective use of PIXE in lateral diffusion couple studies we recommend the use of the technique in such a way as to obtain depth information and the use of relatively thick sample layers.

  20. Effects of energy correlations and superexchange on charge transport and exciton formation in amorphous molecular semiconductors: An ab initio study

    Science.gov (United States)

    Massé, Andrea; Friederich, Pascal; Symalla, Franz; Liu, Feilong; Meded, Velimir; Coehoorn, Reinder; Wenzel, Wolfgang; Bobbert, Peter A.

    2017-03-01

    In this study, we investigate on the basis of ab initio calculations how the morphology, molecular on-site energies, reorganization energies, and charge transfer integral distribution affect the hopping charge transport and the exciton formation process in disordered organic semiconductors. We focus on three materials applied frequently in organic light-emitting diodes: α -NPD , TCTA, and Spiro-DPVBi. Spatially correlated disorder and, more importantly, superexchange contributions to the transfer integrals, are found to give rise to a significant increase of the electric field dependence of the electron and hole mobility. Furthermore, a material-specific correlation is found between the HOMO and LUMO energy on each specific molecular site. For α -NPD and TCTA, we find a positive correlation between the HOMO and LUMO energies, dominated by a Coulombic contribution to the energies. In contrast, Spiro-DPVBi shows a negative correlation, dominated by a conformational contribution. The size and sign of this correlation have a strong influence on the exciton formation rate.

  1. Analysis on Patterns of Globally Coupled Phase Oscillators with Attractive and Repulsive Interactions

    Science.gov (United States)

    Wang, Peng-Fei; Ruan, Xiao-Dong; Xu, Zhong-Bin; Fu, Xin

    2015-11-01

    The Hong-Strogatz (HS) model of globally coupled phase oscillators with attractive and repulsive interactions reflects the fact that each individual (oscillator) has its own attitude (attractive or repulsive) to the same environment (mean field). Previous studies on HS model focused mainly on the stable states on Ott-Antonsen (OA) manifold. In this paper, the eigenvalues of the Jacobi matrix of each fixed point in HS model are explicitly derived, with the aim to understand the local dynamics around each fixed point. Phase transitions are described according to relative population and coupling strength. Besides, the dynamics off OA manifold is studied. Supported by the National Basic Research Program of China under Grant No. 2015CB057301, the Applied Research Project of Public Welfare Technology of Zhejiang Province under Grant No. 201SC31109 and China Postdoctoral Science Foundation under Grant No. 2014M560483

  2. Dynamics of interacting qubits coupled to a common bath: Non-Markovian quantum state diffusion approach

    CERN Document Server

    Zhao, Xinyu; Corn, Brittany; Yu, Ting; 10.1103/PhysRevA.84.032101

    2011-01-01

    Non-Markovian dynamics is studied for two interacting quibts strongly coupled to a dissipative bosonic environment. For the first time, we have derived the non-Markovian quantum state diffusion (QSD) equation for the coupled two-qubit system without any approximations, and in particular, without the Markov approximation. As an application and illustration of our derived time-local QSD equation, we investigate the temporal behavior of quantum coherence dynamics. In particular, we find a strongly non-Markovian regime where entanglement generation is significantly modulated by the environmental memory. Additionally, we studied the residual entanglement in the steady state by analyzing the steady state solution of the QSD equation. Finally, we have discussed an approximate QSD equation.

  3. A systematic approach to vertically excited states of ethylene using configuration interaction and coupled cluster techniques

    Energy Technology Data Exchange (ETDEWEB)

    Feller, David, E-mail: dfeller@owt.com; Peterson, Kirk A. [Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 (United States); Davidson, Ernest R. [Department of Chemistry, University of Washington, Seattle, Washington 98195-1700 (United States)

    2014-09-14

    A systematic sequence of configuration interaction and coupled cluster calculations were used to describe selected low-lying singlet and triplet vertically excited states of ethylene with the goal of approaching the all electron, full configuration interaction/complete basis set limit. Included among these is the notoriously difficult, mixed valence/Rydberg {sup 1}B{sub 1u} V state. Techniques included complete active space and iterative natural orbital configuration interaction with large reference spaces which led to variational spaces of 1.8 × 10{sup 9} parameters. Care was taken to avoid unintentionally biasing the results due to the widely recognized sensitivity of the V state to the details of the calculation. The lowest vertical and adiabatic ionization potentials to the {sup 2}B{sub 3u} and {sup 2}B{sub 3} states were also determined. In addition, the heat of formation of twisted ethylene {sup 3}A{sub 1} was obtained from large basis set coupled cluster theory calculations including corrections for core/valence, scalar relativistic and higher order correlation recovery.

  4. Resonant interactions between discrete phonons in quinhydrone driven by nonlinear electron-phonon coupling

    Science.gov (United States)

    Rury, Aaron S.

    2016-06-01

    This study reports experimental, computational, and theoretical evidence for a previously unobserved coherent phonon-phonon interaction in an organic solid that can be described by the application of Fano's analysis to a case without the presence of a continuum. Using Raman spectroscopy of the hydrogen-bonded charge-transfer material quinhydrone, two peaks appear near 700 cm-1 we assign as phonons whose position and line-shape asymmetry depend on the sample temperature and light scattering excitation energy. Density functional theory calculations find two nearly degenerate phonons possessing frequencies near the values found in experiment that share similar atomic motion out of the aromatic plane of electron donor and acceptor molecules of quinhydrone. Further analytical modeling of the steady-state light scattering process using the Peierls-Hubbard Hamiltonian and time-dependent perturbation theory motivates assignment of the physical origin of the asymmetric features of each peak's line shape to an interaction between two discrete phonons via nonlinear electron-phonon coupling. In the context of analytical model results, characteristics of the experimental spectra upon 2.33 eV excitation of the Raman scattering process are used to qualify the temperature dependence of the magnitude of this coupling in the valence band of quinhydrone. These results broaden the range of phonon-phonon interactions in materials in general while also highlighting the rich physics and fundamental attributes specific to organic solids that may determine their applicability in next generation electronics and photonics technologies.

  5. Two-way coupled fluid structure interaction simulation of a propeller turbine

    Energy Technology Data Exchange (ETDEWEB)

    Schmucker, H [Voith Hydro GmbH and Co. KG, Germany Alexanderstrasse 11, 89522 Heidenheim (Germany); Flemming, F; Coulson, S, E-mail: Hannes.Schmucker@voith.co [Voith Hydro Inc. York, PA, 760 East Berlin Road, York, PA, 17408 (United States)

    2010-08-15

    During the operation of a hydro turbine the fluid mechanical pressure loading on the turbine blades provides the driving torque on the turbine shaft. This fluid loading results in a structural load on the component which in turn causes the turbine blade to deflect. Classically, these mechanical stresses and deflections are calculated by means of finite element analysis (FEA) which applies the pressure distribution on the blade surface calculated by computational fluid dynamics (CFD) as a major boundary condition. Such an approach can be seen as a oneway coupled simulation of the fluid structure interaction (FSI) problem. In this analysis the reverse influence of the deformation on the fluid is generally neglected. Especially in axial machines the blade deformation can result in a significant impact on the turbine performance. The present paper analyzes this influence by means of fully two-way coupled FSI simulations of a propeller turbine utilizing two different approaches. The configuration has been simulated by coupling the two commercial solvers ANSYS CFX for the fluid mechanical simulation with ANSYS Classic for the structure mechanical simulation. A detailed comparison of the results for various blade stiffness by means of changing Young's Modulus are presented. The influence of the blade deformation on the runner discharge and performance will be discussed and shows for the configuration investigated no significant influence under normal structural conditions. This study also highlights that a two-way coupled fluid structure interaction simulation of a real engineering configuration is still a challenging task for today's commercially available simulation tools.

  6. Local coupling (LoCo) vs. large-scale coupled (LsCo) land-atmosphere interactions in idealized experiments

    Science.gov (United States)

    Gentine, P.; Lintner, B. R.; Findell, K. L.; Rochetin, N.; Sobel, A. H.; Anber, U. M.

    2014-12-01

    We will present two idealized epxeriments/methodologies to investigate local (LoCo) and large-scale (LsCo) coupling between the surface and the atmsophere: the contiental Radiative-Convective Equilibrium (RCE) and the continental Weak Temperature Gradient (WTG). The RCE defines an equilibrium state of coupling between the surafce and the atmosphere isolated from any large-scale dependence, which were investigated within the single column model of the Laboratoire de Meteorologie Dynamique (LMD) coupled to a simple bucket land model. This studies emphasizes the role of low-level cloud and the diurnal cylce of the boundary layer on the final state of the system. In the WTG we investigate the coupling between the surface and the atmosphere during the dry and wet season of the Amazon with the WRF model coupled to the NOAH land-surface model. Large-scale coupling is obtained with the WTG. The dry and wet season demonstrate very fundamental behavior: in the dry season deep convection is generated by radiative cooling in the higher troposhere and is disconnected from the surface. In the wet season the coupling between the surface and the atmosphere is much tighter. We suggest that the WTG is a powerful tool to investigate the coupling between the surface and the atmosphere, which solves two major issues: the limited resolution of convection in GCMs and the lack of large-scale coupling in CRM. Later investigation will look at the effect of deforestation, water table and distance from the ocean.

  7. Interplay between interaction and nonidentical coupling for a Bose–Einstein Condensate in a triple-well potential

    Energy Technology Data Exchange (ETDEWEB)

    Rong, Shiguang, E-mail: rong_shiguang@sina.com [Department of Physics, Hunan University of Science & Technology, Xiangtan 411201 (China); Xie, Qiongtao [College of Physics and Electronic Engineering, Hainan Normal University, Haikou 571158 (China); Hai, Wenhua [Department of Physics, Hunan Normal University, Changsha 410081 (China)

    2015-09-18

    Highlights: • The interplay between interaction and nonidentical coupling gives rive to a “two negatives make a positive” effect. • In the weak interaction regime, the beating phenomenon is found. • In the strong interaction region, the collapse and revival sequences can appear instead of the beating sequences. - Abstract: We investigate the effect of interaction and nonidentical coupling on the tunneling dynamics of a Bose–Einstein Condensate trapped in a triple-well potential. In certain parameter regions, we find a “two negatives make a positive” effect. While interaction or nonidentical coupling by itself can suppress the tunneling between the wells, both together enhance the tunneling. In addition, it is shown that under appropriate conditions, the mean-field dynamics displays beating phenomenon in the weak interaction regime. We present a physical explanation for such beating phenomenon. The effect of quantum fluctuation on the beating structure is also discussed numerically.

  8. Heterobimetallic lantern complexes that couple antiferromagnetically through noncovalent Pt···Pt interactions.

    Science.gov (United States)

    Baddour, Frederick G; Fiedler, Stephanie R; Shores, Matthew P; Golen, James A; Rheingold, Arnold L; Doerrer, Linda H

    2013-05-01

    A series of Pt-based heterobimetallic lantern complexes of the form [PtM(SAc)4(OH2)] (M = Co, 1; Ni, 2; Zn, 3) were prepared using a facile, single-step procedure. These hydrated species were reacted with 3-nitropyridine (3-NO2py) to prepare three additional lantern complexes, [PtM(SAc)4(3-NO2py)] (M = Co, 4; Ni, 5; Zn, 6), or alternatively dried in vacuo to the dehydrated species [PtM(SAc)4] (M = Co, 7; Ni, 8; Zn, 9). The Co- and Ni-containing species exhibit Pt-M bonding in solution and the solid state. In the structurally characterized compounds 1-6, the lantern units form dimers in the solid state via a short Pt···Pt metallophilic interaction. Antiferromagnetic coupling between 3d metal ions in the solid state through noncovalent metallophilic interactions was observed for all the paramagnetic lantern complexes prepared, with J-coupling values of -12.7 cm(-1) (1), -50.8 cm(-1) (2), -6.0 cm(-1) (4), and -12.6 cm(-1) (5). The Zn complexes 3 and 6 also form solid-state dimers, indicating that the formation of short Pt···Pt interactions in these complexes is not predicated on the presence of a paramagnetic 3d metal ion. These contacts and the resultant antiferromagnetic coupling are also not unique to heterobimetallic lantern complexes with axially coordinated H2O or the previously reported thiobenzoate supporting ligand.

  9. Temperature dependence of the effective interdimer exchange interaction in a weakly coupled antiferromagnetic dimer copper compound

    Science.gov (United States)

    Calvo, Rafael; Santana, Vinicius T.; Nascimento, Otaciro R.

    2017-08-01

    We report a variation with temperature T of the effective interdimeric interaction Jeff' in the antiferromagnetic (AFM) copper dimeric organic compound Cu2[TzTs] 4 (N -thiazol-2-yl-toluenesulfonamidate CuII). This T dependence was obtained from measurements of the effects in the electron paramagnetic resonance (EPR) spectra of the proposed quantum phase transition associated with the exchange-narrowing processes. Cu2[TzTs] 4 contains exchange-coupled pairs of CuII spins SA and SB (S =1 /2 ), with intradimeric AFM exchange coupling J0=(-115 ±1 ) cm-1 (Hex=-J0SA.SB ). The variation of the EPR linewidth of single crystals with field orientation around a "magic angle" where the transitions intersect and the integrated signal intensity of the so-called U peak of the powder spectrum were measured as a function of T . Modeling these data using arguments of exchange narrowing in the adiabatic regime considering the angular variation of the single-crystal spectra and a geometric description, we find that the effective interdimeric coupling | Jeff'| associated with the exchange frequency ωex is negligible for T ≪| J0/kB| when the units are uncoupled and | Jeff'|=(0.080 ±0.005 ) cm-1 (| Jeff'/J0|=7.0 × 10-4 ) at 298 K. Within this T interval, two ranges of | Jeff'| with linear temperature variation but different slopes, with a kink at ˜80 K, are observed and discussed. This T dependence arises from the growing population of the triplet state, and its relevance to the properties of various arrays of dimeric units is discussed. Our experimental procedures and results are compared with those of previous works in ion radical salts and dimeric metal compounds. The relation between the effective coupling | Jeff'| and the real interdimeric exchange coupling | J'| related to the chemical paths connecting neighbor units is discussed.

  10. A conceptual framework to evaluate human-wildlife interactions within coupled human and natural systems

    Directory of Open Access Journals (Sweden)

    Anita T. Morzillo

    2014-09-01

    Full Text Available Landscape characteristics affect human-wildlife interactions. However, there is a need to better understand mechanisms that drive those interactions, particularly feedbacks that exist between wildlife-related impacts, human reaction to and behavior as a result of those impacts, and how land use and landscape characteristics may influence those components within coupled human and natural systems. Current conceptual models of human-wildlife interactions often focus on species population size as the independent variable driving those interactions. Such an approach potentially overlooks important feedbacks among and drivers of human-wildlife interactions that result from mere wildlife presence versus absence. We describe an emerging conceptual framework that focuses on wildlife as a driver of human behavior and allows us to better understand linkages between humans, wildlife, and the broader landscape. We also present results of a pilot analysis related to our own ongoing study of urban rodent control behavior to illustrate one application of this framework within a study of urban landscapes.

  11. Calculation of hyperfine coupling constant by symmetry adapted cluster expansion configuration interaction theory. II. Anisotropic constants

    Science.gov (United States)

    Momose, Takamasa; Yamaguchi, Makoto; Shida, Tadamasa

    1990-11-01

    Following the previous work on the isotropic hyperfine coupling constants (HFCCs) of polyatomic radicals the symmetry adapted cluster expansion-configuration interaction (SAC-CI) theory is applied to calculate anisotropic HFCCs also. The results are compared with available experimental data from diatomic to polyatomic radicals such as the vinoxy. For radicals consisting of only the first row atoms Dunning's double zeta (DZ) basis set is shown to be adequate, but for those containing the second row atoms inclusion of polarization functions is required. Compared with the isotropic HFCC the calculation of the anisotropic HFCC is less formidable. However, ignorance of electron correlation causes serious disagreements with experimental data.

  12. Coupled-cluster theory of a gas of strongly-interacting electrons in the dilute limit

    Energy Technology Data Exchange (ETDEWEB)

    Mihaila, Bodgan [Los Alamos National Laboratory; Cardenas, Andres L [Los Alamos National Laboratory

    2008-01-01

    We study the ground-state properties of a dilute gas of strongly-interacting fermions in the framework of the coupled-cluster expansion (CCE). We demonstrate that properties such as universality, opening of a gap in the excitation spectrum and applicability of s-wave approximations appear naturally in the CCE approach. In the zero-density limit, we show that the ground-state energy density depends on only one parameter which in turn may depend at most on the spatial dimensionality of the system.

  13. Coupled channel approach to strangeness S = -2 baryon-bayron interactions in Lattice QCD

    CERN Document Server

    Sasaki, Kenji; Doi, Takumi; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Ishii, Noriyoshi; Murano, Keiko

    2015-01-01

    The baryon-baryon interactions with strangeness S = -2 with the flavor SU(3) breaking are calculated for the first time by using the HAL QCD method extended to coupled channel system in lattice QCD. The potential matrices are extracted from the Nambu-Bethe-Salpeter wave functions obtained by the 2+1 flavor gauge configurations of CP-PACS/JLQCD Collaborations with a physical volume of 1.93 fm cubed and with m_pi/m_K = 0.96, 0.90, 0.86. The spatial structure and the quark mass dependence of the potential matrix in the baryon basis and in the SU(3) basis are investigated.

  14. Dissipation and entanglement dynamics for two interacting qubits coupled to independent reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Scala, M [Departamento de Optica, Facultad de Fisica, Universidad Complutense de Madrid, 28040 (Spain); Migliore, R [CNR-INFM, CNISM and Dipartimento di Scienze Fisiche ed Astronomiche dell' Universita di Palermo, via Archirafi 36, I-90123 Palermo (Italy); Messina, A [MIUR and Dipartimento di Scienze Fisiche ed Astronomiche dell' Universita di Palermo, via Archirafi 36, I-90123 Palermo (Italy)], E-mail: matteo.scala@fisica.unipa.it, E-mail: rosanna@fisica.unipa.it, E-mail: messina@fisica.unipa.it

    2008-10-31

    We derive the master equation of a system of two coupled qubits by taking into account their interaction with two independent bosonic baths. Important features of the dynamics are brought to light, such as the structure of the stationary state at general temperatures and the behaviour of the entanglement at zero temperature, showing the phenomena of sudden death and sudden birth as well as the presence of stationary entanglement for long times. The model presented here is quite versatile and can be of interest in the study of both Josephson junction architectures and cavity-QED.

  15. Strong coupling electrostatics for randomly charged surfaces: antifragility and effective interactions.

    Science.gov (United States)

    Ghodrat, Malihe; Naji, Ali; Komaie-Moghaddam, Haniyeh; Podgornik, Rudolf

    2015-05-07

    We study the effective interaction mediated by strongly coupled Coulomb fluids between dielectric surfaces carrying quenched, random monopolar charges with equal mean and variance, both when the Coulomb fluid consists only of mobile multivalent counterions and when it consists of an asymmetric ionic mixture containing multivalent and monovalent (salt) ions in equilibrium with an aqueous bulk reservoir. We analyze the consequences that follow from the interplay between surface charge disorder, dielectric and salt image effects, and the strong electrostatic coupling that results from multivalent counterions on the distribution of these ions and the effective interaction pressure they mediate between the surfaces. In a dielectrically homogeneous system, we show that the multivalent counterions are attracted towards the surfaces with a singular, disorder-induced potential that diverges logarithmically on approach to the surfaces, creating a singular but integrable counterion density profile that exhibits an algebraic divergence at the surfaces with an exponent that depends on the surface charge (disorder) variance. This effect drives the system towards a state of lower thermal 'disorder', one that can be described by a renormalized temperature, exhibiting thus a remarkable antifragility. In the presence of an interfacial dielectric discontinuity, the singular behavior of counterion density at the surfaces is removed but multivalent counterions are still accumulated much more strongly close to randomly charged surfaces as compared with uniformly charged ones. The interaction pressure acting on the surfaces displays in general a highly non-monotonic behavior as a function of the inter-surface separation with a prominent regime of attraction at small to intermediate separations. This attraction is caused directly by the combined effects from charge disorder and strong coupling electrostatics of multivalent counterions, which dominate the surface-surface repulsion due to

  16. Long-range interactions and phase defects in chains of fluid-coupled oscillators

    CERN Document Server

    Brumley, Douglas R; Kotar, Jurij; Goldstein, Raymond E; Cicuta, Pietro; Polin, Marco

    2016-01-01

    Eukaryotic cilia and flagella are chemo-mechanical oscillators capable of generating long-range coordinated motions known as metachronal waves. Pair synchronization is a fundamental requirement for these collective dynamics, but it is generally not sufficient for collective phase-locking, chiefly due to the effect of long-range interactions. Here we explore experimentally and numerically a minimal model for a ciliated surface; hydrodynamically coupled oscillators rotating above a no-slip plane. Increasing their distance from the wall profoundly effects the global dynamics, due to variations in hydrodynamic interaction range. The array undergoes a transition from a traveling wave to either a steady chevron pattern or one punctuated by periodic phase defects. Within the transition between these regimes the system displays behavior reminiscent of chimera states.

  17. Discrete and continuum links to a nonlinear coupled transport problem of interacting populations

    Science.gov (United States)

    Duong, M. H.; Muntean, A.; Richardson, O. M.

    2017-02-01

    We are interested in exploring interacting particle systems that can be seen as microscopic models for a particular structure of coupled transport flux arising when different populations are jointly evolving. The scenarios we have in mind are inspired by the dynamics of pedestrian flows in open spaces and are intimately connected to cross-diffusion and thermo-diffusion problems holding a variational structure. The tools we use include a suitable structure of the relative entropy controlling TV-norms, the construction of Lyapunov functionals and particular closed-form solutions to nonlinear transport equations, a hydrodynamics limiting procedure due to Philipowski, as well as the construction of numerical approximates to both the continuum limit problem in 2D and to the original interacting particle systems.

  18. Wigner Quantization of Hamiltonians Describing Harmonic Oscillators Coupled by a General Interaction Matrix

    Directory of Open Access Journals (Sweden)

    Gilles Regniers

    2009-11-01

    Full Text Available In a system of coupled harmonic oscillators, the interaction can be represented by a real, symmetric and positive definite interaction matrix. The quantization of a Hamiltonian describing such a system has been done in the canonical case. In this paper, we take a more general approach and look at the system as a Wigner quantum system. Hereby, one does not assume the canonical commutation relations, but instead one just requires the compatibility between the Hamilton and Heisenberg equations. Solutions of this problem are related to the Lie superalgebras gl(1|n and osp(1|2n. We determine the spectrum of the considered Hamiltonian in specific representations of these Lie superalgebras and discuss the results in detail. We also make the connection with the well-known canonical case.

  19. Interacting agegraphic dark energy model in tachyon cosmology coupled to matter

    Energy Technology Data Exchange (ETDEWEB)

    Farajollahi, H., E-mail: hosseinf@guilan.ac.ir [Department of Physics, University of Guilan, Rasht (Iran, Islamic Republic of); School of Physics, University of New South Wales, Sydney, NSW, 2052 (Australia); Ravanpak, A., E-mail: aravanpak@guilan.ac.ir [Department of Physics, University of Guilan, Rasht (Iran, Islamic Republic of); Fadakar, G.F., E-mail: gfadakar@guilan.ac.ir [Department of Physics, University of Guilan, Rasht (Iran, Islamic Republic of)

    2012-05-15

    Scalar-field dark energy models for tachyon fields are often regarded as an effective description of an underlying theory of dark energy. In this Letter, we propose the agegraphic dark energy model in tachyon cosmology by interaction between the components of the dark sectors. In the formalism, the interaction term emerges from the tachyon field nonminimally coupled to the matter Lagrangian in the model rather than being inserted into the formalism as an external source. The model is constrained by the observational data. Based on the best fitted parameters in both original and new agegraphic dark energy scenarios, the model is tested by Sne Ia data. The tachyon potential and tachyon field are reconstructed and coincidence problem is revisited.

  20. Quantitative characterization of Tob interactions provides the thermodynamic basis for translation termination-coupled deadenylase regulation.

    Science.gov (United States)

    Ruan, Lin; Osawa, Masanori; Hosoda, Nao; Imai, Shunsuke; Machiyama, Asako; Katada, Toshiaki; Hoshino, Shin-ichi; Shimada, Ichio

    2010-09-03

    Translation termination-coupled deadenylation is the first and often the rate-limiting step of eukaryotic mRNA decay in which two deadenylases, Ccr4-Caf1 and Pan2, play key roles. One of the deadenylases, Caf1, associates with Tob, which recruits Caf1 to the poly(A) tail through interactions with a cytoplasmic poly(A)-binding protein 1 (PABPC1). We previously proposed that the competition between Tob and eRF3 (a translation termination factor that interacts with PABPC1) is responsible for the regulation of deadenylase activity. However, the molecular mechanism of the regulation should be addressed by investigating the binding affinity and the cellular levels of these proteins. In this work, we characterized the human Tob interactions with Caf1 and a C-terminal domain of PABPC1 (PABC). Nuclear magnetic resonance (NMR) and Western blot analyses revealed that Tob consists of a structured N-terminal BTG-Tob domain and an unstructured C-terminal region with two conserved PAM2 (PABPC1-interacting motif 2) motifs. The BTG-TOB domain associates with Caf1, whereas the C-terminal PAM2 motif binds to PABC, with a K(d) value of 20 microM. Furthermore, we demonstrated that the levels of eRF3 and Tob in HeLa cells are 4-5 microM and less than 0.2 microM, respectively. On the basis of these results, we propose a thermodynamic mechanism for the translation termination-coupled deadenylation mediated by the Tob-Caf1 complex.

  1. Couple Interaction and Predicting Vulnerability to Domestic Violence in Uttar Pradesh, India.

    Science.gov (United States)

    Singh, Brijesh P; Singh, Kaushalendra K; Singh, Neha

    2014-08-01

    Domestic violence, when conducted against women, is a type of gender-based violence that negatively impacts a woman's physical and psychological health, causing insecurity, lack of safety, and loss of health and self-worth. Domestic violence is an important consideration for sexual, reproductive, and child health, as it can affect contraceptive behaviors of couples as well as levels of infant mortality. In the present analysis, an attempt has been made to study the relationship between women's experience of domestic violence and couple interaction after controlling for certain socioeconomic and demographic variables using logistic regression. This study looks at data from the National Family Health Survey-III conducted from 2005 to 2006 in Uttar Pradesh, the most populous state of India. Findings reveal that 43% of women suffer from domestic violence in the society as a whole; however, if a couple makes joint decisions in household matters, the prevalence of domestic violence is observed to be 24% less. Education and occupation of women, standard of living, media exposure, and partner's alcoholic behaviors are also found to be possible predictors of domestic violence. © The Author(s) 2014.

  2. Incoherent chimera and glassy states in coupled oscillators with frustrated interactions

    Science.gov (United States)

    Choe, Chol-Ung; Ri, Ji-Song; Kim, Ryong-Son

    2016-09-01

    We suggest a site disorder model that describes the population of identical oscillators with quenched random interactions for both the coupling strength and coupling phase. We obtain the reduced equations for the suborder parameters, on the basis of Ott-Antonsen ansatz theory, and present a complete bifurcation analysis of the reduced system. New effects include the appearance of the incoherent chimera and glassy state, both of which are caused by heterogeneity of the coupling phases. In the incoherent chimera state, the system displays an exotic symmetry-breaking behavior in spite of the apparent structural symmetry where the oscillators for both of the two subpopulations are in a frustrated state, while the phase distribution for each subpopulation approaches a steady state that differs from each other. When the incoherent chimera undergoes Hopf bifurcation, the system displays a breathing incoherent chimera. The glassy state that occurs on a surface of three-dimensional parameter space exhibits a continuum of metastable states with zero value of the global order parameter. Explicit formulas are derived for the system's Hopf, saddle-node, and transcritical bifurcation curves, as well as the codimension-2 crossing points, including the Takens-Bogdanov point.

  3. Standing wave plasmon modes interact in an antenna-coupled nanowire

    Science.gov (United States)

    Day, Jared; Large, Nicolas; Nordlander, Peter; Halas, Naomi

    2015-03-01

    In a standing wave optical cavity, the coupling of cavity modes, e.g. through a nonlinear medium, results in a rich variety of nonlinear dynamical phenomena, such as frequency pushing and pulling, mode-locking and pulsing, and modal instabilities. Metallic nanowires of finite length support a hierarchy of longitudinal surface plasmon modes with standing wave properties: the plasmonic analog of a Fabry-Pérot cavity. Here we show that positioning the nanowire within the gap of a plasmonic nanoantenna introduces a passive, hybridization-based coupling of the standing-wave nanowire plasmon modes with the antenna structure, mediating an interaction between the nanowire plasmon modes themselves. Frequency pushing and pulling, and the enhancement and suppression of specific plasmon modes, can be controlled and manipulated by nanoantenna position and shape. Dark-field spectroscopy, CL spectroscopy and imaging, and finite-difference time-domain calculations are performed to investigate these surface plasmon ``drift.'' Near-field coupling of nanoantennas to nanowire optical cavities shows that plasmon hybridization is a powerful strategy for controlling the radiative LDOS of nanowires, and could ultimately enable strategies for active control of emission properties in nanowire-based devices. Work funded by the Welch Foundation (C-1220, C-1222), the NSSEFF (N00244-09-1-0067), the ONR (N00014-10-1-0989), and the NSF (ECCS-1040478, CNS-0821727).

  4. The application of Biological-Hydraulic coupled model for Tubificidae-microorganism interaction system

    Science.gov (United States)

    Zhong, Xiao; Sun, Peide; Song, Yingqi; Wang, Ruyi; Fang, Zhiguo

    2010-11-01

    Based on the fully coupled activated sludge model (FCASM), the novel model Tubificidae -Fully Coupled Activated Sludge Model-hydraulic (T-FCASM-Hydro), has been developed in our previous work. T-FCASM-Hydro not only describe the interactive system between Tubificidae and functional microorganisms for the sludge reduction and nutrient removal simultaneously, but also considere the interaction between biological and hydraulic field, After calibration and validation of T-FCASM-Hydro at Zhuji Feida-hongyu Wastewater treatment plant (WWTP) in Zhejiang province, T-FCASM-Hydro was applied for determining optimal operating condition in the WWTP. Simulation results showed that nitrogen and phosphorus could be removed efficiently, and the efficiency of NH4+-N removal enhanced with increase of DO concentration. At a certain low level of DO concentration in the aerobic stage, shortcut nitrification-denitrification dominated in the process of denitrification in the novel system. However, overhigh agitation (>6 mgṡL-1) could result in the unfavorable feeding behavior of Tubificidae because of the strong flow disturbance, which might lead to low rate of sludge reduction. High sludge reduction rate and high removal rate of nitrogen and phosphorus could be obtained in the new-style oxidation ditch when DO concentration at the aerobic stage with Tubificidae was maintained at 3.6 gṡm-3.

  5. Fully Coupled Fluid-Structure Interaction Model Based on Distributed Lagrange Multiplier/Fictitious Domain Method

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    This paper, with a finite element method, studies the interaction of a coupled incompressible fluid-rigid structure system with a free surface subjected to external wave excitations. With this fully coupled model, the rigid structure is taken as "fictitious" fluid with zero strain rate. Both fluid and structure are described by velocity and pressure. The whole domain, including fluid region and structure region, is modeled by the incompressible Navier-Stokes equations which are discretized with fixed Eulerian mesh. However, to keep the structure's rigid body shape and behavior, a rigid body constraint is enforced on the "fictitious" fluid domain by use of the Distributed Lagrange Multiplier/Fictitious Domain (DLM/FD) method which is originally introduced to solve particulate flow problems by Glowinski et al. For the verification of the model presented herein, a 2D numerical wave tank is established to simulate small amplitude wave propagations, and then numerical results are compared with analytical solutions. Finally, a 2D example of fluid-structure interaction under wave dynamic forces provides convincing evidences for the method excellent solution quality and fidelity.

  6. Method of Moments of Coupled-Cluster Equations: Externally Corrected Approaches Employing Configuration Interaction Wave Functions

    Directory of Open Access Journals (Sweden)

    Ian S.O. Pimienta

    2002-05-01

    Full Text Available Abstract: A new approach to the many-electron correlation problem, termed the method of moments of coupled-cluster equations (MMCC, is further developed and tested. The main idea of the MMCC theory is that of the noniterative energy corrections which, when added to the energies obtained in the standard coupled-cluster calculations, recover the exact (full configuration interaction energy. The MMCC approximations require that a guess is provided for the electronic wave function of interest. The idea of using simple estimates of the wave function, provided by the inexpensive configuration interaction (CI methods employing small sets of active orbitals to define higher–than–double excitations, is tested in this work. The CI-corrected MMCC methods are used to study the single bond breaking in HF and the simultaneous breaking of both O–H bonds in H2O.

  7. Modelling Tropical Cyclones-Ocean interactions: the role of the Atmophere - Ocean coupling frequency

    Science.gov (United States)

    Scoccimarro, Enrico; Fogli, Pier Giuseppe; Gualdi, Silvio; Masina, Simona; Navarra, Antonio

    2016-04-01

    The interaction between Tropical Cyclones (TCs) and ocean is a major mechanism responsible for energy exchange between the atmosphere and the ocean. TCs affect the thermal and dynamical structure of the ocean, but the magnitude of the impact is still uncertain. Very few CMIP5 models demonstrated ability in representing TCs, mainly due to their horizontal resolution. We aim to improve TCs representation in next CMIPs experiments through the new CMCC-CM2VHR General Circulation Model, having a horizontal resolution of 1/4 degree in both atmospheric and ocean components. The model is capable to represent realistically TCs up to Cat-5 Typhoons. A good representation of the TC-Ocean interaction strongly depends on the coupling frequency between the atmospheric and the ocean components. In this work, we found that a better representation of the negative Sea Surface Temperature - TC induced feedback, through a high (hourly) coupling frequency, ensures the reduction of the TC induced Power Dissipation Index (PDI) bias of one order of magnitude. In addition, a cat-5 storm case study is deeply investigated also in terms of TC effects on the deep ocean.

  8. CFTR chloride channel in the apical compartments: spatiotemporal coupling to its interacting partners.

    Science.gov (United States)

    Li, Chunying; Naren, Anjaparavanda P

    2010-04-01

    The cystic fibrosis transmembrane conductance regulator (CFTR) is a cAMP-regulated chloride channel located primarily at the apical or luminal surfaces of epithelial cells in the airway, intestine, pancreas, kidney, sweat gland, as well as male reproductive tract, where it plays a crucial role in transepithelial fluid homeostasis. CFTR dysfunction can be detrimental and may result in life-threatening disorders. CFTR hypofunctioning because of genetic defects leads to cystic fibrosis, the most common lethal genetic disease in Caucasians, whereas CFTR hyperfunctioning resulting from various infections evokes secretory diarrhea, the leading cause of mortality in early childhood. Therefore, maintaining a dynamic balance between CFTR up-regulating processes and CFTR down-regulating processes is essential for maintaining fluid and body homeostasis. Accumulating evidence suggests that protein-protein interactions play a critical role in the fine-tuned regulation of CFTR function. A growing number of proteins have been reported to interact directly or indirectly with CFTR chloride channel, suggesting that CFTR might be coupled spatially and temporally to a wide variety of interacting partners including ion channels, receptors, transporters, scaffolding proteins, enzyme molecules, signaling molecules, and effectors. Most interactions occur primarily between the opposing terminal tails (amino or carboxyl) of CFTR protein and its binding partners, either directly or mediated through various PDZ scaffolding proteins. These dynamic interactions impact the channel function, as well as localization and processing of CFTR protein within cells. This article reviews the most recent progress and findings about the interactions between CFTR and its binding partners through PDZ scaffolding proteins, as well as the spatiotemporal regulation of CFTR-containing macromolecular signaling complexes in the apical compartments of polarized cells lining the secretory epithelia.

  9. Skin to skin interactions. Does the infant massage improve the couple functioning?

    Directory of Open Access Journals (Sweden)

    Antonio eGnazzo

    2015-09-01

    Full Text Available Transition to parenthood is a critical stage of life due to several changes the couple has to handle. A large body of studies described how transition to parenthood can be linked to the onset of depressive symptoms, as well as the perception of a low social support, and an increased stress, representing a risk for the early mother—baby relationship. Infant Massage (IM emerged as an helpful tool to improve maternal skills in interacting with the baby, and leading toward a decreasing of post partum symptoms. However, a growing body of literature highlights that men also may experience post-partum diseases, representing an additional risk for the development of the baby. To date, no study observed the impact of the infant massage on both partners. The aim of the current qualitative research is to observe the impact of the IM on a single couple of parents at childbirth. Pre (Time 1 and post-intervention (Time 3 procedure has been established to observe the changes occurring over the time in the couple. In particular, each member of the couple filled out the EPDS, the BDI-II, the MSPSS and the PSI-SF both at Time 1 and at Time 3. The treatment (Time 2 was represented by the IM training, and lasted 4 weeks. Findings revealed a decrease in depressive symptoms in both partners, as well as an improvement of their perception of stress related to parental role. No changes has been detected with respect to the perception of social support. The IM seems to be a helpful approach to prevent the establishment of pathological conditions in new parents. Although no direct measures on the child were used, the current qualitative data seem to suggest that the IM may represent a valuable tool to prevent the onset of early negative outcomes of the baby. Further investigations and empirical data are needed to improve the knowledge in this field.

  10. Vector chirality for effective total momentum Jeff in a nonfrustrated Mott insulator: Effects of strong spin-orbit coupling and broken inversion symmetry

    Science.gov (United States)

    Arakawa, Naoya

    2016-11-01

    I propose the emergence of the spin-orbital-coupled vector chirality in a nonfrustrated Mott insulator with the strong spin-orbit coupling due to a b -plane's inversion-symmetry (IS) breaking. I derive the superexchange interactions for a t2 g-orbital Hubbard model on a square lattice with the strong spin-orbit coupling and the IS-breaking-induced hopping integrals, and explain the microscopic origins of the Dzyaloshinsky-Moriya (DM) -type and the Kitaev-type interactions. Then, by adopting the mean-field approximation to a minimal model including only the Heisenberg-type and the DM-type nearest-neighbor interactions, I show that the IS breaking causes the spin-orbital-coupled chirality as a result of stabilizing the screw state. I also highlight the limit of the hard-pseudospin approximation in discussing the stability of the screw states in the presence of both the DM-type and the Kitaev-type interactions, and discuss its meaning. I finally discuss the effects of tetragonal crystal field and Jeff=3/2 states, and the application to the iridates near the [001 ] surface of Sr2IrO4 and the interface between Sr2IrO4 and Sr3Ir2O7 .

  11. Configuration interaction studies on the spectroscopic properties of PbO including spin orbit coupling

    Institute of Scientific and Technical Information of China (English)

    罗旺; 李瑞; 盖志强; 艾瑞波; 张宏民; 张晓美; 闫冰

    2016-01-01

    Lead oxide (PbO), which plays the key roles in a range of research fields, has received a great deal of attention. Owing to the large density of electronic states and heavy atom Pb including in PbO, the excited states of the molecule have not been well studied. In this work, high level multireference configuration interaction calculations on the low-lying states of PbO have been carried out by utilizing the relativistic effective core potential. The effects of the core-valence correlation correction, the Davidson modification, and the spin–orbital coupling on the electronic structure of the PbO molecule are estimated. The potential energy curves of 18Λ-S states correlated to the lowest dissociation limit (Pb (3Pg)+O(3Pg)) are reported. The calculated spectroscopic parameters of the electronic states below 30000 cm−1, for instance, X1Σ+, 13Σ+, and 13Σ−, and their spin–orbit coupling interaction, are compared with the experimental results, and good agreements are derived. The dipole moments of the 18Λ-S states are computed with the configuration interaction method, and the calculated dipole moments of X1Σ+and 13Σ+are consistent with the previous experimental results. The transition dipole moments from 11Π, 21Π, and 21Σ+to X1Σ+and other singlet excited states are estimated. The radiative lifetime of several low-lying vibrational levels of 11Π, 21Π, and 21Σ+states are evaluated.

  12. Configuration interaction studies on the spectroscopic properties of PbO including spin-orbit coupling

    Science.gov (United States)

    Wang, Luo; Rui, Li; Zhiqiang, Gai; RuiBo, Ai; Hongmin, Zhang; Xiaomei, Zhang; Bing, Yan

    2016-07-01

    Lead oxide (PbO), which plays the key roles in a range of research fields, has received a great deal of attention. Owing to the large density of electronic states and heavy atom Pb including in PbO, the excited states of the molecule have not been well studied. In this work, high level multireference configuration interaction calculations on the low-lying states of PbO have been carried out by utilizing the relativistic effective core potential. The effects of the core-valence correlation correction, the Davidson modification, and the spin-orbital coupling on the electronic structure of the PbO molecule are estimated. The potential energy curves of 18 Λ-S states correlated to the lowest dissociation limit (Pb (3Pg) + O(3Pg)) are reported. The calculated spectroscopic parameters of the electronic states below 30000 cm-1, for instance, X1Σ+, 13Σ+, and 13Σ-, and their spin-orbit coupling interaction, are compared with the experimental results, and good agreements are derived. The dipole moments of the 18 Λ-S states are computed with the configuration interaction method, and the calculated dipole moments of X1Σ+ and 13Σ+ are consistent with the previous experimental results. The transition dipole moments from 11Π, 21Π, and 21Σ+ to X1Σ+ and other singlet excited states are estimated. The radiative lifetime of several low-lying vibrational levels of 11Π, 21Π, and 21Σ+ states are evaluated. Project supported by the National Natural Science Foundation of China (Grant Nos. 11404180 and 11574114), the Natural Science Foundation of Heilongjiang Province, China (Grant No. A2015010), the University Nursing Program for Young Scholars with Creative Talents in Heilongjiang Province, China (Grant No. UNPYSCT-2015095), and the Natural Science Foundation of Jilin Province, China (Grant No. 20150101003JC).

  13. [The method of personal interaction laboratories applied to groups of married couples].

    Science.gov (United States)

    Pérez Upegui, P

    1975-03-01

    The aim of Personal Interaction Laboratories is not to overcome or to solve any marriage problem or maladjustment. They provide an intense, quick experience, in which the participants get a rare chance to examine the way they are interacting with each other's partner, and the degree of mutual adaptation. A peculiar atmosphere of trust and reliability is usually created in the group, and grows steadily according to the increasing willingness of all members to share a higher degree of intimacy. This climate allows for deep emotional exchanges through which persons and couples gain a fresh view of themselves, allowing a long lasting drive for improving their life patterns. This report briefs the results of four Laboratories for married couples sponsored by the Human Welfare Foundation ("Fundación para el Bienestar Humano"), at Medellín-Colombia, in 1971 and 1972; they included 8, 10, 6 and 12 couples, that is, 36 in all. Participation in the Laboratories was set on a strictly voluntary basis; information was provided to personnel of the main industrial and commercial corporations, and interested prospective candidates applied for admission. The couples were selected according to their socio-economical level (medium and lower-medium), their educational background (at least two years of high school), and their lack of apparent mental symptoms. A special country resort was selected for the Laboratories, in order to guarantee adequate isolation for the group and no possible contacts with the familiar environment. Sessions were started on Wednesdays at 8 pm and closed on Sundays at 1.30 pm. The available time was completely devoted to Laboratory activities, allowing only short breaks for meals. T-group sessions took most of the time. They were given special attention, being at the core of group development. Each session was 90 to 120 minutes long; a total of nine were programmed. There were complementary activities, such as lectures on marriage counseling, group

  14. Soliton solution and interaction property for a coupled modified Korteweg-de Vries (mKdV) system

    Institute of Scientific and Technical Information of China (English)

    Yang Jian-Rong; Mao Jie-Jian

    2008-01-01

    Hirota's bilinear direct method is applied to constructing soliton solutions to a special coupled modified Korteweg de Vries (mKdV) system. Some physical properties such as the spatiotemporal evolution, waveform structure, interactive phenomena of solitons are discussed, especially in the two-soliton case. It is found that different interactive behaviours of solitary waves take place under different parameter conditions of overtaking collision in this system. It is verified that the elastic interaction phenomena exist in this (11)-dimensionai integrable coupled model.

  15. Quantum control of two interacting electrons in a coupled quantum dot

    Institute of Scientific and Technical Information of China (English)

    Song Hong-Zhou; Zhang Ping; Duan Su-Qing; Zhao Xian-Geng

    2006-01-01

    Quantum-state engineering, i.e. active manipulation over the coherent dynamics of suitable quantum-mechanical systems, has become a fascinating prospect of modern physics. Here we discuss the dynamics of two interacting electrons in a coupled quantum dot driven by an external electric field. The results show that the two quantum dots can be used to prepare a maximally entangled Bell state by changing the strength and duration of an oscillatory electric field. Different from the suggestion made by Loss et al (1998 Phys. Rev. A 57 120), the present entanglement involves the spatial degree of freedom for the two electrons. We also find that the coherent tunnelling suppression discussed by Grossmann et al (1991 Phys. Rev. Lett. 67 516) persists in the two-particle case: i.e. two electrons initially localized in one dot can remain dynamically localized, although the strong Coulomb repulsion prevents them from behaving so. Surprisingly,the interaction enhances the degree of localization to a large extent compared with that in the non-interacting case.This phenomenon is referred to as the Coulomb-enhanced dynamical localization.

  16. Hybrid Genetic Algorithm Based Optimization of Coupled HMM for Complex Interacting Processes Recognition

    Institute of Scientific and Technical Information of China (English)

    Liu Jianghua(刘江华); Chen Jiapin; Cheng Junshi

    2004-01-01

    Coupled Hidden Markov Model (CHMM) is the extension of traditional HMM, which is mainly used for complex interactive process modeling such as two-hand gestures. However, the problems of finding optimal model parameter are still of great interest to the researches in this area. This paper proposes a hybrid genetic algorithm (HGA) for the CHMM training. Chaos is used to initialize GA and used as mutation operator. Experiments on Chinese TaiChi gestures show that standard GA (SGA) based CHMM training is superior to Maximum Likelihood (ML) HMM training. HGA approach has the highest recognition rate of 98.0769%, then 96.1538% for SGA. The last one is ML method, only with a recognition rate of 69.2308%.

  17. Particle-hole excitations in the interacting boson model; 4, the U(5)-SU(3) coupling

    CERN Document Server

    De Coster, C; Heyde, Kris L G; Jolie, J; Lehmann, H; Wood, J L

    1999-01-01

    In the extended interacting boson model (EIBM) both particle- and hole-like bosons are incorporated to encompass multi-particle-multi-hole excitations at and near to closed shells.We apply the group theoretical concepts of the EIBM to the particular case of two coexisting systems in the same nucleus exhibiting a U(5) (for the regular configurations) and an SU(3) symmetry (for the intruder configurations).Besides the description of ``global'' symmetry aspects in terms of I-spin , also the very specific local mixing effects characteristic for the U(5)-SU(3) symmetry coupling are studied.The model is applied to the Po isotopes and a comparison with a morerealistic calculation is made.

  18. A class of Z' models with non-universal couplings and protected flavor-changing interactions

    CERN Document Server

    Fuentes-Martin, Javier

    2015-01-01

    Motivated by the $b\\to s\\ell^+\\ell^-$ anomalies recently reported by the LHCb collaboration, I present a class of flavored U(1)' gauge extensions of the Standard Model that naturally accommodates them and possesses a rich phenomenology. This model is characterized by the presence of tree-level flavor-changing interactions in the down-quark sector, protected by off-diagonal quark-mixing matrix elements. Anomaly cancellation fixes the extension of the symmetry to the lepton sector in a very specific way, giving rise to flavor-conserving family-non-universal Z' couplings. The fermion content of this model is the same as in the SM while the scalar sector is extended with an extra Higgs doublet and a scalar singlet. The model will be tested in the next run of LHC and presents specific correlations in certain flavor observables that allow to clearly discriminate among them and from other new physics signals.

  19. A fully-coupled fluid-structure interaction simulation of cerebral aneurysms

    Science.gov (United States)

    Bazilevs, Y.; Hsu, M.-C.; Zhang, Y.; Wang, W.; Liang, X.; Kvamsdal, T.; Brekken, R.; Isaksen, J. G.

    2009-10-01

    This paper presents a computational vascular fluid-structure interaction (FSI) methodology and its application to patient-specific aneurysm models of the middle cerebral artery bifurcation. A fully coupled fluid-structural simulation approach is reviewed, and main aspects of mesh generation in support of patient-specific vascular FSI analyses are presented. Quantities of hemodynamic interest such as wall shear stress and wall tension are studied to examine the relevance of FSI modeling as compared to the rigid arterial wall assumption. We demonstrate the importance of including the flexible wall modeling in vascular blood flow simulations by performing a comparison study that involves four patient-specific models of cerebral aneurysms varying in shape and size.

  20. Coulomb-interaction induced coupling of Landau levels in intrinsic and modulation-doped quantum wells

    Science.gov (United States)

    Paul, J.; Stevens, C. E.; Zhang, H.; Dey, P.; McGinty, D.; McGill, S. A.; Smith, R. P.; Reno, J. L.; Turkowski, V.; Perakis, I. E.; Hilton, D. J.; Karaiskaj, D.

    2017-06-01

    We have performed two-dimensional Fourier transform spectroscopy on intrinsic and modulation doped quantum wells in external magnetic fields up to 10 T. In the undoped sample, the strong Coulomb interactions and the increasing separations of the electron and hole charge distributions with increasing magnetic fields lead to a nontrivial in-plane dispersion of the magneto-excitons. Thus, the discrete and degenerate Landau levels are coupled to a continuum. The signature of this continuum is the emergence of elongated spectral line shapes at the Landau level energies, which are exposed by the multidimensional nature of our technique. Surprisingly, the elongation of the peaks is completely absent in the lowest Landau level spectra obtained from the modulation doped quantum well at high fields.

  1. Suppression of Spiral Waves and Spatiotemporal Chaos Under Local Self-adaptive Coupling Interactions

    Institute of Scientific and Technical Information of China (English)

    MA Jun; WU Ning-Jie; YING He-Ping; YUAN Li-Hua

    2006-01-01

    In this paper, a close-loop feedback control is imposed locally on the Fitzhugh-Nagumo (FHN) system to suppress the stable spirals and spatiotemporal chaos according to the principle of self-adaptive coupling interaction. The simulation results show that an expanding target wave is stimulated by the spiral waves under dynamic control period when a local area of 5 x 5 grids is controlled, or the spiral tip is driven to the board of the system. It is adso found that the spatiotemporal chaos can be suppressed to get a stable homogeneous state within 50 time units as two local grids are controlled mutually. The mechanism of the scheme is briefly discussed.

  2. Topics in HPM (High-Power Microwave) generation, coupling, and interaction

    Science.gov (United States)

    Casey, Kendall F.

    1990-01-01

    A collection is presented of technical notes on various aspects of high power microwave (HPM) generation, coupling, and interaction. Time and resources did not permit either as detailed an editing job would have been desirable, or recalculation and plotting of the numerical results in a more elegant form. It is to be hoped, however, that this integrated document will prove useful to the community. The selection of topics addressed in the Microwave Notes was influenced by questions which arose at various stages of the author's involvement in HPM-related activities. The subject of pulse radiation from aperture antennas subject to turn-on time errors, for example, arose in the context of a proposed HPM generation scheme. Consideration of the scattering cross-section of a simple dipole and of its dual problem, the effective area of a thin slot, was motivated by the need to understand the penetration of such slot apertures by HPM pulses.

  3. Emergence of global scaling behaviour in the coupled Earth-atmosphere interaction

    CERN Document Server

    Fallah, Bijan; Sodoudi, Sahar

    2016-01-01

    Scale invariance property in the global geometry of Earth may lead to a coupled interactive behaviour between various components of the climate system. One of the most interesting correlations exists between spatial statistics of the global topography and the temperature on Earth. Here we show that the power-law behaviour observed in the Earth topography via different approaches, resembles a scaling law in the global spatial distribution of independent atmospheric parameters. We report on observation of scaling behaviour of such variables characterized by distinct universal exponents. More specifically, we find that the spatial power-law behaviour in the fluctuations of the near surface temperature over the lands on Earth, shares the same universal exponent as of the global Earth topography, indicative of the global persistent role of the static geometry of Earth to control the steady state of a dynamical atmospheric field. Such a universal feature can pave the way to the theoretical understanding of the chao...

  4. Emergence of global scaling behaviour in the coupled Earth-atmosphere interaction

    Science.gov (United States)

    Fallah, Bijan; Saberi, Abbas Ali; Sodoudi, Sahar

    2016-01-01

    Scale invariance property in the global geometry of Earth may lead to a coupled interactive behaviour between various components of the climate system. One of the most interesting correlations exists between spatial statistics of the global topography and the temperature on Earth. Here we show that the power-law behaviour observed in the Earth topography via different approaches, resembles a scaling law in the global spatial distribution of independent atmospheric parameters. We report on observation of scaling behaviour of such variables characterized by distinct universal exponents. More specifically, we find that the spatial power-law behaviour in the fluctuations of the near surface temperature over the lands on Earth, shares the same universal exponent as of the global Earth topography, indicative of the global persistent role of the static geometry of Earth to control the steady state of a dynamical atmospheric field. Such a universal feature can pave the way to the theoretical understanding of the chaotic nature of the atmosphere coupled to the Earth’s global topography. PMID:27666675

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    Sayfutyarova, Elvira R; Chan, Garnet Kin-Lic

    2016-06-21

    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.

  7. Laser-material interactions: A study of laser energy coupling with solids

    Energy Technology Data Exchange (ETDEWEB)

    Shannon, M A [Lawrence Berkeley Lab., CA (United States)

    1993-11-01

    This study of laser-light interactions with solid materials ranges from low-temperature heating to explosive, plasma-forming reactions. Contained are four works concerning laser-energy coupling: laser (i) heating and (ii) melting monitored using a mirage effect technique, (iii) the mechanical stress-power generated during high-powered laser ablation, and (iv) plasma-shielding. First, a photothermal deflection (PTD) technique is presented for monitoring heat transfer during modulated laser heating of opaque solids that have not undergone phase-change. Of main interest is the physical significance of the shape, magnitude, and phase for the temporal profile of the deflection signal. Considered are the effects that thermophysical properties, boundary conditions, and geometry of the target and optical probe-beam have on the deflection response. PTD is shown to monitor spatial and temporal changes in heat flux leaving the surface due to changes in laser energy coupling. The PTD technique is then extended to detect phase-change at the surface of a solid target. Experimental data shows the onset of melt for indium and tin targets. The conditions for which melt can be detected by PTD is analyzed in terms of geometry, incident power and pulse length, and thermophysical properties of the target and surroundings. Next, monitoring high-powered laser ablation of materials with stress-power is introduced. The motivation for considering stress-power is given, followed by a theoretical discussion of stress-power and how it is determined experimentally. Experiments are presented for the ablation of aluminum targets as a function of energy and intensity. The stress-power response is analyzed for its physical significance. Lastly, the influence of plasma-shielding during high-powered pulsed laser-material interactions is considered. Crater size, emission, and stress-power are measured to determine the role that the gas medium and laser pulse length have on plasma shielding.

  8. Reentrant phenomenon and inverse magnetocaloric effect in a generalized spin-(1/2,  s) Fisher’s super-exchange antiferromagnet

    Science.gov (United States)

    Gálisová, Lucia

    2016-11-01

    The thermodynamic and magnetocaloric properties of a generalized spin-(1/2,  s) Fisher’s super-exchange antiferromagnet are investigated precisely by using the decoration-iteration mapping transformation. Besides the critical temperature, sublattice magnetization, total magnetization, entropy and specific heat, the isothermal entropy change and adiabatic temperature change are also rigorously calculated in order to examine the cooling efficiency of the model in the vicinity of the first- and second-order phase transitions. It is shown that an enhanced inverse magnetocaloric effect occurs around the temperature interval {{T}\\text{c}}(B\

  9. Coupled calculation of the airflow interaction with elastic rod of square cross section

    Science.gov (United States)

    Pogudalina, S. V.; Fedorova, N. N.; Valger, S. A.

    2016-10-01

    The paper presents the results of numerical modeling of vibration of an elastic rod mounted normal to external flow and fixed rigidly to a substrate. The simulation is performed with ANSYS software using the technology of bidirectional coupling (2FSI). The hydrodynamic, conjugate and modal analysis have been performed. The structure of the air flow in the vicinity of the model was analyzed. The oscillations of the elastic model were revealed and the stress - strain state was obtained. The natural frequencies of the rod and corresponding vibration shapes are found. To prevent undesired vibrations of elastic structures which can lead to their destruction, the interaction of structures with external air flow must the considered. Related physical processes in which movement of the air has an impact on the behavior of deformable objects (Fluid Structure Interaction, FSI) are a key element in many engineering problems of aviation and civil engineering. Aeroelasticity phenomenon must be considered when creating modern aircraft, designing high-rise and extended buildings.

  10. Fluid-structure interaction including volumetric coupling with homogenised subdomains for modeling respiratory mechanics.

    Science.gov (United States)

    Yoshihara, Lena; Roth, Christian J; Wall, Wolfgang A

    2017-04-01

    In this article, a novel approach is presented for combining standard fluid-structure interaction with additional volumetric constraints to model fluid flow into and from homogenised solid domains. The proposed algorithm is particularly interesting for investigations in the field of respiratory mechanics as it enables the mutual coupling of airflow in the conducting part and local tissue deformation in the respiratory part of the lung by means of a volume constraint. In combination with a classical monolithic fluid-structure interaction approach, a comprehensive model of the human lung can be established that will be useful to gain new insights into respiratory mechanics in health and disease. To illustrate the validity and versatility of the novel approach, three numerical examples including a patient-specific lung model are presented. The proposed algorithm proves its capability of computing clinically relevant airflow distribution and tissue strain data at a level of detail that is not yet achievable, neither with current imaging techniques nor with existing computational models. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  11. Non-conservation of energy arising from atomic dipole interactions and its effects on light field and coupled atoms

    Institute of Scientific and Technical Information of China (English)

    董传华

    2003-01-01

    The interactions between coupled atoms and a single mode of a quantized electromagnetic field, which involve the terms originating from the dipole interactions, are discussed. In the usual Jaynes Cummings model for coupled atoms,the terms of non-conservation of energy originating from dipole interactions are neglected, however, we take them into consideration in this paper. The effects of these terms on the evolutions of quantum statistic properties and squeezing of the field, the squeezing of atomic dipole moments and atomic population inversion are investigated. It has been shown that the coupling between atoms modulates these evolutions of fields and atoms. The terms of non-conservation of energy affect these evolutions of fields and atoms slightly. They also have effects on the squeezing of the field, the squeezing of atomic dipole and atomic population inversions. The initial states of atoms also affect these properties.

  12. A Comparison of One-Way and Two-Way Coupling Methods for Numerical Analysis of Fluid-Structure Interactions

    Directory of Open Access Journals (Sweden)

    Friedrich-Karl Benra

    2011-01-01

    Full Text Available The interaction between fluid and structure occurs in a wide range of engineering problems. The solution for such problems is based on the relations of continuum mechanics and is mostly solved with numerical methods. It is a computational challenge to solve such problems because of the complex geometries, intricate physics of fluids, and complicated fluid-structure interactions. The way in which the interaction between fluid and solid is described gives the largest opportunity for reducing the computational effort. One possibility for reducing the computational effort of fluid-structure simulations is the use of one-way coupled simulations. In this paper, different problems are investigated with one-way and two-way coupled methods. After an explanation of the solution strategy for both models, a closer look at the differences between these methods will be provided, and it will be shown under what conditions a one-way coupling solution gives plausible results.

  13. Constraints on Scalar-Pseudoscalar and Tensorial Non-Standard Interaction and Tensorial Unparticle Couplings from Neutrino-Electron Scattering

    CERN Document Server

    Sevda, B; Kerman, S; Singh, L; Wong, H T; Zeyrek, M

    2016-01-01

    Neutrino-electron scattering is a purely leptonic fundamental interaction and therefore provides an important channel to test Standard Model (SM) especially at the low energy-momentum transfer regime. We derived constraints on neutrino Non-Stardard-Interactions (NSI) couplings depending on model independent approaches which are described by a four-Fermi point like interaction and Unparticle Physics model with tensorial components. Data on nuebar-e and nue-e scattering from the TEXONO and LSND experiments, respectively, are used. The upper limits and the allowed regions of scalar, pseudoscalar and tensorial NSI couplings of neutrinos are derived at 90\\% confidence level in both one-parameter and two-parameter analysis. New upper limits for tensorial unparticle physics coupling constants and mass parameters are also placed.

  14. Coupling R and PHREEQC: an interactive and extensible environment for efficient programming of geochemical models

    Science.gov (United States)

    De Lucia, Marco; Kühn, Michael

    2013-04-01

    PHREEQC [1] is a widely used non-interactive open source software for speciation, batch-reactions, one-dimensional transport, and inverse geochemical caclulations. It represents the tool of choice for many researchers and practicioners for a broad set of geochemical problems, underground CO2 storage among others. Its open source nature, the flexibility to program arbitrary kinetic laws for the chemical reactions, as well as a thorough implementation of the Pitzer formalism explain its success and longevity. However, its non-interactive architecture make it cumbersome to couple PHREEQC to transport programs to achieve reactive transport simulations [2], but also to overcome the limitations of PHREEQC itself regarding the setup of large numbers of simulations - for example exploring wide ranges of conditions - and the graphical evaluation of the results. This has been the main motivation leading to the development of an interface with the high level language and environment for statistical computing and graphics GNU R [3]. The interface consists of minor modifications in PHREEQC's C source code, only affecting data I/O, plus on the R side a bunch of helper functions used to setup the simulations - basically automated manipulation of PHREEQC's input files, which are text files - and to collect and visualize the results. The most relevant subset of PHREEQC's capabilities and features are fully usable through the interface. Illustratory examples for the utility of this programmable interface were given in the framework of the research project this developement originated from: CLEAN [4], a project investigating the feasibility of enhanced gas recovery combined with CO2 storage. This interface allowed us to successfully and easily manipulate, compare and refit chemical databases, perform sensitivity analysis by combinatory variations of parameters, and all that in an environment which is both scriptable and interactive, with all results directly available for further

  15. Multiple Pairwise Analysis of Non-homologous Centromere Coupling Reveals Preferential Chromosome Size-Dependent Interactions and a Role for Bouquet Formation in Establishing the Interaction Pattern.

    Science.gov (United States)

    Lefrançois, Philippe; Rockmill, Beth; Xie, Pingxing; Roeder, G Shirleen; Snyder, Michael

    2016-10-01

    During meiosis, chromosomes undergo a homology search in order to locate their homolog to form stable pairs and exchange genetic material. Early in prophase, chromosomes associate in mostly non-homologous pairs, tethered only at their centromeres. This phenomenon, conserved through higher eukaryotes, is termed centromere coupling in budding yeast. Both initiation of recombination and the presence of homologs are dispensable for centromere coupling (occurring in spo11 mutants and haploids induced to undergo meiosis) but the presence of the synaptonemal complex (SC) protein Zip1 is required. The nature and mechanism of coupling have yet to be elucidated. Here we present the first pairwise analysis of centromere coupling in an effort to uncover underlying rules that may exist within these non-homologous interactions. We designed a novel chromosome conformation capture (3C)-based assay to detect all possible interactions between non-homologous yeast centromeres during early meiosis. Using this variant of 3C-qPCR, we found a size-dependent interaction pattern, in which chromosomes assort preferentially with chromosomes of similar sizes, in haploid and diploid spo11 cells, but not in a coupling-defective mutant (spo11 zip1 haploid and diploid yeast). This pattern is also observed in wild-type diploids early in meiosis but disappears as meiosis progresses and homologous chromosomes pair. We found no evidence to support the notion that ancestral centromere homology plays a role in pattern establishment in S. cerevisiae post-genome duplication. Moreover, we found a role for the meiotic bouquet in establishing the size dependence of centromere coupling, as abolishing bouquet (using the bouquet-defective spo11 ndj1 mutant) reduces it. Coupling in spo11 ndj1 rather follows telomere clustering preferences. We propose that a chromosome size preference for centromere coupling helps establish efficient homolog recognition.

  16. Coupling Data Mining and Laboratory Experiments to Discover Drug Interactions Causing QT Prolongation.

    Science.gov (United States)

    Lorberbaum, Tal; Sampson, Kevin J; Chang, Jeremy B; Iyer, Vivek; Woosley, Raymond L; Kass, Robert S; Tatonetti, Nicholas P

    2016-10-18

    QT interval-prolonging drug-drug interactions (QT-DDIs) may increase the risk of life-threatening arrhythmia. Despite guidelines for testing from regulatory agencies, these interactions are usually discovered after drugs are marketed and may go undiscovered for years. Using a combination of adverse event reports, electronic health records (EHR), and laboratory experiments, the goal of this study was to develop a data-driven pipeline for discovering QT-DDIs. 1.8 million adverse event reports were mined for signals indicating a QT-DDI. Using 1.6 million electrocardiogram results from 380,000 patients in our institutional EHR, these putative interactions were either refuted or corroborated. In the laboratory, we used patch-clamp electrophysiology to measure the human ether-à-go-go-related gene (hERG) channel block (the primary mechanism by which drugs prolong the QT interval) to evaluate our top candidate. Both direct and indirect signals in the adverse event reports provided evidence that the combination of ceftriaxone (a cephalosporin antibiotic) and lansoprazole (a proton-pump inhibitor) will prolong the QT interval. In the EHR, we found that patients taking both ceftriaxone and lansoprazole had significantly longer QTc intervals (up to 12 ms in white men) and were 1.4 times more likely to have a QTc interval above 500 ms. In the laboratory, we found that, in combination and at clinically relevant concentrations, these drugs blocked the hERG channel. As a negative control, we evaluated the combination of lansoprazole and cefuroxime (another cephalosporin), which lacked evidence of an interaction in the adverse event reports. We found no significant effect of this pair in either the EHR or in the electrophysiology experiments. Class effect analyses suggested this interaction was specific to lansoprazole combined with ceftriaxone but not with other cephalosporins. Coupling data mining and laboratory experiments is an efficient method for identifying QT

  17. Characterization of G-protein coupled receptor kinase interaction with the neurokinin-1 receptor using bioluminescence resonance energy transfer

    DEFF Research Database (Denmark)

    Jorgensen, Rasmus; Holliday, Nicholas D; Hansen, Jakob L

    2007-01-01

    To analyze the interaction between the neurokinin-1 (NK-1) receptor and G-protein coupled receptor kinases (GRKs), we performed bioluminescence resonance energy transfer(2) (BRET(2)) measurements between the family A NK-1 receptor and GRK2 and GRK5 as well as their respective kinase-inactive muta......To analyze the interaction between the neurokinin-1 (NK-1) receptor and G-protein coupled receptor kinases (GRKs), we performed bioluminescence resonance energy transfer(2) (BRET(2)) measurements between the family A NK-1 receptor and GRK2 and GRK5 as well as their respective kinase...

  18. Electric-Field Coupling to Spin Waves in a Centrosymmetric Ferrite

    Science.gov (United States)

    Liu, Tianyu

    A systematic control of spin waves via external electric fields has been a long standing issue for the design of magnonic devices, and is of fundamental interest. One way to attain such control is to use multiferroics, whose electric and magnetic polarizations are inherently coupled. The lack of electric polarization in a centrosymmetric ferrite, however, makes direct coupling of its magnetization to external electric fields a challenge. Indirect electric control of spin waves has been accomplished by hybridizing yttrium iron garnet (YIG), a centrosymmetric ferrite, with a piezoelectric material. Here, we predict direct control of spin waves in YIG by a flexoelectric interaction, which couples an electric field to the spatial gradient of the magnetization, and thus the spin waves. Based on a superexchange model, which describes the antiferromagnetic coupling between two nearest neighbor iron ions through an oxygen ion, including spin-orbit coupling, we estimate the coupling constant and predict a phase shift linear in the applied electric fields. The theory is then confirmed by experimental measurement of the electric-field-induced phase shift in a YIG waveguide. In addition to the flexoelectric effect, another electric effect is observed, which couples the electric field directly with the magnetization of YIG. We call this a magnetoelectric effect. By adjusting the direction of the electric field, the two effects can be well separated. Experimental results agree quantitatively with the theoretical prediction. A phenomenological coupling constant for the magnetoelectric effect is also obtained. Our findings point to an important avenue for manipulating spin waves and developing electrically tunable magnonic devices.

  19. Ab initio characterization of electron transfer coupling in photoinduced systems: generalized Mulliken-Hush with configuration-interaction singles.

    Science.gov (United States)

    Chen, Hung-Cheng; Hsu, Chao-Ping

    2005-12-29

    To calculate electronic couplings for photoinduced electron transfer (ET) reactions, we propose and test the use of ab initio quantum chemistry calculation for excited states with the generalized Mulliken-Hush (GMH) method. Configuration-interaction singles (CIS) is proposed to model the locally excited (LE) and charge-transfer (CT) states. When the CT state couples with other high lying LE states, affecting coupling values, the image charge approximation (ICA), as a simple solvent model, can lower the energy of the CT state and decouple the undesired high-lying local excitations. We found that coupling strength is weakly dependent on many details of the solvent model, indicating the validity of the Condon approximation. Therefore, a trustworthy value can be obtained via this CIS-GMH scheme, with ICA used as a tool to improve and monitor the quality of the results. Systems we tested included a series of rigid, sigma-linked donor-bridge-acceptor compounds where "through-bond" coupling has been previously investigated, and a pair of molecules where "through-space" coupling was experimentally demonstrated. The calculated results agree well with experimentally inferred values in the coupling magnitudes (for both systems studied) and in the exponential distance dependence (for the through-bond series). Our results indicate that this new scheme can properly account for ET coupling arising from both through-bond and through-space mechanisms.

  20. Quantifying Environmental Effects on the Decay of Hole Transfer Couplings in Biosystems

    CERN Document Server

    Ramos, Pablo

    2013-01-01

    In the past two decades, many research groups worldwide have tried to understand and categorize simple regimes in the charge transfer of such biological systems as DNA. However, DNA charge transfer has never been more elusive than today. Several concurring causes are to blame: non-exact theories for electron--nuclear dynamics on one side, and poor quality of the parameters needed by model Hamiltonians and nonadiabatic dynamics alike (such as couplings and site energies) on the other. In this work, we present an application of a previously benchmarked, accurate, and linear-scaling subsystem DFT method for the calculation of couplings, site energies and superexchange decay factors ($\\beta$) of several biological donor-acceptor dyads as well as double stranded DNA oligomers comprised of up to 5 base pairs. The calculations are all-electron, and provide a clear view of the role of the environment on superexchange couplings in DNA -- they follow experimental trends and confirm previous semiempirical calculations. ...

  1. Response of different regional online coupled models to aerosol-radiation interactions

    Science.gov (United States)

    Forkel, Renate; Balzarini, Alessandra; Brunner, Dominik; Baró, Rocio; Curci, Gabriele; Hirtl, Marcus; Honzak, Luka; Jiménez-Guerrero, Pedro; Jorba, Oriol; Pérez, Juan L.; Pirovano, Guido; San José, Roberto; Schröder, Wolfram; Tuccella, Paolo; Werhahn, Johannes; Wolke, Ralf; Žabkar, Rahela

    2016-04-01

    The importance of aerosol-meteorology interactions and their representation in online coupled regional atmospheric chemistry-meteorology models was investigated in COST Action ES1004 (EuMetChem, http://eumetchem.info/). Case study results from different models (COSMO-Muscat, COSMO-ART, and different configurations of WRF-Chem), which were applied for Europe as a coordinated exercise for the year 2010, are analyzed with respect to inter-model variability and the response of the different models to direct and indirect aerosol-radiation interactions. The main focus was on two episodes - the Russian heat wave and wildfires episode in July/August 2010 and a period in October 2010 with enhanced cloud cover and rain and including an of Saharan dust transport to Europe. Looking at physical plausibility the decrease in downward solar radiation and daytime temperature due to the direct aerosol effect is robust for all model configurations. The same holds for the pronounced decrease in cloud water content and increase in solar radiation for cloudy conditions and very low aerosol concentrations that was found for WRF-Chem when aerosol cloud interactions were considered. However, when the differences were tested for statistical significance no significant differences in mean solar radiation and mean temperature between the baseline case and the simulations including the direct and indirect effect from simulated aerosol concentrations were found over Europe for the October episode. Also for the fire episode differences between mean temperature and radiation from the simulations with and without the direct aerosol effect were not significant for the major part of the modelling domain. Only for the region with high fire emissions in Russia, the differences in mean solar radiation and temperature due to the direct effect were found to be significant during the second half of the fire episode - however only for a significance level of 0.1. The few observational data indicate that

  2. A density functional theory study of the magnetic exchange coupling in dinuclear manganese(II) inverse crown structures.

    Science.gov (United States)

    Vélez, Ederley; Alberola, Antonio; Polo, Víctor

    2009-12-17

    The magnetic exchange coupling constants between two Mn(II) centers for a set of five inverse crown structures have been investigated by means of a methodology based on broken-symmetry unrestricted density functional theory. These novel and highly unstable compounds present superexchange interactions between two Mn centers, each one with S = 5/2 through anionic "guests" such as oxygen, benzene, or hydrides or through the cationic ring formed by amide ligands and alkali metals (Na, Li). Magnetic exchange couplings calculated at B3LYP/6-31G(d,p) level yield strong antiferromagnetic couplings for compounds linked via an oxygen atom or hydride and very small antiferromagnetic couplings for those linked via a benzene molecule, deprotonated in either 1,4- or 1,3- positions. Analysis of the magnetic orbitals and spin polarization maps provide an understanding of the exchange mechanism between the Mn centers. The dependence of J with respect to 10 different density functional theory potentials employed and the basis set has been analyzed.

  3. Results of an interactively coupled atmospheric chemistry - general circulation model. Comparison with observations

    Energy Technology Data Exchange (ETDEWEB)

    Hein, R.; Dameris, M.; Schnadt, C. [and others

    2000-01-01

    An interactively coupled climate-chemistry model which enables a simultaneous treatment of meteorology and atmospheric chemistry and their feedbacks is presented. This is the first model, which interactively combines a general circulation model based on primitive equations with a rather complex model of stratospheric and tropospheric chemistry, and which is computational efficient enough to allow long-term integrations with currently available computer resources. The applied model version extends from the Earth's surface up to 10 hPa with a relatively high number (39) of vertical levels. We present the results of a present-day (1990) simulation and compare it to available observations. We focus on stratospheric dynamics and chemistry relevant to describe the stratospheric ozone layer. The current model version ECHAM4.L39(DLR)/CHEM can realistically reproduce stratospheric dynamics in the Arctic vortex region, including stratospheric warming events. This constitutes a major improvement compared to formerly applied model versions. However, apparent shortcomings in Antarctic circulation and temperatures persist. The seasonal and interannual variability of the ozone layer is simulated in accordance with observations. Activation and deactivation of chlorine in the polar stratospheric vortices and their interhemispheric differences are reproduced. The consideration of the chemistry feedback on dynamics results in an improved representation of the spatial distribution of stratospheric water vapor concentrations, i.e., the simulated meriodional water vapor gradient in the stratosphere is realistic. The present model version constitutes a powerful tool to investigate, for instance, the combined direct and indirect effects of anthropogenic trace gas emissions, and the future evolution of the ozone layer. (orig.)

  4. Results of an interactively coupled atmospheric chemistry - general circulation model. Comparison with observations

    Energy Technology Data Exchange (ETDEWEB)

    Hein, R.; Dameris, M.; Schnadt, C. [and others

    2000-01-01

    An interactively coupled climate-chemistry model which enables a simultaneous treatment of meteorology and atmospheric chemistry and their feedbacks is presented. This is the first model, which interactively combines a general circulation model based on primitive equations with a rather complex model of stratospheric and tropospheric chemistry, and which is computational efficient enough to allow long-term integrations with currently available computer resources. The applied model version extends from the Earth's surface up to 10 hPa with a relatively high number (39) of vertical levels. We present the results of a present-day (1990) simulation and compare it to available observations. We focus on stratospheric dynamics and chemistry relevant to describe the stratospheric ozone layer. The current model version ECHAM4.L39(DLR)/CHEM can realistically reproduce stratospheric dynamics in the Arctic vortex region, including stratospheric warming events. This constitutes a major improvement compared to formerly applied model versions. However, apparent shortcomings in Antarctic circulation and temperatures persist. The seasonal and interannual variability of the ozone layer is simulated in accordance with observations. Activation and deactivation of chlorine in the polar stratospheric vortices and their interhemispheric differences are reproduced. The consideration of the chemistry feedback on dynamics results in an improved representation of the spatial distribution of stratospheric water vapor concentrations, i.e., the simulated meriodional water vapor gradient in the stratosphere is realistic. The present model version constitutes a powerful tool to investigate, for instance, the combined direct and indirect effects of anthropogenic trace gas emissions, and the future evolution of the ozone layer. (orig.)

  5. Competing superconducting channels in iron pnictides from the strong coupling theory with biquadratic spin interactions

    Science.gov (United States)

    Yu, Rong; Nevidomskyy, Andriy H.

    2016-12-01

    We study the symmetry and strength of the superconducting pairing in a two-orbital t-{{J}1}-{{J}2}-K model for iron pnictides using the slave boson strong coupling approach. We show that the nearest-neighbor biquadratic interaction -K{{({{S}i}\\cdot {{S}j})}2} strongly affects the superconducting pairing phase diagram by promoting the {{d}{{x2}-{{y}2}}} B 1g and the {{s}{{x2}+{{y}2}}} A 1g channels. The resulting phase diagram consists of several competing pairing channels, including the isotropic {{s}+/-} A 1g channel, an anisotropic {{d}{{x2}-{{y}2}}} B 1g channel, and two s+\\text{i}d pairing channels. We have investigated the evolution of superconducting states with electron doping, and find that the biquadratic interaction plays a crucial role in stabilizing the s+\\text{i}d and even pure d-wave pairing in the heavily electron- and hole-doped regimes. In addition, we identify a novel orbital-B 1g pairing channel, which has a s-wave form factor but a B 1g symmetry. This channel has a comparable pairing amplitude to the d-wave pairing, and may strongly influence the superconducting gap anisotropy of the system in the overdoped regime. These findings are crucial in understanding the doping evolution of the superconducting gap anisotropy observed by angle resolved photoemission spectroscopy in the iron pnictides and iron chalcogenides, including the heavily K-doped BaFe2As2 and K-doped FeSe films.

  6. DINAMO: a coupled sequence alignment editor/molecular graphics tool for interactive homology modeling of proteins.

    Science.gov (United States)

    Hansen, M; Bentz, J; Baucom, A; Gregoret, L

    1998-01-01

    Gaining functional information about a novel protein is a universal problem in biomedical research. With the explosive growth of the protein sequence and structural databases, it is becoming increasingly common for researchers to attempt to build a three-dimensional model of their protein of interest in order to gain information about its structure and interactions with other molecules. The two most reliable methods for predicting the structure of a protein are homology modeling, in which the novel sequence is modeled on the known three-dimensional structure of a related protein, and fold recognition (threading), where the sequence is scored against a library of fold models, and the highest scoring model is selected. The sequence alignment to a known structure can be ambiguous, and human intervention is often required to optimize the model. We describe an interactive model building and assessment tool in which a sequence alignment editor is dynamically coupled to a molecular graphics display. By means of a set of assessment tools, the user may optimize his or her alignment to satisfy the known heuristics of protein structure. Adjustments to the sequence alignment made by the user are reflected in the displayed model by color and other visual cues. For instance, residues are colored by hydrophobicity in both the three-dimensional model and in the sequence alignment. This aids the user in identifying undesirable buried polar residues. Several different evaluation metrics may be selected including residue conservation, residue properties, and visualization of predicted secondary structure. These characteristics may be mapped to the model both singly and in combination. DINAMO is a Java-based tool that may be run either over the web or installed locally. Its modular architecture also allows Java-literate users to add plug-ins of their own design.

  7. Ensemble Data Assimilation in a Simple Coupled Climate Model:The Role of Ocean-Atmosphere Interaction

    Institute of Scientific and Technical Information of China (English)

    LIU Zhengyu; WU Shu; ZHANG Shaoqing; LIU Yun; RONG Xinyao

    2013-01-01

    A conceptual coupled ocean-atmosphere model was used to study coupled ensemble data assimilation schemes with a focus on the role of ocean-atmosphere interaction in the assimilation.The optimal scheme was the fully coupled data assimilation scheme that employs the coupled covariance matrix and assimilates observations in both the atmosphere and ocean.The assimilation of synoptic atmospheric variability that captures the temporal fluctuation of the weather noise was found to be critical for the estimation of not only the atmospheric,but also oceanic states.The synoptic atmosphere observation was especially important in the mid-latitude system,where oceanic variability is driven by weather noise.The assimilation of synoptic atmospheric variability in the coupled model improved the atmospheric variability in the analysis and the subsequent forecasts,reducing error in the surface forcing and,in turn,in the ocean state.Atmospheric observation was able to further improve the oceanic state estimation directly through the coupled covariance between the atmosphere and ocean states.Relative to the mid-latitude system,the tropical system was influenced more by ocean-atmosphere interaction and,thus,the assimilation of oceanic observation becomes more important for the estimation of the ocean and atmosphere.

  8. Increasing the Curie temperature of Ca{sub 2}FeMoO{sub 6} double perovskite by introducing near-neighbour antiferromagnetic interactions

    Energy Technology Data Exchange (ETDEWEB)

    Rubi, D [Institut de Ciencia de Materials de Barcelona, CSIC, Campus UAB, 08193, Bellaterra (Spain); Frontera, C [Institut de Ciencia de Materials de Barcelona, CSIC, Campus UAB, 08193, Bellaterra (Spain); Roig, A [Institut de Ciencia de Materials de Barcelona, CSIC, Campus UAB, 08193, Bellaterra (Spain); Nogues, J [Institut Catala de Recerca i Estudis Avancats (ICREA), 08193, Bellaterra, Catalunya (Spain); Munoz, J S [Departament de Fisica, Universitat Autonoma de Barcelona, 08193, Bellaterra, Catalunya (Spain); Fontcuberta, J [Institut de Ciencia de Materials de Barcelona, CSIC, Campus UAB, 08193, Bellaterra (Spain)

    2005-12-21

    We report on the magnetic, magnetotransport and structural characterization of (Ca{sub 1-y}Nd{sub y}){sub 2}Fe{sub 1+x}Mo{sub 1-x}O{sub 6} (x<0.5) ferromagnetic double perovskites. It is found that the presence of an excess (x>0) of Fe ions in the metallic sublattice produces a remarkable increase, by more than 90 K, of the Curie temperature. Moessbauer spectroscopy data indicate a reinforcement of the magnetic interactions. We argue that this dramatic enhancement of the ferromagnetic order is due to the strong antiferromagnetic superexchange coupling between near-neighbour Fe-Fe occupying regular and antisite positions in the structure. Moreover, the results indicate that the excess of magnetic ions (Fe) is essential to overcome the dilution effects caused by antisite defects.

  9. On RR Couplings, Singularity Structures and all order $\\alpha'$ contact interactions to BPS String Amplitudes

    CERN Document Server

    Hatefi, Ehsan

    2015-01-01

    We evaluate five point world-sheet string theory amplitudes of one transverse scalar field, two world volume gauge fields ( and two transverse scalars, a gauge field ) in the presence of a closed string Ramond-Ramond vertex operator in its symmetric picture. We carry out all the entire S-matrix elements of five point mixed RR-scalars/gauges $C^{-1}\\phi ^{0}A^{-1} A^{0}$,$C^{-1}\\phi ^{-1}A^{0} A^{0}$, $C^{-1}A^{0}\\phi ^{-1}\\phi^{0} $ and $C^{-1}A^{-1}\\phi ^{0}\\phi^{0} $ in detail and start comparing all order $\\alpha'$ contact interactions and singularities in both transverse and world volume directions. We explore the presence of various new couplings in string theory effective actions and find out their all order $\\alpha'$ higher derivative corrections in both type IIA and IIB. Ultimately we make various remarks for the singularities, contact terms whose RR momenta are embedded in transverse directions, also $\\alpha'$ corrections to some of Myers terms are addressed.

  10. Effective protein separation by coupling hydrophobic interaction and reverse phase chromatography for top-down proteomics.

    Science.gov (United States)

    Xiu, Lichen; Valeja, Santosh G; Alpert, Andrew J; Jin, Song; Ge, Ying

    2014-08-05

    One of the challenges in proteomics is the proteome's complexity, which necessitates the fractionation of proteins prior to the mass spectrometry (MS) analysis. Despite recent advances in top-down proteomics, separation of intact proteins remains challenging. Hydrophobic interaction chromatography (HIC) appears to be a promising method that provides high-resolution separation of intact proteins, but unfortunately the salts conventionally used for HIC are incompatible with MS. In this study, we have identified ammonium tartrate as a MS-compatible salt for HIC with comparable separation performance as the conventionally used ammonium sulfate. Furthermore, we found that the selectivity obtained with ammonium tartrate in the HIC mobile phases is orthogonal to that of reverse phase chromatography (RPC). By coupling HIC and RPC as a novel two-dimensional chromatographic method, we have achieved effective high-resolution intact protein separation as demonstrated with standard protein mixtures and a complex cell lysate. Subsequently, the separated intact proteins were identified by high-resolution top-down MS. For the first time, these results have shown the high potential of HIC as a high-resolution protein separation method for top-down proteomics.

  11. Noisy contact interactions of multi-layer mechanical structures coupled by boundary conditions

    Science.gov (United States)

    Awrejcewicz, J.; Krysko, V. A., Jr.; Yakovleva, T. V.; Krysko, V. A.

    2016-05-01

    In this work mathematical models of temporal part of chaos at chosen spatial locations of a plate locally reinforced by ribs taking into account an interplay of their interactions are derived and studied numerically for the most relevant dynamical parameters. In addition, an influence of the additive external noise on chaotic vibrations of multi-layer beam-plate structures coupled only by boundary conditions is investigated. We illustrate and discuss novel nonlinear phenomena of the temporal regular and chaotic contact/no-contact dynamics with the help of Morlet wavelets and Fourier analysis. We show how the additive white noise cancels deterministic chaos close to the boundary of chaotic region in the space of parameters, and we present windows of on/off switching of the frequencies during the contact dynamics between structural members. In order to solve the mentioned design type nonlinear problem we apply methods of qualitative theory of differential equations, the Bubnov-Galerkin method in higher approximations, the Runge-Kutta methods of 4th, 6th and 8th order, as well as the computation and analysis of the largest Lyapunov exponent (Benettin's and Wolf's algorithms are used). The agreement of outcomes of all applied qualitatively different numerical approaches validate our simulation results. In particular, we have illustrated that the Fourier analysis of the studied mechanical structures may yield erroneous results, and hence the wavelet-based analysis is used to investigate chaotic dynamics in the system parameter space.

  12. Generalized Mulliken-Hush analysis of electronic coupling interactions in compressed pi-stacked porphyrin-bridge-quinone systems.

    Science.gov (United States)

    Zheng, Jieru; Kang, Youn K; Therien, Michael J; Beratan, David N

    2005-08-17

    Donor-acceptor interactions were investigated in a series of unusually rigid, cofacially compressed pi-stacked porphyrin-bridge-quinone systems. The two-state generalized Mulliken-Hush (GMH) approach was used to compute the coupling matrix elements. The theoretical coupling values evaluated with the GMH method were obtained from configuration interaction calculations using the INDO/S method. The results of this analysis are consistent with the comparatively soft distance dependences observed for both the charge separation and charge recombination reactions. Theoretical studies of model structures indicate that the phenyl units dominate the mediation of the donor-acceptor coupling and that the relatively weak exponential decay of rate with distance arises from the compression of this pi-electron stack.

  13. Identification of coupling DNA motif pairs on long-range chromatin interactions in human K562 cells

    KAUST Repository

    Wong, Ka-Chun

    2015-09-27

    Motivation: The protein-DNA interactions between transcription factors (TFs) and transcription factor binding sites (TFBSs, also known as DNA motifs) are critical activities in gene transcription. The identification of the DNA motifs is a vital task for downstream analysis. Unfortunately, the long-range coupling information between different DNA motifs is still lacking. To fill the void, as the first-of-its-kind study, we have identified the coupling DNA motif pairs on long-range chromatin interactions in human. Results: The coupling DNA motif pairs exhibit substantially higher DNase accessibility than the background sequences. Half of the DNA motifs involved are matched to the existing motif databases, although nearly all of them are enriched with at least one gene ontology term. Their motif instances are also found statistically enriched on the promoter and enhancer regions. Especially, we introduce a novel measurement called motif pairing multiplicity which is defined as the number of motifs that are paired with a given motif on chromatin interactions. Interestingly, we observe that motif pairing multiplicity is linked to several characteristics such as regulatory region type, motif sequence degeneracy, DNase accessibility and pairing genomic distance. Taken into account together, we believe the coupling DNA motif pairs identified in this study can shed lights on the gene transcription mechanism under long-range chromatin interactions. © The Author 2015. Published by Oxford University Press.

  14. Interaction between G Protein-Coupled Receptor 143 and Tyrosinase: Implications for Understanding Ocular Albinism Type 1.

    Science.gov (United States)

    De Filippo, Elisabetta; Schiedel, Anke C; Manga, Prashiela

    2017-02-01

    Developmental eye defects in X-linked ocular albinism type 1 are caused by G-protein coupled receptor 143 (GPR143) mutations. Mutations result in dysfunctional melanosome biogenesis and macromelanosome formation in pigment cells, including melanocytes and retinal pigment epithelium. GPR143, primarily expressed in pigment cells, localizes exclusively to endolysosomal and melanosomal membranes unlike most G protein-coupled receptors, which localize to the plasma membrane. There is some debate regarding GPR143 function and elucidating the role of this receptor may be instrumental for understanding neurogenesis during eye development and for devising therapies for ocular albinism type I. Many G protein-coupled receptors require association with other proteins to function. These G protein-coupled receptor-interacting proteins also facilitate fine-tuning of receptor activity and tissue specificity. We therefore investigated potential GPR143 interaction partners, with a focus on the melanogenic enzyme tyrosinase. GPR143 coimmunoprecipitated with tyrosinase, while confocal microscopy demonstrated colocalization of the proteins. Furthermore, tyrosinase localized to the plasma membrane when coexpressed with a GPR143 trafficking mutant. The physical interaction between the proteins was confirmed using fluorescence resonance energy transfer. This interaction may be required in order for GPR143 to function as a monitor of melanosome maturation. Identifying tyrosinase as a potential GPR143 binding protein opens new avenues for investigating the mechanisms that regulate pigmentation and neurogenesis. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

  15. Analytic formulation of derivative coupling vectors for complete active space configuration interaction wavefunctions with floating occupation molecular orbitals

    Science.gov (United States)

    Hohenstein, Edward G.

    2016-11-01

    The floating occupation molecular orbital complete active space configuration interaction (FOMO-CASCI) method is quite promising for the study of nonadiabatic processes. Use of this method directly in nonadiabatic dynamics simulations has been limited by the lack of available first-order nonadiabatic coupling vectors. Here, an analytic formulation of these derivative coupling vectors is presented for FOMO-CASCI wavefunctions using a simple Lagrangian-based approach. The derivative coupling vectors are applied in the optimization of minimum energy conical intersections of an aqueously solvated model compound for the chromophore of the green fluorescent protein (including 100 water molecules). The computational cost of the FOMO-CASCI derivative coupling vector is shown to scale quadratically, O ( N 2 ) , with system size and is applied to systems with up to 1000 atoms.

  16. Uniform Descriptions of Electron-IO Phonon Interaction in Structures of Multi-layer Coupling Low-dimensional Systems

    Institute of Scientific and Technical Information of China (English)

    ZHANGLi; SHIJun-Jie

    2005-01-01

    By using the transfer matrix method, within the framework of the dielectric continuum approximation,uniform forms for the interface optical (I0) phonon modes as well as the corresponding electron-IO phonon interaction Hamiltonians in n-layer coupling low-dimensional systems (including the coupling quantum well (CQW), coupling quantum-well wire (CQWW), and coupling quantum dot (CQD)) have been presented. Numerical calculations on the three-layer asymmetrical AIGaAs/GaAs systems are performed, and the analogous characteristics for limited frequencies of 10 phonon in the three types of systems (CQW, CQWW, and CQD) when the wave-vector and the quantum number approach zero or infinity are analyzed and specified.

  17. Uniform Descriptions of Electron-IO Phonon Interaction in Structures of Multi-layer Coupling Low-dimensional Systems

    Institute of Scientific and Technical Information of China (English)

    ZHANG Li; SHI Jun-Jie

    2005-01-01

    By using the transfer matrix method, within the framework of the dielectric continuum approximation,uniform forms for the interface optical (IO) phonon modes as well as the corresponding electron-IO phonon interaction Hamiltonians in n-layer coupling low-dimensional systems (including the coupling quantum well (CQ W), coupling quantum-well wire (CQWW), and coupling quantum dot (CQD)) have been presented. Numerical calculations on the three-layer asymmetrical AIGaAs/GaAs systems are performed, and the analogous characteristics for limited frequencies of IO phonon in the three types of systems (CQW, CQWW, and CQD) when the wave-vector and the quantum number approach zero or infinity are analyzed and specified.

  18. Climate-aerosol interactions over the Mediterranean region: a regional coupled modelling approach

    Science.gov (United States)

    Nabat, Pierre; Somot, Samuel; Mallet, Marc

    2015-04-01

    The Mediterranean basin is affected by numerous and various aerosols which have a high spatio-temporal variability. These aerosols directly interact with solar and thermal radiation, and indirectly with clouds and atmospheric dynamics. Therefore they can have an important impact on the regional climate. This work, located at the boundary between the ChArMEx and HyMeX programs, considers a coupled regional modeling approach in order to address the questions of the aerosol-radiation-cloud interactions with regards to the climate variability over the Mediterranean. In order to improve the characterization of Mediterranean aerosols, a new interannual monthly climatology of aerosol optical depth has been developed from a blended product based on both satellite-derived and model-simulated datasets. This dataset, available for every regional climate model over the Mediterranean for the 1979-2012 period, has been built to obtain the best possible estimate of the atmospheric aerosol content for the five species at stake (sulfate, black carbon, organic matter, desert dust and sea salt particles). Simulation ensembles, which have been carried out over the 2003-2009 period with and without aerosols, show a major impact on the regional climate. The seasonal cycle and the spatial patterns of the Mediterranean climate are significantly modified, as well as some specific situations such as the heat wave in July 2006 strengthened by the presence of desert dust particles. The essential role of the Mediterranean sea surface temperature is highlighted, and enables to understand the induced changes on air-sea fluxes and the consequences on regional climate. Oceanic convection is also strengthened by aerosols. In addition, the decrease in anthropogenic aerosols observed for more than thirty years is shown to significantly contribute to the observed Euro-Mediterranean climatic trends in terms of surface radiation and temperature. Besides, an interactive aerosol scheme has been developed

  19. Comparison of one-way and two-way coupled analyses of electromagnetic machines considering magnetic and structural interactions

    Science.gov (United States)

    Nam, Jahyun; Kang, Chiho; Song, Jeongyong; Jang, Gunhee

    2017-05-01

    We compared one-way and two-way coupled analyses of electromagnetic machines considering magnetic and structural interaction to identify the frequency components of magnetic excitation and to determine the structural coupling effects predicted only by the two-way coupled analysis. We developed finite element models of a C-core switch and an electric motor. In the two-way coupled analysis method, the magnetic force calculated by using the Maxwell stress tensor was applied to the structural finite element model to determine the elastic deformation, and the magnetic finite element model was rearranged by means of the moving mesh method to represent the structural elastic deformation. We showed that two-way coupled analysis predicted the excitation frequency of 80 Hz (4 times the input current frequency) of magnetic force in the C-core switch and the excitation frequency of 667 Hz (the first natural frequency of the rotor, corresponding to the translational mode) of magnetic force in the electric motor undergoing rotor eccentricity. We showed that two-way coupled analysis predicted magnetic excitation and its corresponding structural response more accurately than the one-way coupled analysis, especially for electromagnetic machines in which the structural deformation affects magnetic field through variation of the air gap length.

  20. Orientation-modulated exchange coupling in La0.67Ca0.33MnO3/CaMnO3 bilayer films

    Science.gov (United States)

    Wang, F.; Bai, Y.; Liu, W.; Zhang, H. R.; Li, S. K.; Dai, Z. M.; Ma, S.; Zhao, X. G.; Wang, S. C.; Wang, Z. J.; Zhang, Z. D.

    2017-04-01

    Epitaxial La0.67Ca0.33MnO3/CaMnO3 (LCMO/CMO) bilayers and the reference single layers were deposited by pulsed laser deposition on (001)- and (110)-oriented SrTiO3 (STO) substrates, allowing us to perform a detailed study of the dependence of exchange coupling on crystal orientations. It is found that the exchange bias (coercive) field of the (110)-oriented LCMO/CMO bilayer are decreased (increased) compared to that of (001)-oriented bilayer, due to the enhanced (weakened) Mn3+-Mn4+ ferromagnetic double-exchange interaction of LCMO layer. It is clear that the spin flop coupling that leads to the enhanced coercivity and the spin glass state that results in the exchange bias effect can coexist and are determined by the competition between Mn3+-Mn4+ ferromagnetic double-exchange and Mn4+-Mn4+ antiferromagnetic super-exchange interactions at the interface. We propose that strong Mn3+-Mn4+ ferromagnetic double-exchange interaction facilitates the existence of spin flop coupling, not the formation of spin glass state at the LCMO/CMO interface.

  1. A numerical coupled model for studying air-sea-wave interaction

    Science.gov (United States)

    Ly, Le Ngoc

    1995-10-01

    A numerical coupled model of air-sea-wave interaction is developed to study the influence of ocean wind waves on dynamical, turbulent structures of the air-sea system and their impact on coupled modeling. The model equations for both atmospheric and oceanic boundary layers include equations for: (1) momentum, (2) a k-ɛ turbulence scheme, and (3) stratification in the atmospheric and oceanic boundary layers. The model equations are written in the same form for both the atmosphere and ocean. In this model, wind waves are considered as another source of turbulent energy in the upper layer of the ocean besides turbulent energy from shear production. The dissipation ɛ at the ocean surface is written as a linear combination of terms representing dissipation from mean flow and breaking waves. The ɛ from breaking waves is estimated by using similarity theory and observed data. It is written in terms of wave parameters such as wave phase speed, height, and length, which are then expressed in terms of friction velocity. Numerical experiments are designed for various geostrophic winds, wave heights, and wave ages, to study the influence of waves on the air-sea system. The numerical simulations show that the vertical profiles of ɛ in the atmospheric and oceanic boundary layers (AOBL) are similar. The magnitudes of ɛ in the oceanic surface zone are much larger than those in the atmospheric surface zone and in the interior of the oceanic boundary layer (OBL). The model predicts ɛ distributions with a surface zone of large dissipation which was not expected from similarity scaling based on observed wind stress and surface buoyancy. The simulations also show that waves have a strong influence on eddy viscosity coefficients (EVC) and momentum fluxes, and have a dominated effect on the component of fluxes in the direction of the wind. The depth of large changes in flux magnitudes and EVC in the ocean can reach to 10-20 m. The simulations of surface drift currents confirm that

  2. Non—conservation of energy arising from atomic dipole interactions and its effects on light field and coupled atoms

    Institute of Scientific and Technical Information of China (English)

    DongChuan-Hua

    2003-01-01

    The interactions between coulpled atoms and a single mode of a quantized electromagnetic field, which involve the terms originating from the dipole interactions, are discussed. In the usual Jaynes-Cummings model for coupled atoms, the terms of non-conservation of energy originating from dipole interactions are neglected, however, we take them into consideration in this paper. The effects of these terms on the evolutions of quantum statistic properties and squeezing of the field, the squeezing of atomic dipole moments and atomic population inversion are investigated. It has been shown that the coupling between atoms modulates these evolutions of fields and atoms. The terms of non-conservation of energy affect these evolutions of field and atoms slightly. They also have effects on the squeezing of the field, the squeezing of atomic dipole and atomic population inversions. The initial states of atoms also affect these properties.

  3. Coupling of $t\\bar t$ and $\\gamma\\gamma$ with a strongly interacting Electroweak Symmetry Breaking Sector

    CERN Document Server

    Delgado, Rafael L

    2016-01-01

    We report the coupling of an external $\\gamma\\gamma$ or $t\\bar t$ state to a strongly interacting EWSBS satisfying unitarity. We exploit perturbation theory for those coupling of the external state, whereas the EWSBS is taken as strongly interacting. We use a modified version of the IAM unitarization procedure to model such a strongly interacting regime. The matrix elements $V_LV_L\\to V_LV_L$, $V_LV_L\\leftrightarrow hh$, $hh\\to hh$, $V_LV_L\\leftrightarrow\\{\\gamma\\gamma,t\\bar t\\}$, and $hh\\leftrightarrow\\{\\gamma\\gamma,t\\bar t\\}$ are all computed to NLO in perturbation theory with the Nonlinear Effective Field Theory of the EWSBS, within the Equivalence Theorem. This allows us to describe resonances of the electroweak sector that may be found at the LHC and their effect on other channels such as $\\gamma\\gamma$ or $t\\bar t$ where they may be discovered.

  4. Plasma diagnostics and plasma-surface interactions in inductively coupled plasmas

    Science.gov (United States)

    Titus, Monica Joy

    The semiconductor industry's continued trend of manufacturing device features on the nanometer scale requires increased plasma processing control and improved understanding of plasma characteristics and plasma-surface interactions. This dissertation presents a series of experimental results for focus studies conducted in an inductively coupled plasma (ICP) system. First novel "on-wafer" diagnostic tools are characterized and related to plasma characteristics. Second, plasma-polymer interactions are characterized as a function of plasma species and processing parameters. Complementary simulations accompany each focus study to supplement experimental findings. Wafer heating mechanisms in inductively coupled molecular gas plasmas are explored with PlasmaTemp(TM), a novel "on-wafer" diagnostic tool. Experimental wafer measurements are obtained with the PlasmaTemp(TM) wafer processed in argon (Ar) and argon-oxygen (Ar/O2) mixed plasmas. Wafer heating mechanisms were determined by combining the experimental measurements with a 3-dimensional heat transfer model of the wafer. Comparisons between pure Ar and Ar/O2 plasmas demonstrate that two additional wafer heating mechanisms can be important in molecular gas plasmas compared to atomic gas discharges. Thermal heat conduction from the neutral gas and O-atom recombination on wafer surface can contribute as much as 60% to wafer heating under conditions of low-energy ion bombardment in molecular plasmas. Measurements of a second novel "on-wafer" diagnostic sensor, the PlasmaVolt(TM), were tested and validated in the ICP system for Ar plasmas varying in power and pressure. Sensor measurements were interpreted with a numerical sheath simulation and comparison to scaling laws derived from the inhomogeneous sheath model. The study demonstrates sensor measurements are proportional to the RF-current through the sheath and the scaling is a function of sheath impedance. PlasmaVolt(TM) sensor measurements are proportional to the

  5. Magnetic interactions in La{sub 0.7}Sr{sub 0.3}Mn{sub 1−x}Me{sub x}O{sub 3} (Me=Ga, Fe, Cr) manganites

    Energy Technology Data Exchange (ETDEWEB)

    Troyanchuk, I.O., E-mail: troyan@physics.by [Scientific-Practical Materials Research Centre of NAS of Belarus, P. Brovki str. 19, 220072 Minsk (Belarus); Bushinsky, M.V.; Karpinsky, D.V.; Tereshko, N.V. [Scientific-Practical Materials Research Centre of NAS of Belarus, P. Brovki str. 19, 220072 Minsk (Belarus); Dobryansky, V.M. [Belarussian State Agrarian Technical University, Nezavisimosti av. 99, 220023 Minsk (Belarus); Többens, D.M. [Helmholt-Zentrum Berlin, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Sikolenko, V. [Helmholt-Zentrum Berlin, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Joint Institute for Nuclear Research, Joliot-Curie 6, 141980 Dubna (Russian Federation); Efimov, V. [Joint Institute for Nuclear Research, Joliot-Curie 6, 141980 Dubna (Russian Federation)

    2015-11-15

    Magnetic properties and crystal structure of La{sub 0.7}Sr{sub 0.3}Mn{sub 1−x}Me{sub x}O{sub 3} (Me=Ga, Fe, Cr; x≤0.3) have been studied by neutron powder diffraction and magnetization measurements. It is shown that substitution of manganese ions by chromium or gallium ions (x=0.3) leads to phase separation into antiferromagnetic and ferromagnetic phases whereas replacement by Fe ions stabilizes spin glass state (x=0.3). Ferromagnetic interactions in Cr-substituted compounds are much more pronounced than in Fe- and Ga-doped ones. Magnetic properties are discussed in the model assuming a dominance of superexchange interactions. It is considered that ferromagnetism in the Cr-substituted compositions is associated with nearly equal contributions from positive and negative components of the superexchange interaction between Mn{sup 3+} and Cr{sup 3+} ions as well as to mixed valence of chromium ions. The spin glass state observed for the Fe-doped sample (x=0.3) is associated with strong antiferromagnetic superexchange between Fe{sup 3+}–O–Fe{sup 3+} and Fe{sup 3+}–O–(Mn{sup 3+}, Mn{sup 4+}). - Highlights: • Magnetic structure of the compounds has been clarified by NPD. • Magnetic properties of the compounds has been explained using superexchange scenario. • Mn–O–Fe and Fe–O–Fe superexchange interactions are strongly antiferromagnetic.

  6. Critical Coupling in (1+1)-Dimensional Light-Front $\\phi^{4}$ Theory; 2, effects of non-diagonal interactions

    CERN Document Server

    Oshima, K

    2001-01-01

    Spontaneous symmetry breaking in (1+1)-dimensional $\\phi^{4}$ theory is studied with discretized light-front quantization. Taking effects of non-diagonal interactions into account, the first few terms of the commutation relations $[a_{0},a_{n}]$ are recalculated in the $\\hbar$ expansion. Our result of the critical coupling is still consistent with the equal-time result $22\\mu^{2}/\\hbar \\le \\lambda_{\\rm{cr}} \\le 55.5\\mu^{2}/\\hbar$. We also have examined effects of regarding the ratio of the bare coupling constant to a renormalized mass as an independent parameter in the $\\hbar$ expansion.

  7. Strong spin-lattice coupling in CrSiTe3

    Directory of Open Access Journals (Sweden)

    L. D. Casto

    2015-04-01

    Full Text Available CrSiTe3 has attracted recent interest as a candidate single-layer ferromagnetic semiconductor, but relatively little is known about the bulk properties of this material. Here, we report single-crystal X-ray diffraction, magnetic properties, thermal conductivity, vibrational, and optical spectroscopies and compare our findings with complementary electronic structure and lattice dynamics principles calculations. The high temperature paramagnetic phase is characterized by strong spin-lattice interactions that give rise to glassy behavior, negative thermal expansion, and an optical response that reveals that CrSiTe3 is an indirect gap semiconductor with indirect and direct band gaps at 0.4 and 1.2 eV, respectively. Measurements of the phonons across the 33 K ferromagnetic transition provide additional evidence for strong coupling between the magnetic and lattice degrees of freedom. The Si-Te stretching and Te displacement modes are sensitive to the magnetic ordering transition, a finding that we discuss in terms of the superexchange mechanism. Spin-lattice coupling constants are also extracted.

  8. First-principles study of the magnetic stability and the exchange couplings of LaMn2O5

    Science.gov (United States)

    El Hallani, F.; Naji, S.; Ez-Zahraouy, H.; Benyoussef, A.

    2013-10-01

    Using first principles calculations, the electronic and magnetic properties of the multiferroic LaMn2O5 have been studied. In particular, we have studied the magnetic stability of this material not only in ab-plane but also along c direction. Beside this, the exchange couplings between manganese ions have been calculated using Heisenberg model by including only the nearest neighbour interactions. It is shown that the stable magnetic order of LaMn2O5 is of antiferromagnetic type, which is in good agreement with the experiments. In order to show the effect of the temperature on the properties of our compound we have carried out this study using two crystal structures: the higher symmetric one (space group Pbam) that reported experimentally at T(98.8 k) and the lower symmetric one (space group Pmc21) that obtained from the relaxation, in our calculations, at T = 0 K starting from the stable magnetic order.This structure deformation at T = 0 can be related to the exchange coupling striction. The density of states show an insulating behavior in the antiferromagnetic state of LaMn2O5 at Fermi level and there is a small band gap, confirming the experimental fact that LaMn2O5 is an insulator. We have found that the nature of the mechanism of these magnetic exchange coupling is an indirect super-exchange.

  9. Spontaneous emission spectra and quantum light-matter interactions from a strongly coupled quantum dot metal-nanoparticle system

    DEFF Research Database (Denmark)

    Van Vlack, C.; Kristensen, Philip Trøst; Hughes, S.

    2012-01-01

    We investigate the quantum optical properties of a quantum-dot dipole emitter coupled to a finite-size metal nanoparticle using a photon Green-function technique that rigorously quantizes the electromagnetic fields. We first obtain pronounced Purcell factors and photonic Lamb shifts for both a 7......- and 20-nm-radius metal nanoparticle, without adopting a dipole approximation. We then consider a quantum-dot photon emitter positioned sufficiently near the metal nanoparticle so that the strong-coupling regime is possible. Accounting for nondipole interactions, quenching, and photon transport from...... the dot to the detector, we demonstrate that the strong-coupling regime should be observable in the far-field spontaneous emission spectrum, even at room temperature. The vacuum-induced emission spectra show that the usual vacuum Rabi doublet becomes a rich spectral triplet or quartet with two of the four...

  10. Exact results for Casimir interactions between dielectric bodies: The weak-coupling or van der Waals Limit

    CERN Document Server

    Milton, Kimball A; Wagner, Jef

    2008-01-01

    In earlier papers we have applied multiple scattering techniques to calculate Casimir forces due to scalar fields between different bodies described by delta function potentials. When the coupling to the potentials became weak, closed-form results were obtained. We simplify this weak-coupling technique and apply it to the case of tenuous dielectric bodies, in which case the method involves the summation of van der Waals (Casimir-Polder) interactions. Once again exact results for finite bodies can be obtained. We present closed formulas describing the interaction between spheres and between cylinders, and between an infinite plate and a retangular slab of finite size. For such a slab, we consider the torque acting on it, and find non-trivial equilibrium points can occur.

  11. DFT study of the conductance of molecular wire: The effect of coupling geometry and intermolecular interaction on the transport properties

    Institute of Scientific and Technical Information of China (English)

    QI; Yuanhua; GUAN; Daren; LIU; Chengbu

    2006-01-01

    The density functional theory (DFT) combining with the non-equilibrium Green functions (NEGF) method is applied to the study of the electronic transport properties for a Di-thiol-benzene (DTB) molecule coupled to two Au(111) surfaces. The dependence of the transport properties on the bias, the coupling geometry of the molecule-electrode interface, and the intermolecular interaction are examined in detail. The results show that the existence of the hydrogen atom at the end of the DTB molecule would significantly decrease the transmission coefficients, and then the differential conductance (dI/dV). By changing the position of the DTB molecule located between two electrodes a maximum value of calculated current is observed. It is also found that the intermolecular interaction will strongly influence the transport properties of the system studied.

  12. Relaxation-allowed nuclear magnetic resonance transitions by interference between the quadrupolar coupling and the paramagnetic interaction.

    Science.gov (United States)

    Ling, Wen; Jerschow, Alexej

    2007-02-14

    Of the various ways in which nuclear spin systems can relax to their ground states, the processes involving an interference between different relaxation mechanisms, such as dipole-dipole coupling and chemical shift anisotropy, have become of great interest lately. The authors show here that the interference between the quadrupolar coupling and the paramagnetic interaction (cross-correlated relaxation) gives rise to nuclear spin transitions that would remain forbidden otherwise. In addition, frequency shifts arise. These would be reminiscent of residual anisotropic interactions when there are none. While interesting from a fundamental point of view, these processes may become relevant in magnetic resonance imaging experiments which involve quadrupolar spins, such as (23)Na, in the presence of contrast agents. Geometrical constraints in paramagnetic molecule structures may likewise be derived from these interference effects.

  13. Constraints on short-range spin-dependent interactions from scalar spin-spin coupling in deuterated molecular hydrogen

    CERN Document Server

    Ledbetter, Micah; Jackson-Kimball, Derek

    2012-01-01

    A comparison between existing measurements and calculations of the scalar spin-spin interaction (J-coupling) in deuterated molecular hydrogen (HD) yields stringent constraints on anomalous spin-dependent potentials between nucleons at the atomic scale (${\\rm \\sim 1 \\AA}$). The dimensionless coupling constant $g_P^pg_P^{N}/4\\pi$ associated with exchange of pseudoscalar (axion-like) bosons between nucleons is constrained to be less than $5\\times 10^{-7}$ for boson masses in the range of $5 {\\rm keV}$. This represents improvement by a factor of about 100 over constraints placed by measurements of the dipole-dipole interaction in molecular ${\\rm H_2}$. The dimensionless coupling constant $g_A^pg_A^N/4 \\pi$ associated with exchange of a heretofore undiscovered axial-vector boson between nucleons is constrained to be $g_A^pg_A^N/4 \\pi < 2 \\times 10^{-19}$ for bosons of mass $\\lesssim 1000 {\\rm eV}$, improving constraints at this distance scale by a factor of 100 for proton-proton couplings and more than 8 orders...

  14. Grain Size Dependence of Exchange-Coupling Interaction between Magnetically Soft-Hard Grains and Effective Anisotropy

    Institute of Scientific and Technical Information of China (English)

    韩广兵; 高汝伟; 傅爽; 刘汉强; 冯维存; 陈伟

    2004-01-01

    Taking α-Fe and Nd2Fe14B grains as example, the grain size dependence of the exchange-coupling interaction and effective anisotropy and also their variations depending on the ratio of magnetically soft and hard grain sizes, Ds∶ Dh, were investigated. When grain size D>Lex, the grain's anisotropy is the statistic value of the coupled and uncoupled part. The anisotropy constant of uncoupled part is the common value K1 and that of coupled part varies with the distance to the grain surface. The effective anisotropy constant between magnetically soft and hard grains, Keff, can be expressed as the sum of the products of volume fractions for soft and hard grains, respectively, and the corresponding mean anisotropy constants. The calculation results indicate that the exchange-coupling interaction is enhanced with the reduction of grain size, and the effective anisotropy decreases with reducing grain size and increasing ratio of Ds∶ Dh. In order to get high effective anisotropy constant, Keff, in composite magnetically soft-hard grains, the hard grain size should be larger than 30 nm and the soft grain size should be about 10 nm.

  15. Single-photon frequency conversion via interaction with a three-level atom coupled to a microdisk

    Science.gov (United States)

    Akbari, M.; Andrianov, S. N.; Kalachev, A. A.

    2017-02-01

    The frequency conversion of light has proved to be an important instrument for communication, spectroscopy, imaging and information processing. We theoretically study the frequency conversion of a single photon via its interaction with a Λ -type atom coupled to a microdisk. We show that the frequency conversion efficiency approaches unity even in the case of an interaction between clockwise and counterclockwise modes in the microdisk due to surface imperfections. By the use of the Schrieffer-Wolff transformation, we get an effective Hamiltonian that allows us to investigate the dynamics of the system and obtain time and probability of frequency conversion in different conditions.

  16. The entanglement of two dipole-dipole coupled atoms interacting with a thermal field via a two-photon process

    Institute of Scientific and Technical Information of China (English)

    Liao Xiang-Ping; Fang Mao-Fa; Cai Jian-Wu; Zheng Xiao-Juan

    2008-01-01

    This paper studies entanglement between two dipole-dipole coupled atoms interacting with a thermal field via a two-photon process. It shows that the entanglement is dependent on the mean photon number of the thermal field and the dipole-dipole interaction. The results also show that the atom-atom entanglement through the two-photon process is larger than that through the one-photon process and a remarkable amount of entanglement between the atoms still remains at certain times even for a very highly noisy thermal field.

  17. Triple and quartic gauge boson couplings : Electroweak Bosons interactions at the LHC

    CERN Document Server

    Kupco, Alexander; The ATLAS collaboration

    2017-01-01

    The status of multi-bosons physics at LHC is reviewed. Recent results on cross-sections and anomalous couplings measurements are discussed for diboson, tribosons and vector boson scattering processes.

  18. A Methodology for the Development of a Coupling Model for High Energy Laser Interactions With Metals

    Science.gov (United States)

    2006-11-01

    is greater than .95, the problem is linear (material properties constant with temperature), and the coupling function is constant in time , then... in time may not be assumed. It can be argued that (16) still applies despite the nonlinearity. As a material approaches phase change, the...Lasers are of interest because they create nonlinear effects in materials, i.e. phase changes. In addition, a coupling function that is constant

  19. Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory.

    Science.gov (United States)

    Zhang, Xing; Herbert, John M

    2014-08-14

    We revisit the calculation of analytic derivative couplings for configuration interaction singles (CIS), and derive and implement these couplings for its spin-flip variant for the first time. Our algorithm is closely related to the CIS analytic energy gradient algorithm and should be straightforward to implement in any quantum chemistry code that has CIS analytic energy gradients. The additional cost of evaluating the derivative couplings is small in comparison to the cost of evaluating the gradients for the two electronic states in question. Incorporation of an exchange-correlation term provides an ad hoc extension of this formalism to time-dependent density functional theory within the Tamm-Dancoff approximation, without the need to invoke quadratic response theory or evaluate third derivatives of the exchange-correlation functional. Application to several different conical intersections in ethylene demonstrates that minimum-energy crossing points along conical seams can be located at substantially reduced cost when analytic derivative couplings are employed, as compared to use of a branching-plane updating algorithm that does not require these couplings. Application to H3 near its D(3h) geometry demonstrates that correct topology is obtained in the vicinity of a conical intersection involving a degenerate ground state.

  20. Magnon-phonon coupling and implications for charge-density wave states and superconductivity in cuprates

    Science.gov (United States)

    Struzhkin, Viktor V.; Chen, Xiao-Jia

    2016-10-01

    The mechanism of high-temperature superconductivity of copper oxides (cuprates) remains unsolved puzzle in condensed matter physics. The cuprates represent extremely complicated system, showing fascinating variety of quantum phenomena and rich phase diagram as a function of doping. In the suggested "superconducting glue" mechanisms, phonon and spin excitations are invoked most frequently, and it appears that only spin excitations cover the energy scale required to justify very high transition temperature Tc ˜ 165 K (as in mercury-based triple layer cuprates compressed to 30 GPa). It appears that pressure is quite important variable helping to boost the Tc record by almost 30°. Pressure may be also considered as a clean tuning parameter, helping to understand the underlying balance of various energy scales and ordered states in cuprates. In this paper, a review of mostly our work on cuprates under pressure will be given, with the emphasis on the interactions between phonon and spin excitations. It appears that there is a strong coupling between superexchange interaction and stretching in-plane oxygen vibrations, which may give rise to a variety of complex phenomena, including the charge-density wave state intertwined with superconductivity and attracting a lot of interest recently.

  1. Spectroscopic demonstration of a large antisymmetric exchange contribution to the spin-frustrated ground state of a D3 symmetric hydroxy-bridged trinuclear Cu(II) complex: ground-to-excited state superexchange pathways.

    Science.gov (United States)

    Yoon, Jungjoo; Mirica, Liviu M; Stack, T Daniel P; Solomon, Edward I

    2004-10-06

    The magnetic and electronic properties of a spin-frustrated ground state of an antiferromagnetically coupled 3-fold symmetric trinuclear copper complex (TrisOH) is investigated using a combination of variable-temperature variable-field magnetic circular dichroism (VTVH MCD) and powder/single-crystal EPR. Direct evidence for a low-lying excited S = (1)/(2) state from the zero-field split ground (2)E state is provided by the nonlinear dependence of the MCD intensity on 1/T and the nesting of the VTVH MCD isotherms. A consistent zero-field splitting (Delta) value of approximately 65 cm(-1) is obtained from both approaches. In addition, the strong angular dependence of the single-crystal EPR spectrum, with effective g-values from 2.32 down to an unprecedented 1.2, requires in-state spin-orbit coupling of the (2)E state via antisymmetric exchange. The observable EPR intensities also require lowering of the symmetry of the trimer structure, likely reflecting a magnetic Jahn-Teller effect. Thus, the Delta of the ground (2)E state is shown to be governed by the competing effects of antisymmetric exchange (G = 36.0 +/- 0.8 cm(-1)) and symmetry lowering (delta = 17.5 +/- 5.0 cm(-1)). G and delta have opposite effects on the spin distribution over the three metal sites where the former tends to delocalize and the latter tends to localize the spin of the S(tot) = (1)/(2) ground state on one metal center. The combined effects lead to partial delocalization, reflected by the observed EPR parallel hyperfine splitting of 74 x 10(-4) cm(-1). The origin of the large G value derives from the efficient superexchange pathway available between the ground d(x2-y2) and excited d(xy) orbitals of adjacent Cu sites, via strong sigma-type bonds with the in-plane p-orbitals of the bridging hydroxy ligands. This study provides significant insight into the orbital origin of the spin Hamiltonian parameters of a spin-frustrated ground state of a trigonal copper cluster.

  2. Mode stability analysis in the beam-wave interaction process for a three-gap Hughes-type coupled cavity chain

    Institute of Scientific and Technical Information of China (English)

    Luo Ji-Run; Cui Jian; Zhu Min; Guo Wei

    2013-01-01

    Based on space-charge wave theory,the formulae of the beam-wave coupling coefficient and the beam-loaded conductance are given for the beam-wave interaction in an N-gap Hughes-type coupled cavity chain.The ratio of the nonbeam-loaded quality factor of the coupled cavity chain to the beam quality factor is used to determine the stability of the beam-wave interaction.As an example,the stabilities of the beam-wave interaction in a three-gap Hughes-type coupled cavity chain are discussed with the formulae and the CST code for the operations of the 2π,π,and π/2 modes,respectively.The results show that stable operation of the 2π,π,and π/2 modes may all be realized in an extended-interaction klystron with the three-gap Hughes-type coupled cavity chain.

  3. Constraining axion coupling constants from measuring the Casimir interaction between polarized test bodies

    CERN Document Server

    Bezerra, V B; Mostepanenko, V M; Romero, C

    2016-01-01

    We propose an experiment for measuring the effective Casimir pressure between two parallel SiC plates with aligned nuclear spins. The prospective constraints on an axion-neutron coupling constant for both hadronic and GUT axions are calculated using the process of one-axion exchange. For this purpose, a general expression for the additional pressure arising between two polarized plates due to the exchange of one axion between their constituent fermions is derived. We demonstrate that only the polarization component perpendicular to the plates contribute to the pressure. The obtained pressure can be both repulsive and attractive depending on whether the polarizations of both plates are unidirectional or directed in opposite directions. It is shown that although the constraints on an axion-electron coupling obtained in the case of magnetized plates are not competitive, the constraints on an axion-neutron coupling found for plates with polarized nuclear spins are of the same order of magnitude of those obtained ...

  4. Entanglement of charge transfer, hole doping, exchange interaction, and octahedron tilting angle and their influence on the conductivity of La1-xSrxFe0.75Ni0.25O3-δ: A combination of x-ray spectroscopy and diffraction

    Science.gov (United States)

    Erat, Selma; Braun, Artur; Piamonteze, Cinthia; Liu, Zhi; Ovalle, Alejandro; Schindler, Hansjürgen; Graule, Thomas; Gauckler, Ludwig J.

    2010-12-01

    Substitution of La by Sr in the 25% Ni doped charge transfer insulator LaFeO3 leads to structural changes that inflect the electrical conductivity, which is caused by small polaron hopping via charge transfer and exchange interactions. The substitution forms electron holes and causes a structural transition from orthorhombic to rhombohedral symmetry, and then to cubic symmetry. The structural crossover is accompanied by a crossover from the Fe3+-O2--Fe3+ superexchange interaction to the Fe3+-O2--Fe4+ double exchange interaction in the course of substitution, as evidenced by a considerable increase in the conductivity at ambient temperature. The charge transfer and exchange interactions depend on the superexchange angle, which approaches 180° upon increasing Sr concentration. An increase in superexchange angle leads to an increase in overlapping between the O 2p and the Fe/Ni 3d orbitals.

  5. Variable separation solutions and interacting waves of a coupled system of the modified KdV and potential BLMP equations

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Xiao-yan, E-mail: xytang@sjtu.edu.cn [Institute of System Science, School of Information Science Technology, East China Normal University, Shanghai 200241 (China); Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Faculty of Science, Ningbo University, Ningbo 315211 (China); Li, Jing [Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Liang, Zu-feng [Department of Physics, Hangzhou Normal University, Hangzhou 310036 (China); Wang, Jian-yong [Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2014-04-01

    The multilinear variable separation approach (MLVSA) is applied to a coupled modified Korteweg–de Vries and potential Boiti–Leon–Manna–Pempinelli equations, as a result, the potential fields u{sub y} and v{sub y} are exactly the universal quantity applicable to all multilinear variable separable systems. The generalized MLVSA is also applied, and it is found that u{sub y} (v{sub y}) is rightly the subtraction (addition) of two universal quantities with different parameters. Then interactions between periodic waves are discussed, for instance, the elastic interaction between two semi-periodic waves and non-elastic interaction between two periodic instantons. An attractive phenomenon is observed that a dromion moves along a semi-periodic wave.

  6. Coupled cluster study of spectroscopic constants of ground states of heavy rare gas dimers with spin-orbit interaction

    Science.gov (United States)

    Tu, Zhe-Yan; Wang, Wen-Liang; Li, Ren-Zhong; Xia, Cai-Juan; Li, Lian-Bi

    2016-07-01

    The CCSD(T) approach based on two-component relativistic effective core potential with spin-orbit interaction just included in coupled cluster iteration is adopted to study the spectroscopic constants of ground states of Kr2, Xe2 and Rn2 dimers. The spectroscopic constants have significant basis set dependence. Extrapolation to the complete basis set limit provides the most accurate values. The spin-orbit interaction hardly affects the spectroscopic constants of Kr2 and Xe2. However, the equilibrium bond length is shortened about 0.013 Å and the dissociation energy is augmented about 18 cm-1 by the spin-orbit interaction for Rn2 in the complete basis set limit.

  7. Modified holographic Ricci dark energy coupled to interacting relativistic and non-relativistic dark matter in the nonflat universe

    CERN Document Server

    Li, En-Kun; Geng, Jin-Ling

    2014-01-01

    The modified holographic Ricci dark energy coupled to interacting relativistic and non-relativistic dark matter is considered in the nonflat Friedmann-Robertson-Walker universe. Through examining the deceleration parameter, one can find that the transition time of the Universe from decelerating to accelerating phase in the interacting holographic Ricci dark energy model is close to that in the $\\Lambda$ cold dark matter model. The evolution of modified holographic Ricci dark energy's state parameter and the evolution of dark matter and dark energy's densities shows that the dark energy holds the dominant position from the near past to the future. By studying the statefinder diagnostic and the evolution of the total pressure, one can find that this model could explain the Universe's transition from the radiation to accelerating expansion stage through the dust stage. According to the $Om$ diagnostic, it is easy to find that when the interaction is weak and the proportion of relativistic dark matter in total da...

  8. Effects of different kinds of couple interaction on cortisol and heart rate responses to stress in women.

    Science.gov (United States)

    Ditzen, Beate; Neumann, Inga D; Bodenmann, Guy; von Dawans, Bernadette; Turner, Rebecca A; Ehlert, Ulrike; Heinrichs, Markus

    2007-06-01

    In animal studies, positive social interaction and physical contact play a preeminent role in the control of behavioral and neuroendocrine responses to stress. The aim of this study was to determine whether specific kinds of couple interaction reduce hypothalamic-pituitary-adrenal (HPA) and autonomic responses to psychosocial stress in women. Sixty-seven women, aged 20-37 years, who had been married or cohabiting with a male partner for at least 12 months at the time of the study, were exposed to a standardized psychosocial laboratory stressor (Trier Social Stress Test). Participants were randomly assigned to three study groups differing in the type of a 10-min period of social interaction with their partner prior to stress: n=25 with no partner interaction, n=22 with verbal social support, and n=20 with physical contact (standardized neck and shoulder massage). Salivary free cortisol levels, plasma levels of oxytocin, heart rate, and psychological responses to stress were compared among the three study groups. Women with positive physical partner contact before stress exhibited significantly lower cortisol and heart rate responses to stress but no different plasma oxytocin levels compared to women who received social support or no social interaction. Verbal social support alone was not associated with reduced stress responsiveness. Our results are in line with previous human studies indicating reduced responsiveness to verbal social support by a spouse in women. More importantly, these findings imply a direct protective effect of touch on stress-related neurobiological systems as a possible underlying mechanism of health beneficial effects of positive couple interaction.

  9. The Interactive Climate and Vegetation Along the Pole-Equator Belts Simulated by a Global Coupled Model

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The interaction between climate and vegetation along four Pole-Equator-Pole (PEP) belts were explored using a global two-way coupled model, AVIM-GOALS, which links the ecophysiological processes at the land surface with the general circulation model (GCM). The PEP belts are important in linking the climate change with the variation of sea and land, including terrestrial ecosystems. Previous PEP belts studies have mainly focused on the paleoclimate variation and its reconstruction. This study analyzes and discusses the interaction between modern climate and vegetation represented by leaf area index (LAI) and net primary production (NPP). The results show that the simulated LAI variation, corresponding to the observed LAI variation, agrees with the peak-valley variation of precipitation in these belts. The annual mean NPP simulated by the coupled model is also consistent with PIK NPP data in its overall variation trend along the four belts, which is a good example to promote global ecological studies by coupling the climate and vegetation models. A large discrepancy between the simulated and estimated LAI emerges to the south of 15°N along PEP 3 and to the south of 18°S in PEP 1S, and the discrepancy for the simulated NPP and PIK data in the two regions is relatively smaller in contrast to the LAI difference. Precipitation is a key factor affecting vegetation variation, and the overall trend of LAI and NPP corresponds more obviously to precipitation variation than temperature change along most parts of these PEP belts.

  10. Evolution of a G protein-coupled receptor response by mutations in regulatory network interactions

    DEFF Research Database (Denmark)

    Di Roberto, Raphaël B; Chang, Belinda; Trusina, Ala

    2016-01-01

    All cellular functions depend on the concerted action of multiple proteins organized in complex networks. To understand how selection acts on protein networks, we used the yeast mating receptor Ste2, a pheromone-activated G protein-coupled receptor, as a model system. In Saccharomyces cerevisiae,...

  11. The influence of magnetostatic interactions in exchange-coupled composite particles

    DEFF Research Database (Denmark)

    Vokoun, D.; Beleggia, Marco; De Graef, M.;

    2010-01-01

    Exchange-coupled composite (ECC) particles are the basic constituents of ECC magnetic recording media. We examine and compare two types of ECC particles: (i) core-shell structures, consisting of a hard-magnetic core and a coaxial soft-magnetic shell and (ii) conventional ECC particles, with a hard...

  12. Constraining axion coupling constants from measuring the Casimir interaction between polarized test bodies

    Science.gov (United States)

    Bezerra, V. B.; Klimchitskaya, G. L.; Mostepanenko, V. M.; Romero, C.

    2016-08-01

    We propose an experiment for measuring the effective Casimir pressure between two parallel silicon carbide (SiC) plates with aligned nuclear spins. The prospective constraints on an axion-neutron coupling constant for both hadronic and grand unified theory (GUT) axions are calculated using the process of one-axion exchange. For this purpose, a general expression for the additional pressure arising between two polarized plates due to the exchange of one axion between their constituent fermions is derived. We demonstrate that only the polarization component perpendicular to the plates contributes to the pressure. The obtained pressure can be both repulsive and attractive depending on whether the polarizations of both plates are unidirectional or directed in opposite directions. It is shown that although the constraints on an axion-electron coupling obtained in the case of magnetized plates are not competitive, the constraints on an axion-neutron coupling found for plates with polarized nuclear spins are of the same order of magnitude as those obtained previously for the GUT axions alone using the process of two-axion exchange. The proposed experiment allows us also to strengthen the presently known constraints on the axion-neutron coupling constants of GUT axions by using both processes of one- and two-axion exchange.

  13. Evolution of a G protein-coupled receptor response by mutations in regulatory network interactions

    DEFF Research Database (Denmark)

    Di Roberto, Raphaël B; Chang, Belinda; Trusina, Ala;

    2016-01-01

    All cellular functions depend on the concerted action of multiple proteins organized in complex networks. To understand how selection acts on protein networks, we used the yeast mating receptor Ste2, a pheromone-activated G protein-coupled receptor, as a model system. In Saccharomyces cerevisiae...

  14. Meso-scale coupling of FEM/DEM for fluid-particle interactions,

    NARCIS (Netherlands)

    Srivastava, S.; Yazdchi, K.; Luding, S.

    2014-01-01

    A new method for two-way fluid–particle coupling on an unstructured mesoscopically coarse mesh is presented. In this approach, we combine a (higher order) finite-element method (FEM) on the moving mesh for the fluid with a soft sphere discrete-element method for the particles. The novel feature of t

  15. Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance.

    Science.gov (United States)

    Fatehi, Shervin; Alguire, Ethan; Shao, Yihan; Subotnik, Joseph E

    2011-12-21

    We present a method for analytically calculating the derivative couplings between a pair of configuration-interaction-singles (CIS) excited states obtained in an atom-centered basis. Our theory is exact and has been derived using two completely independent approaches: one inspired by the Hellmann-Feynman theorem and the other following from direct differentiation. (The former is new, while the latter is in the spirit of existing approaches in the literature.) Our expression for the derivative couplings incorporates all Pulay effects associated with the use of an atom-centered basis, and the computational cost is minimal, roughly comparable to that of a single CIS energy gradient. We have validated our method against CIS finite-difference results and have applied it to the lowest lying excited states of naphthalene; we find that naphthalene derivative couplings include Pulay contributions sufficient to have a qualitative effect. Going beyond standard problems in analytic gradient theory, we have also constructed a correction, based on perturbative electron-translation factors, for including electronic momentum and eliminating spurious components of the derivative couplings that break translational symmetry. This correction is general and can be applied to any level of electronic structure theory.

  16. Model for a Universe described by a non-minimally coupled scalar field and interacting dark matter

    CERN Document Server

    Binder, J B

    2006-01-01

    In this work it is investigated the evolution of a Universe where a scalar field, non-minimally coupled to space-time curvature, plays the role of quintessence and drives the Universe to a present accelerated expansion. A non-relativistic dark matter constituent that interacts directly with dark energy is also considered, where the dark matter particle mass is assumed to be proportional to the value of the scalar field. Two models for dark matter pressure are considered: the usual one, pressureless, and another that comes from a thermodynamic theory and relates the pressure with the coupling between the scalar field and the curvature scalar. Although the model has a strong dependence on the initial conditions, it is shown that the mixture consisted of dark components plus baryonic matter and radiation can reproduce the expected red-shift behavior of the deceleration parameter, density parameters and luminosity distance.

  17. Interactions of localized wave structures and dynamics in the defocusing coupled nonlinear Schrödinger equations

    Science.gov (United States)

    Zhang, Guoqiang; Yan, Zhenya; Wen, Xiao-Yong; Chen, Yong

    2017-04-01

    We investigate the defocusing coupled nonlinear Schrödinger equations from a 3 ×3 Lax pair. The Darboux transformations with the nonzero plane-wave solutions are presented to derive the newly localized wave solutions including dark-dark and bright-dark solitons, breather-breather solutions, and different types of new vector rogue wave solutions, as well as interactions between distinct types of localized wave solutions. Moreover, we analyze these solutions by means of parameters modulation. Finally, the perturbed wave propagations of some obtained solutions are explored by means of systematic simulations, which demonstrates that nearly stable and strongly unstable solutions. Our research results could constitute a significant contribution to explore the distinct nonlinear waves (e.g., dark solitons, breather solutions, and rogue wave solutions) dynamics of the coupled system in related fields such as nonlinear optics, plasma physics, oceanography, and Bose-Einstein condensates.

  18. Dynamics of coupled mutualistic and antagonistic interactions, and their implications for ecosystem management.

    Science.gov (United States)

    Georgelin, E; Loeuille, N

    2014-04-07

    Understanding the interplay of antagonistic and mutualistic interactions is an important challenge for predicting the fate of ecological communities. So far, studies of propagation of disturbances have focused on a single interaction type (antagonistic or mutualistic), leaving out part of the natural diversity. We develop a model that describes the dynamics of a plant species interacting with one antagonistic (e.g. an herbivore) and one mutualistic (e.g. a pollinator) species confronted to a perturbation to assess how each interaction type will affect the other. We analyze the effect of additional mortality as a press perturbation acting on the plant's partners. We study how the intensity of the disturbance and the relative sensitivities of partner species determine community structure, as well as extinction orders. We show that due to indirect effects between the two types of interactions, additional mortality on both pollinators and herbivores can either decrease or increase their densities. The presence of pollinators can stabilize the antagonistic interaction by preventing cyclic dynamics in the plant-herbivore system. We propose explanatory mechanisms based on indirect effects and discuss the implications of our results for the conservation of interactions and communities. Our results suggest that, in agricultural landscapes, direct effects of insecticides on herbivore densities can be fully offset by indirect effects mediated through pollinators. The loss of pollinators, due to insecticide use, can also destabilize the dynamics of insect herbivores.

  19. Hierarchical equations of motion approach to transport through an Anderson impurity coupled to interacting Luttinger liquid leads

    Science.gov (United States)

    Okamoto, Jun-ichi; Mathey, Ludwig; Härtle, Rainer

    2016-12-01

    We generalize the hierarchical equations of motion method to study electron transport through a quantum dot or molecule coupled to one-dimensional interacting leads that can be described as Luttinger liquids. Such leads can be realized, for example, by quantum wires or fractional quantum Hall edge states. In comparison to noninteracting metallic leads, Luttinger liquid leads involve many-body correlations and the single-particle tunneling density of states shows a power-law singularity at the chemical potential. Using the generalized hierarchical equations of motion method, we assess the importance of the singularity and the next-to-leading order many-body correlations. To this end, we compare numerically converged results with second- and first-order results of the hybridization expansion that is inherent to our method. As a test case, we study transport through a single-level quantum dot or molecule that can be described by an Anderson impurity model. Cotunneling effects turn out to be most pronounced for attractive interactions in the leads or repulsive ones if an excitonic coupling between the dot and the leads is realized. We also find that an interaction-induced negative differential conductance near the Coulomb blockade thresholds is slightly suppressed as compared to a first-order and/or rate equation result. Moreover, we find that the two-particle (n -particle) correlations enter as a second-order (n -order) effect and are, thus, not very pronounced at the high temperatures and parameters that we consider.

  20. Fully coupled ice sheet-earth system model: How does the Greenlandic ice sheet interact in a changing climate

    Science.gov (United States)

    Rodehacke, C.; Mikolajewicz, U.; Vizcaino, M.

    2012-04-01

    As ice sheets belong to the slowest climate components, they are usually not interactively coupled in current climate models. Therefore, long-term climate projections are incomplete and only the consideration of ice sheet interactions allows tackling fundamental questions, such as how do ice sheets modify the reaction of the climate systems under a strong CO2 forcing? The earth system model MPI-ESM, with the atmosphere model ECHAM6 and ocean model MPIOM, is coupled to the modified ice sheet model PISM. This ice sheet model, which is developed at the University of Fairbanks, represents the ice sheet of Greenland at a horizontal resolution of 10 km. The coupling is performed by calculating the surface mass balance based on 6-hourly atmospheric data to determine the boundary condition for the ice sheet model. The response of the ice sheet to this forcing, which includes orographic changes and fresh water fluxes, are passed back to the ESM. In contrast to commonly used strategies, we use a mass conserving scheme and do therefore neither apply flux corrections nor utilize anomaly coupling. Under a strong CO2 forcing a disintegrating Greenlandic ice sheet contributes to a rising sea level and has the potential to alter the formation of deep water masses in the adjacent formation sites Labrador Sea and Nordic Seas. We will present results for an idealized forcing with a growing atmospheric CO2 concentration that rises by 1% per year until four-times the pre-industrial level has been reached. We will discuss the reaction of the ice sheet and immediate responses of the ocean to ice loss.

  1. NAO-ocean circulation interactions in a coupled general circulation model

    Energy Technology Data Exchange (ETDEWEB)

    Bellucci, A. [Centro Euro-Mediterraneo per i Cambiamenti Climatici, Bologna (Italy); Gualdi, S.; Navarra, A. [Centro Euro-Mediterraneo per i Cambiamenti Climatici, Bologna (Italy); Istituto Nazionale di Geofisica e Vulcanologia, Bologna (Italy); Scoccimarro, E. [Istituto Nazionale di Geofisica e Vulcanologia, Bologna (Italy)

    2008-12-15

    The interplay between the North Atlantic Oscillation (NAO) and the large scale ocean circulation is inspected in a twentieth century simulation conducted with a state-of-the-art coupled general circulation model. Significant lead-lag covariance between oceanic and tropospheric variables suggests that the system supports a damped oscillatory mode involving an active ocean-atmosphere coupling, with a typical NAO-like space structure and a 5 years timescale, qualitatively consistent with a mid-latitude delayed oscillator paradigm. The two essential processes governing the oscillation are (1) a negative feedback between ocean gyre circulation and the high latitude SST meridional gradient and (2) a positive feedback between SST and the NAO. The atmospheric NAO pattern appears to have a weaker projection on the ocean meridional overturning, compared to the gyre circulation, which leads to a secondary role for the thermohaline circulation in driving the meridional heat transport, and thus the oscillatory mode. (orig.)

  2. On strongly interacting internal waves in a rotating ocean and coupled Ostrovsky equations.

    Science.gov (United States)

    Alias, A; Grimshaw, R H J; Khusnutdinova, K R

    2013-06-01

    In the weakly nonlinear limit, oceanic internal solitary waves for a single linear long wave mode are described by the KdV equation, extended to the Ostrovsky equation in the presence of background rotation. In this paper we consider the scenario when two different linear long wave modes have nearly coincident phase speeds and show that the appropriate model is a system of two coupled Ostrovsky equations. These are systematically derived for a density-stratified ocean. Some preliminary numerical simulations are reported which show that, in the generic case, initial solitary-like waves are destroyed and replaced by two coupled nonlinear wave packets, being the counterpart of the same phenomenon in the single Ostrovsky equation.

  3. Finite-volume Hamiltonian method for coupled channel interactions in lattice QCD

    CERN Document Server

    Wu, Jia-Jun; Thomas, A W; Young, R D

    2014-01-01

    Within a multi-channel formulation of $\\pi\\pi$ scattering, we investigate the use of the finite-volume Hamiltonian approach to relate lattice QCD spectra to scattering observables. The equivalence of the Hamiltonian approach and the coupled-channel extension of the well-known L\\"uscher formalism is established. Unlike the single channel system, the spectra at a single lattice volume in the coupled channel case do not uniquely determine the scattering parameters. We investigate the use of the Hamiltonian framework as a method to directly fit the lattice spectra and thereby extract the scattering phase shifts and inelasticities. We find that with a modest amount of lattice data, the scattering parameters can be reproduced rather well, with only a minor degree of model dependence.

  4. G protein-coupled receptor regulation: The role of protein interactions and receptor trafficking

    OpenAIRE

    Sandén, Caroline

    2009-01-01

    The superfamily of G protein-coupled receptors (GPCR) is the largest gene family in the human genome. GPCR-mediated signaling operates in every human cell, and about 50% of existing clinically useful drugs act through GPCR. Kinins are proinflammatory peptides that are rapidly produced extracellularly following pathological insults and tissue damage. These peptides act through two GPCR subtypes, B1 (B1R) and B2 (B2R), to elicit numerous inflammatory responses including vasodilatiation, increas...

  5. Coupling hydrodynamics and radiation calculations for star-jet interactions in AGN

    CERN Document Server

    de la Cita, Víctor M; Paredes-Fortuny, Xavier; Khangulyan, Dmitry; Perucho, Manel

    2016-01-01

    Stars and their winds can contribute to the non-thermal (NT) emission in extragalactic jets. Given the complexity of jet-star interactions, the properties of the resulting emission are strongly linked to those of the emitting flows. We simulate the interaction between a stellar wind and a relativistic extragalactic jet and use the hydrodynamic results to compute the NT emission under different conditions. We perform relativistic axisymmetric hydrodynamical simulations of a relativistic jet interacting with a supersonic, non-relativistic stellar wind. We compute the corresponding streamlines out of the simulation results, and calculate the injection, evolution, and emission of NT particles accelerated in the jet shock, focusing on electrons or $e^\\pm$-pairs. Several cases are explored, considering different jet-star interaction locations, magnetic fields and observer lines of sight. The jet luminosity and star properties are fixed, but the results are easily scalable under changes of these parameters. Individu...

  6. Modeling coupled blast/structure interaction with Zapotec, benchmark calculations for the Conventional Weapon Effects Backfill (CONWEB) tests.

    Energy Technology Data Exchange (ETDEWEB)

    Bessette, Gregory Carl

    2004-09-01

    Modeling the response of buried reinforced concrete structures subjected to close-in detonations of conventional high explosives poses a challenge for a number of reasons. Foremost, there is the potential for coupled interaction between the blast and structure. Coupling enters the problem whenever the structure deformation affects the stress state in the neighboring soil, which in turn, affects the loading on the structure. Additional challenges for numerical modeling include handling disparate degrees of material deformation encountered in the structure and surrounding soil, modeling the structure details (e.g., modeling the concrete with embedded reinforcement, jointed connections, etc.), providing adequate mesh resolution, and characterizing the soil response under blast loading. There are numerous numerical approaches for modeling this class of problem (e.g., coupled finite element/smooth particle hydrodynamics, arbitrary Lagrange-Eulerian methods, etc.). The focus of this work will be the use of a coupled Euler-Lagrange (CEL) solution approach. In particular, the development and application of a CEL capability within the Zapotec code is described. Zapotec links two production codes, CTH and Pronto3D. CTH, an Eulerian shock physics code, performs the Eulerian portion of the calculation, while Pronto3D, an explicit finite element code, performs the Lagrangian portion. The two codes are run concurrently with the appropriate portions of a problem solved on their respective computational domains. Zapotec handles the coupling between the two domains. The application of the CEL methodology within Zapotec for modeling coupled blast/structure interaction will be investigated by a series of benchmark calculations. These benchmarks rely on data from the Conventional Weapons Effects Backfill (CONWEB) test series. In these tests, a 15.4-lb pipe-encased C-4 charge was detonated in soil at a 5-foot standoff from a buried test structure. The test structure was composed of a

  7. Intermolecular interactions between imidazole derivatives intercalated in layered solids. Substituent group effect

    Energy Technology Data Exchange (ETDEWEB)

    González, M.; Lemus-Santana, A.A. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Rodríguez-Hernández, J. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Instituto de Ciencia y Tecnología de Materiales, Universidad de La Habana, Havana (Cuba); Aguirre-Velez, C.I. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Knobel, M. [Institute of Physics “Gleb Wataghin”, UNICAMP, 13083-970 Campinas, SP (Brazil); Reguera, E., E-mail: edilso.reguera@gmail.com [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico)

    2013-08-15

    This study sheds light on the intermolecular interactions between imidazole derive molecules (2-methyl-imidazole, 2-ethyl-imidazole and benzimidazole) intercalated in T[Ni(CN){sub 4}] layers to form a solid of formula unit T(ImD){sub 2}[Ni(CN){sub 4}]. These hybrid inorganic–organic solids were prepared by soft chemical routes and their crystal structures solved and refined from X-ray powder diffraction data. The involved imidazole derivative molecules were found coordinated through the pyridinic N atom to the axial positions for the metal T in the T[Ni(CN){sub 4}] layer. In the interlayers region ligand molecules from neighboring layers remain stacked in a face-to-face configuration through dipole–dipole and quadrupole–quadrupole interactions. These intermolecular interactions show a pronounced dependence on the substituent group and are responsible for an ImD-pillaring concatenation of adjacent layers. This is supported by the structural information and the recorded magnetic data in the 2–300 K temperature range. The samples containing Co and Ni are characterized by presence of spin–orbit coupling and pronounced temperature dependence for the effective magnetic moment except for 2-ethyl-imidazole related to the local distortion for the metal coordination environment. For this last one ligand a weak ferromagnetic ordering ascribed to a super-exchange interaction between T metals from neighboring layers through the ligands π–π interaction was detected. - Graphical abstract: In the interlayers region imidazole derivative molecules are oriented according to their dipolar and quadrupolar interactions and minimizing the steric impediment. Highlights: • Imidazole derivatives intercalation compounds. • Intermolecular interaction between intercalated imidazole derivatives. • Hybrid inorganic–organic solids. • Pi–pi interactions and ferromagnetic coupling. • Dipolar and quadrupolar interactions between intercalated imidazole derivatives.

  8. Studying urban land-atmospheric interactions by coupling an urban canopy model with a single column atmospheric models

    Science.gov (United States)

    Song, J.; Wang, Z.

    2013-12-01

    Studying urban land-atmospheric interactions by coupling an urban canopy model with a single column atmospheric models Jiyun Song and Zhi-Hua Wang School of Sustainable Engineering and the Built Environment, Arizona State University, PO Box 875306, Tempe, AZ 85287-5306 Landuse landcover changes in urban area will modify surface energy budgets, turbulent fluxes as well as dynamic and thermodynamic structures of the overlying atmospheric boundary layer (ABL). In order to study urban land-atmospheric interactions, we coupled a single column atmospheric model (SCM) to a cutting-edge single layer urban canopy model (SLUCM). Modification of surface parameters such as the fraction of vegetation and engineered pavements, thermal properties of building and pavement materials, and geometrical features of street canyon, etc. in SLUCM dictates the evolution of surface balance of energy, water and momentum. The land surface states then provide lower boundary conditions to the overlying atmosphere, which in turn modulates the modification of ABL structure as well as vertical profiles of temperature, humidity, wind speed and tracer gases. The coupled SLUCM-SCM model is tested against field measurements of surface layer fluxes as well as profiles of temperature and humidity in the mixed layer under convective conditions. After model test, SLUCM-SCM is used to simulate the effect of changing urban land surface conditions on the evolution of ABL structure and dynamics. Simulation results show that despite the prescribed atmospheric forcing, land surface states impose significant impact on the physics of the overlying vertical atmospheric layer. Overall, this numerical framework provides a useful standalone modeling tool to assess the impacts of urban land surface conditions on the local hydrometeorology through land-atmospheric interactions. It also has potentially far-reaching implications to urban ecohydrological services for cities under future expansion and climate challenges.

  9. Controllability of spin 1 systems and realization of ternary SWAP gate in two spin 1 systems coupled with Ising interaction

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    In this paper,we investigate the controllability of spin 1 systems and the realization of ternary gates.Using dipole and quadrupole operators as the orthogonal basis of su(3) algebra,we discuss the controllability of one spin 1 systems and offer the concept of a complete set of control operators first.Then we present the controllability of two spin 1 systems coupled with Ising interaction and the transforming relations of the drift process of the system.Finally the specific realization of the ternary SWAP gate in these systems is discussed.It takes 9 drift processes and 25 basic control processes.

  10. Non-Markovian Dynamics for a Two-Atom-Coupled System Interacting with Local Reservoir at Finite Temperature

    Science.gov (United States)

    Jiang, Li; Zhang, Guo-Feng

    2017-03-01

    By using the effective non-Markovian measure (Breuer et al., Phys. Rev. Lett. 103, 210401 2009) we investigate non-Markovian dynamics of a pair of two-level atoms (TLAs) system, each of which interacting with a local reservoir. We show that subsystem dynamics can be controlled by manipulating the coupling between TLAs, temperature and relaxation rate of the atoms. Moreover, the correlation between non-Markovianity of subsystem and entanglement between the subsystem and the structured bath is investigated, the results show that the emergence of non-Markovianity has a negative effect on the entanglement.

  11. Spectroscopy of RFe3(BO3)4 multiferroics: phase transitions, spin-phonon interaction, coupled electron-phonon modes

    Science.gov (United States)

    Popova, M. N.

    2016-12-01

    Review of the work performed in the author's laboratory is given, on high-resolution Fourier spectroscopy studies of multiferroics from the family of rare-earth iron borates with the structure of the natural mineral huntite. For these multiferroics, we reveal spectral signatures of interactions between electronic, spin, and lattice degrees of freedom. We have observed and investigated coupled electron-phonon modes in PrFe3(BO3)4 and TbFe3(BO3)4. The structure of the magnetically ordered phase of EuFe3(BO3)4 is determined.

  12. Interactivity And Mental Arithmetic: Coupling Mind And World Transforms And Enhances Performance

    Directory of Open Access Journals (Sweden)

    Guthrie Lisa G.

    2015-06-01

    Full Text Available Interactivity has been linked to better performance in problem solving, due in part to a more efficient allocation of attentional resources, a better distribution of cognitive load, but perhaps more important by enabling the reasoner to shape and reshape the physical problem presentation to promote the development of the problem solution. Interactivity in solving quotidian arithmetic problems involves gestures, pointing, and the recruitment of artefacts to facilitate computation and augment efficiency. In the experiment reported here, different types of interactivity were examined with a series of mental arithmetic problems. Using a repeated-measures design, participants solved series of five 11-digit sums in four conditions that varied in the type of interactivity: (i no interactivity (participants solved the problems with their hands on the table top, (ii pointing (participants could point at the numbers, (iii pen and paper (participants could note interim totals with a pen, and (iv tokens (the sums were presented as 11 numbered tokens the arrangement of which participants were free to modify as they proceeded to the solution. Performance in the four conditions was measured in terms of accuracy, calculation error, and efficiency (a ratio composed of the proportion correct over the proportion of time invested in working on the sums. These quantitative analyses were supplemented by a detailed qualitative examination of a participant’s actions in the different conditions. The integration of artefacts, such as tokens or a pen, offered reasoners the opportunity to reconfigure the physical presentation of the problem, enacting different arithmetic strategies: the affordance landscape shifts as the problem trajectory is enacted through interactivity, and this generally produced better “mental” arithmetic performance. Participants also felt more positive about and better engaged with the task when they could reconfigure the problem presentation

  13. Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions

    Energy Technology Data Exchange (ETDEWEB)

    Azar, Richard Julian, E-mail: julianazar2323@berkeley.edu; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-05-28

    Your correspondents develop and apply fully nonorthogonal, local-reference perturbation theories describing non-covalent interactions. Our formulations are based on a Löwdin partitioning of the similarity-transformed Hamiltonian into a zeroth-order intramonomer piece (taking local CCSD solutions as its zeroth-order eigenfunction) plus a first-order piece coupling the fragments. If considerations are limited to a single molecule, the proposed intermolecular similarity-transformed perturbation theory represents a frozen-orbital variant of the “(2)”-type theories shown to be competitive with CCSD(T) and of similar cost if all terms are retained. Different restrictions on the zeroth- and first-order amplitudes are explored in the context of large-computation tractability and elucidation of non-local effects in the space of singles and doubles. To accurately approximate CCSD intermolecular interaction energies, a quadratically growing number of variables must be included at zeroth-order.

  14. A PALB2-interacting domain in RNF168 couples homologous recombination to DNA break-induced chromatin ubiquitylation

    DEFF Research Database (Denmark)

    Luijsterburg, Martijn S; Typas, Dimitris; Caron, Marie-Christine

    2017-01-01

    DNA double-strand breaks (DSB) elicit a ubiquitylation cascade that controls DNA repair pathway choice. This cascade involves the ubiquitylation of histone H2A by the RNF168 ligase and the subsequent recruitment of RIF1, which suppresses homologous recombination (HR) in G1 cells. The RIF1-dependent...... recognizes histone ubiquitylation by physically associating with ubiquitin-bound RNF168. This direct interaction is mediated by the newly identified PALB2-interacting domain (PID) in RNF168 and the WD40 domain in PALB2, and drives DNA repair by facilitating the assembly of PALB2-containing HR complexes...... at DSBs. Our findings demonstrate that RNF168 couples PALB2-dependent HR to H2A ubiquitylation to promote DNA repair and preserve genome integrity....

  15. Coupled Vulnerability and Resilience: the Dynamics of Cross-Scale Interactions in Post-Katrina New Orleans

    Directory of Open Access Journals (Sweden)

    Kevin F. Gotham

    2011-09-01

    Full Text Available We investigate the impact of trauma on cross-scale interactions in order to identify the major social-ecological factors affecting the pace and trajectory of post-Katrina rebuilding in New Orleans, Louisiana, USA. Disaster and traumatic events create and activate networks and linkages at different spatial and institutional levels to provide information and resources related to post-trauma recovery and rebuilding. The extension, intensification, and acceleration of cross-scale linkages and interactions in response to trauma alter organizational couplings, which then contribute to the vulnerability and resilience of social-ecological systems. Rather than viewing urban ecosystems as either resilient or vulnerable, we conceptualize them as embodying both resilient and vulnerable components. This integrated approach directs analytical attention to the impact of socio-legal regulations, government policies, and institutional actions on resilience and vulnerability, which are also systemic properties of urban ecosystems.

  16. Longitudinal and transverse coupling in infrared gold nanoantenna arrays: long range versus short range interaction regimes

    Science.gov (United States)

    Weber, Daniel; Albella, Pablo; Alonso-González, Pablo; Neubrech, Frank; Gui, Han; Nagao, Tadaaki; Hillenbrand, Rainer; Aizpurua, Javier; Pucci, Annemarie

    2011-08-01

    Interaction between micrometer-long nanoantennas within an array considerably modifies the plasmonic resonant behaviour; for fundamental resonances in the infrared already at micrometer distances. In order to get systematic knowledge on the relationship between infrared plasmonic resonances and separation distances dx and dy in longitudinal and transverse direction, respectively, we experimentally studied the optical extinction spectra for rectangularly ordered lithographic gold nanorod arrays on silicon wafers. For small dy, strong broadening of resonances and strongly decreased values of far-field extinction are detected which come along with a decreased near-field intensity, as indicated by near-field amplitude maps of the interacting nanoantennas. In contrast, near-field interaction over small dx does only marginally broaden the resonance. Our findings set a path for optimum design of rectangular nanorod lattices for surface enhanced infrared spectroscopy.

  17. Plasma lipid analysis by hydrophilic interaction liquid chromatography coupled with electrospray ionization tandem mass spectrometry.

    Science.gov (United States)

    Sonomura, Kazuhiro; Kudoh, Shinobu; Sato, Taka-Aki; Matsuda, Fumihiko

    2015-06-01

    A novel method for the analysis of endogenous lipids and related compounds was developed employing hydrophilic interaction liquid chromatography with electrospray ionization tandem mass spectrometry. A hydrophilic interaction liquid chromatography with carbamoyl stationary phase achieved clear separation of phosphatidylcholine, lysophosphatidylcholine, sphingomyelin, ceramide, and mono-hexsosyl ceramide groups with good peak area repeatability (RSD% 0.99). The established method was applied to human plasma assays and a total of 117 endogenous lipids were successfully detected and reproducibly identified. In addition, we investigated the simultaneous detection of small polar metabolites such as amino and organic acids co-existing in the same biological samples processed in a single analytical run with lipids. Our results show that hydrophilic interaction liquid chromatography is a useful tool for human plasma lipidome analysis and offers more comprehensive metabolome coverage.

  18. Coupled electrostatic and material surface stresses yield anomalous particle interactions and deformation

    Energy Technology Data Exchange (ETDEWEB)

    Kemp, B. A., E-mail: bkemp@astate.edu; Nikolayev, I. [College of Engineering, Arkansas State University, Jonesboro, Arkansas 72467 (United States); Sheppard, C. J. [College of Sciences and Mathematics, Arkansas State University, Jonesboro, Arkansas 72467 (United States)

    2016-04-14

    Like-charges repel, and opposite charges attract. This fundamental tenet is a result of Coulomb's law. However, the electrostatic interactions between dielectric particles remain topical due to observations of like-charged particle attraction and the self-assembly of colloidal systems. Here, we show, using both an approximate description and an exact solution of Maxwell's equations, that nonlinear charged particle forces result even for linear material systems and can be responsible for anomalous electrostatic interactions such as like-charged particle attraction and oppositely charged particle repulsion. Furthermore, these electrostatic interactions and the deformation of such particles have fundamental implications for our understanding of macroscopic electrodynamics.

  19. Limit on right hand weak coupling parameters from inelastic neutrino interactions

    CERN Document Server

    Abramowicz, H; De Groot, J G H; Dydak, F; Eisele, F; Flottmann, T; Geweniger, C; Guyot, C; He, J T; Klasen, H P; Kleinknecht, K; Knobloch, J; Królikowski, J; May, J; Merlo, J P; Palazzi, P; Para, A; Peyaud, B; Pszola, B; Rander, J; Ranjard, F; Renk, B; Rothberg, J E; Ruan, T Z; Schlatter, W D; Schuller, J P; Steinberger, J; Taureg, H; Tittel, K; Turlay, René; von Rüden, Wolfgang; Wahl, H; Willutzki, H J; Wotschack, J; Wu, W M

    1982-01-01

    Right handed weak quark current coupled to the usual left handed weak lepton current would be seen in inclusive antineutrino scattering on nuclei as a contribution at large y with the quark (not antiquark) structure function. The authors do not see such a term, and can therefore put an upper limit on the relative strengths of such right handed currents: rho /sup 2/= sigma /sub R// sigma /sub L/ <0.009, 90% confidence. This measurement puts limits on the mixing angle of left- right symmetric models. In distinction to similar limits derived from muon decay or beta decay, our limits are also valid if the right handed neutrino is heavy.

  20. Interface Coupling Transition in a Thin EpitaxialAntiferromagnetic Film Interacting with a Ferromagnetic Substrate

    Energy Technology Data Exchange (ETDEWEB)

    Finazzi, M.; Brambilla, A.; Biagioni, P.; Graf, J.; Gweon, G.-H.; Scholl, A.; Lanzara, A.; Duo, L.

    2006-09-07

    We report experimental evidence for a transition in theinterface coupling between an antiferromagnetic film and a ferromagneticsubstrate. The transition is observed in a thin epitaxial NiO film grownon top of Fe(001) as the film thickness is increased. Photoemissionelectron microscopy excited with linearly polarized x rays shows that theNiO film is antiferromagnetic at room temperature with in-plane uniaxialmagnetic anisotropy. The anisotropy axis is perpendicular to the Fesubstrate magnetization when the NiO thickness is less than about 15A,but rapidly becomes parallel to the Fe magnetization for a NiO coveragehigher than 25 A.

  1. Non-compact QED(3) coupled to a four-fermi interaction

    CERN Document Server

    Kogut, J B; Tziligakis, I N

    2005-01-01

    We present preliminary numerical results for the three dimensional non-compact QED with a weak four-fermion term in the lattice action. Approaches based on Schwinger-Dyson studies, arguments based on thermodynamic inequalities and numerical simulations lead to estimates of the critical number of fermion flavors (below which chiral symmetry is broken) ranging from $N_{fc}=1$ to $N_{fc}=4$. The weak four-fermion coupling provides the framework for an improved algorithm, which allows us to simulate the chiral limit of massless fermions and expose delicate effects.

  2. Evaluation of Interaction Between Flat Car and Container at Dynamic Coupling of Flat Cars

    Directory of Open Access Journals (Sweden)

    Nikitchenko Andrew

    2016-01-01

    Full Text Available Innovative materials and structures are analyzed in this paper. To calculate the strength of the collision of flat wagons for the transport of large containers, there is no clear methodology for determining effort interaction between the container and the platform. At high longitudinal acceleration of the container, it is set in motion, and the consideration of this problem in a static setting impossible. The relevance of this work is to develop a methodology that is based on the equations of motion and considers dynamic interaction between container and platform.

  3. Bolt-Grout Interactions in Elastoplastic Rock Mass Using Coupled FEM-FDM Techniques

    Directory of Open Access Journals (Sweden)

    Debasis Deb

    2010-01-01

    Full Text Available Numerical procedure based on finite element method (FEM and finite difference method (FDM for the analysis of bolt-grout interactions are introduced in this paper. The finite element procedure incorporates elasto-plastic concepts with Hoek and Brown yield criterion and has been applied for rock mass. Bolt-grout interactions are evaluated based on finite difference method and are embedded in the elasto-plastic procedures of FEM. The experimental validation of the proposed FEM-FDM procedures and numerical examples of a bolted tunnel are provided to demonstrate the efficacy of the proposed method for practical applications.

  4. Interactions between barrier islands and backbarrier marshes affect island system response to sea level rise: Insights from a coupled model

    Science.gov (United States)

    Walters, David; Moore, Laura J.; Duran Vinent, Orencio; Fagherazzi, Sergio; Mariotti, Giulio

    2014-09-01

    Interactions between backbarrier marshes and barrier islands will likely play an important role in determining how low-lying coastal systems respond to sea level rise and changes in storminess in the future. To assess the role of couplings between marshes and barrier islands under changing conditions, we develop and apply a coupled barrier island-marsh model (GEOMBEST+) to assess the impact of overwash deposition on backbarrier marsh morphology and of marsh morphology on rates of island migration. Our model results suggest that backbarrier marsh width is in a constant state of change until either the backbarrier basin becomes completely filled or backbarrier marsh deposits have completely eroded away. Results also suggest that overwash deposition is an important source of sediment, which allows existing narrow marshes to be maintained in a long-lasting alternate state (~500 m wide in the Virginia Barrier Islands) within a range of conditions under which they would otherwise disappear. The existence of a narrow marsh state is supported by observations of backbarrier marshes along the eastern shore of Virginia. Additional results suggest that marshes reduce accommodation in the backbarrier bay, which, in turn, decreases island migration rate. As climate change results in sea level rise, and the increased potential for intense hurricanes resulting in overwash, it is likely that these couplings will become increasingly important in determining future system behavior.

  5. Coupled interactions of organized deep convection over the tropical western pacific

    Energy Technology Data Exchange (ETDEWEB)

    Hong, X.; Raman, S. [North Carolina State Univ., Raleigh, NC (United States)

    1996-04-01

    The relationship between sea surface temperature (SST) and deep convection is complex. In general, deep convection occurs more frequently and with more intensity as SSTs become higher. This theory assumes that the atmospheric stability is sufficiently reduced to allow the onset of moist convection. However, the amount and intensity of convection observed tends to decrease with increasing SST because very warm SSTs. A reason for such decrease is the enhancements to surface fluxes of heat and moisture out of the ocean surface because of the vertical overturning associated with deep convection. Early studies used the radiative-convective models of the atmosphere to examine the role of the convective exchange of heat and moisture in maintaining the vertical temperature profile. In this paper we use a Coupled Ocean/Atmosphere Mesoscale Prediction System (COAMPS) to simulate a squall line over a tropical ocean global atmosphere/coupled ocean atmosphere response experiment (TOGA/COARE) area and to investigate how the ocean cooling mechanisms associated with organized deep convection act to limit tropical SSTs.

  6. Mesoscale dynamic coupling of finite- and discrete-element methods for fluid-particle interactions.

    Science.gov (United States)

    Srivastava, S; Yazdchi, K; Luding, S

    2014-08-06

    A new method for two-way fluid-particle coupling on an unstructured mesoscopically coarse mesh is presented. In this approach, we combine a (higher order) finite-element method (FEM) on the moving mesh for the fluid with a soft sphere discrete-element method for the particles. The novel feature of the proposed scheme is that the FEM mesh is a dynamic Delaunay triangulation based on the positions of the moving particles. Thus, the mesh can be multi-purpose: it provides (i) a framework for the discretization of the Navier-Stokes equations, (ii) a simple tool for detecting contacts between moving particles, (iii) a basis for coarse-graining or upscaling, and (iv) coupling with other physical fields (temperature, electromagnetic, etc.). This approach is suitable for a wide range of dilute and dense particulate flows, because the mesh resolution adapts with particle density in a given region. Two-way momentum exchange is implemented using semi-empirical drag laws akin to other popular approaches; for example, the discrete particle method, where a finite-volume solver on a coarser, fixed grid is used. We validate the methodology with several basic test cases, including single- and double-particle settling with analytical and empirical expectations, and flow through ordered and random porous media, when compared against finely resolved FEM simulations of flow through fixed arrays of particles.

  7. Coupled thermal-fluid analysis with flowpath-cavity interaction in a gas turbine engine

    Science.gov (United States)

    Fitzpatrick, John Nathan

    This study seeks to improve the understanding of inlet conditions of a large rotor-stator cavity in a turbofan engine, often referred to as the drive cone cavity (DCC). The inlet flow is better understood through a higher fidelity computational fluid dynamics (CFD) modeling of the inlet to the cavity, and a coupled finite element (FE) thermal to CFD fluid analysis of the cavity in order to accurately predict engine component temperatures. Accurately predicting temperature distribution in the cavity is important because temperatures directly affect the material properties including Young's modulus, yield strength, fatigue strength, creep properties. All of these properties directly affect the life of critical engine components. In addition, temperatures cause thermal expansion which changes clearances and in turn affects engine efficiency. The DCC is fed from the last stage of the high pressure compressor. One of its primary functions is to purge the air over the rotor wall to prevent it from overheating. Aero-thermal conditions within the DCC cavity are particularly challenging to predict due to the complex air flow and high heat transfer in the rotating component. Thus, in order to accurately predict metal temperatures a two-way coupled CFD-FE analysis is needed. Historically, when the cavity airflow is modeled for engine design purposes, the inlet condition has been over-simplified for the CFD analysis which impacts the results, particularly in the region around the compressor disc rim. The inlet is typically simplified by circumferentially averaging the velocity field at the inlet to the cavity which removes the effect of pressure wakes from the upstream rotor blades. The way in which these non-axisymmetric flow characteristics affect metal temperatures is not well understood. In addition, a constant air temperature scaled from a previous analysis is used as the simplified cavity inlet air temperature. Therefore, the objectives of this study are: (a) model the

  8. On in-situ visualization for strongly coupled partitioned fluid-structure interaction

    NARCIS (Netherlands)

    Fernandes, O.; Blom, D.S.; Frey, S.; Van Zuijlen, A.H.; Bijl, H.; Ertl, T.

    2015-01-01

    We present an integrated in-situ visualization approach for partitioned multi-physics simulation of fluid-structure interaction. The simulation itself is treated as a black box and only the information at the fluid-structure interface is considered, and communicated between the fluid and solid solve

  9. Coulomb drag: a probe of electron interactions in coupled quantum wells

    DEFF Research Database (Denmark)

    Jauho, Antti-Pekka

    1996-01-01

    calculations lead to several predictions of effects not yet seen experimentally We conclude that Coulomb drag, in particular when combined with magnetic fields, is a very versatile tool for directly probing interparticle interactions in dimensionally restricted systems. A further line for research could...

  10. Nonstandard Work Schedules, Couple Desynchronization, and Parent-Child Interaction : A Mixed-Methods Analysis

    NARCIS (Netherlands)

    Taeht, Kadri; Mills, Melinda

    Many children live in households where either one or both parents work nonstandard schedules in the evening, night, or weekend. This study tests two competing hypotheses of whether nonstandard schedules result in lower levels of parent-child interaction or in more time with children. Using the first

  11. Stability of Solitary Waves for Three Coupled Long Wave - Short Wave Interaction Equations

    OpenAIRE

    Borluk, H.; Erbay, S.

    2009-01-01

    In this paper we consider a three-component system of one dimensional long wave-short wave interaction equations. The system has two-parameter family of solitary wave solutions. We prove orbital stability of the solitary wave solutions using variational methods.

  12. Nonbaryonic dark matter and scalar field coupled with a transversal interaction plus decoupled radiation

    CERN Document Server

    Chimento, Luis P

    2013-01-01

    We analyze a universe filled with interacting dark matter, a scalar field accommodated as dark radiation along with dark energy plus a decoupled radiation term within the framework of spatially flat Friedmann-Robertson-Walker (FRW) spacetime. We work in a three-dimensional internal space spanned by the interaction vector and use a transversal interaction $\\mathbf{Q_t}$ for solving the source equation in order to find all the interacting component energy densities. We asymptotically reconstruct the scalar field and potential from an early radiation era to the late dominate dark energy one, passing through an intermediate epoch dominated by dark matter. We apply the $\\chi^{2}$ method to the updated observational Hubble data for constraining the cosmic parameters, contrast with the Union 2 sample of supernovae, and analyze the amount of dark energy in the radiation era. It turns out that our model fulfills the severe bound of $\\Omega_{\\rm \\phi}(z\\simeq 1100)<0.018$ at $2\\sigma$ level, is consistent with the r...

  13. Reentrant phenomenon and inverse magnetocaloric effect in a generalized spin-(1/2,  s) Fisher's super-exchange antiferromagnet.

    Science.gov (United States)

    Gálisová, Lucia

    2016-11-30

    The thermodynamic and magnetocaloric properties of a generalized spin-(1/2,  s) Fisher's super-exchange antiferromagnet are investigated precisely by using the decoration-iteration mapping transformation. Besides the critical temperature, sublattice magnetization, total magnetization, entropy and specific heat, the isothermal entropy change and adiabatic temperature change are also rigorously calculated in order to examine the cooling efficiency of the model in the vicinity of the first- and second-order phase transitions. It is shown that an enhanced inverse magnetocaloric effect occurs around the temperature interval [Formula: see text] for any magnetic-field change [Formula: see text]. The most pronounced inverse magnetocaloric effect can be found nearby the critical field, which corresponds to the zero-temperature phase transition from the long-range ordered ground state to the paramagnetic one. The observed phenomenon increases with an increasing value of decorating spins. Furthermore, sufficiently high values of decorating spins have also been linked to the possibility of observing reentrant phase transitions at finite temperatures.

  14. A battery model that fully couples mechanics and electrochemistry at both particle and electrode levels by incorporation of particle interaction

    Science.gov (United States)

    Wu, Bin; Lu, Wei

    2017-08-01

    This paper develops a multi-scale mechanical-electrochemical model which enables fully coupled mechanics and electrochemistry at both particle and electrode levels. At the particle level, solid diffusion is modeled using a generalized chemical potential to capture the effects of mechanical stress and phase transformation. At the electrode level, the stress arising from particle interaction is incorporated in a continuum model. This particle interaction stress is in addition to the traditional concept of intercalation stress inside isolated particles. The particle and continuum electrode levels are linked by the particle interaction stress as loads on the particle surface, and by consideration of stress on the electrochemical reaction rate on the particle surface. The effect of mechanical stress on electrochemical reaction results in a stress-dependent over-potential between particle and electrolyte. Stress gradient in an electrode leads to inhomogeneous intercalation/deintercalation currents for particles depending on their interaction stress with neighbors, resulting in stress gradient induced inhomogeneous state of charge. Conversely, non-uniform intercalation/deintercalation currents in an electrode lead to stress between particles. With this model we have an important finding: an electrochemically inactive region in an electrode causes stress built-up. This model provides a powerful tool to address various problems such as fracture in-between particles.

  15. The importance of coupled modelling of variably saturated groundwater flow-heat transport for assessing river-aquifer interactions

    Science.gov (United States)

    Engeler, I.; Hendricks Franssen, H. J.; Müller, R.; Stauffer, F.

    2011-02-01

    SummaryThis paper focuses on the role of heat transport in river-aquifer interactions for the study area Hardhof located in the Limmat valley within the city of Zurich (Switzerland). On site there are drinking water production facilities of Zurich water supply, which pump groundwater and infiltrate bank filtration water from river Limmat. The artificial recharge by basins and by wells creates a hydraulic barrier against the potentially contaminated groundwater flow from the city. A three-dimensional finite element model of the coupled variably saturated groundwater flow and heat transport was developed. The hydraulic conductivity of the aquifer and the leakage coefficient of the riverbed were calibrated for isothermal conditions by inverse modelling, using the pilot point method. River-aquifer interaction was modelled using a leakage concept. Coupling was considered by temperature-dependent values for hydraulic conductivity and for leakage coefficients. The quality of the coupled model was tested with the help of head and temperature measurements. Good correspondence between simulated and measured temperatures was found for the three pumping wells and seven piezometers. However, deviations were observed for one pumping well and two piezometers, which are situated in an area, where zones with important hydrogeological heterogeneity are expected. A comparison of simulation results with isothermal leakage coefficients with those of temperature-dependent leakage coefficients shows that the temperature dependence is able to reduce the head residuals close to the river by up to 30%. The largest improvements are found in the zone, where the river stage is considerably higher than the groundwater level, which is in correspondence with the expectations. Additional analyses also showed that the linear leakage concept cannot reproduce the seepage flux in a downstream section during flood events. It was found that infiltration is enhanced during flood events, which is

  16. Jet-Medium Interactions at NLO in a Weakly-Coupled Quark-Gluon Plasma

    CERN Document Server

    Ghiglieri, Jacopo; Teaney, Derek

    2015-01-01

    We present an extension to next-to-leading order in the strong coupling constant $g$ of the AMY effective kinetic approach to the energy loss of high momentum particles in the quark-gluon plasma. At leading order, the transport of jet-like particles is determined by elastic scattering with the thermal constituents, and by inelastic collinear splittings induced by the medium. We reorganize this description into collinear splittings, high-momentum-transfer scatterings, drag and diffusion, and particle conversions (momentum-preserving identity-changing processes). We show that this reorganized description remains valid to NLO in $g$, and compute the appropriate modifications of the drag, diffusion, particle conversion, and inelastic splitting coefficients. In addition, a new kinematic regime opens at NLO for wider-angle collinear bremsstrahlung. These semi-collinear emissions smoothly interpolate between the leading order high-momentum-transfer scatterings and collinear splittings. To organize the calculation, w...

  17. Effects of the Biot and the squirt-flow coupling interaction on anisotropic elastic waves

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Considering the velocity anisotropy of the solid/fluid relative motion and employment of the BISQ theory[1] based on the one-dimensional porous isotropic case, we establish a two-phase anisotropic elastic wave equation to simultaneously include the Biot and the squirt mechanisms in terms of both the basic principles of the fluid's mass conservation and the elastic-wave dynamical equations in the two-phase anisotropic rock. Numerical results, while the Biot-flow and the squirt-flow effects are simultaneously considered in the transversely isotropic (TI) poroelastic medium, show that the attenuation of the quasi P-wave and the quasi SV-wave strongly depend on the permeability anisotropy, and the attenuation behavior at low and high frequencies is contrary. Meanwhile, the attenuation and dispersion of the quasi P-wave are also affected seriously by the anisotropic solid/fluid coupling additional density.

  18. Interseismic Coupling Models and their interactions with the Sources of Large and Great Earthquakes

    Science.gov (United States)

    Chlieh, M.; Perfettini, H.; Avouac, J. P.

    2009-04-01

    Recent observations of heterogeneous strain build up reported from subduction zones and seismic sources of large and great interplate earthquakes indicate that seismic asperities are probably persistent features of the megathrust. The Peru Megathrust produce recurrently large seismic events like the 2001 Mw 8.4, Arequipa earthquake or the 2007 Mw 8.0, Pisco earthquake. The peruvian subduction zone provide an exceptional opportunity to understand the eventual relationship between interseismic coupling, large megathrust ruptures and the frictional properties of the megathrust. An emerging concept is a megathrust with strong locked fault patches surrounded by aseismic slip. The 2001, Mw 8.4 Arequipa earthquake ruptured only the northern portion of the patch that had ruptured already during the great 1868 Mw~8.8 earthquake and that had remained locked in the interseismic period. The 2007 Mw 8.0 Pisco earthquake ruptured the southern portion of the 1746 Mw~8.5 event. The moment released in 2007 amounts to only a small fraction of the deficit of moment that had accumulated since the 1746 great earthquake. Then, the potential for future large megathrust events in Central and Southern Peru area remains large. These recent earthquakes indicate that a same portion of a megathrust can rupture in different ways depending on whether asperities break as isolated events or jointly to produce a larger rupture. The spatial distribution of frictional properties of the megathrust could be the cause for a more complex earthquakes sequence from one seismic cycle to another. The subduction of geomorphologic structure like the Nazca ridge could be the cause for a lower coupling there.

  19. Modeling substrate-bacteria-grazer interactions coupled to substrate transport in groundwater

    Science.gov (United States)

    Bajracharya, Bijendra M.; Lu, Chuanhe; Cirpka, Olaf A.

    2014-05-01

    Models of microbial dynamics coupled to solute transport in aquifers typically require the introduction of a bacterial capacity term to prevent excessive microbial growth close to substrate-injection boundaries. The factors controlling this carrying capacity, however, are not fully understood. In this study, we propose that grazers or bacteriophages may control the density of bacterial biomass in continuously fed porous media. We conceptualize the flow-through porous medium as a series of retentostats, in which the dissolved substrate is advected with water flow whereas the biomasses of bacteria and grazers are considered essentially immobile. We first model a single retentostat with Monod kinetics of bacterial growth and a second-order grazing law, which shows that the system oscillates but approaches a stable steady state with nonzero concentrations of substrate, bacteria, and grazers. The steady state concentration of the bacteria biomass is independent of the substrate concentration in the inflow. When coupling several retentostats in a series to mimic a groundwater column, the steady state bacteria concentrations thus remain at a constant level over a significant travel distance. The one-dimensional reactive transport model also accounts for substrate dispersion and a random walk of grazers influenced by the bacteria concentration. These dispersive-diffusive terms affect the oscillations until steady state is reached, but hardly the steady state value itself. We conclude that grazing, or infection by bacteriophages, is a possible explanation of the maximum biomass concentration frequently needed in bioreactive transport models. Its value depends on parameters related to the grazers or bacteriophages and is independent of bacterial growth parameters or substrate concentration, provided that there is enough substrate to sustain bacteria and grazers.

  20. Immersed Boundary and VOF Coupling Method for Bubble-Particle Interaction Problems

    Science.gov (United States)

    Iwata, Ryuichi; Kajishima, Takeo; Takeuchi, Shintaro

    2008-11-01

    A new approach for the direct numerical simulation of three-phase flows is described. The method permits the simulation of the flow induced by a large population of bubbles and particles in a gas-liquid-solid system. Implementation of moving rigid surfaces is based on an immersed boundary method (IBM) of the body-force type, also developed by the present authors. In this method, the inter-phase momentum exchange is calculated by the distributed interaction force field shared by both the Eulerian (fluid) and Lagrangian (particles) frameworks. The gas-liquid interfaces are captured by the volume of fluid (VOF) method including surface tension. To assess its validity, the present method is applied to the piercing of the free surface of a liquid by a rising cylinder. Further applicability of the method is demonstrated in a 3-D situation, in which a rising bubble interacts with many settling particles.

  1. An inversion procedure for coupled-channel scattering: determining the deuteron-nucleus tensor interaction 21.30.-x; 13.75.Cs; 25.10.+s; Inverse scattering; Deuteron scattering; Nuclear tensor interaction; Tensor analysing power; Coupled channel inversion

    CERN Document Server

    Cooper, S G; MacKintosh, R S; Pomerantsev, V N

    2000-01-01

    A practical S-matrix to potential inversion procedure which applies to coupled-channel scattering is presented. The inversion technique is described in the context of the problem of determining a tensor interaction T sub R which exactly reproduces non-diagonal S sup J sub l sub l sub ' for spin one projectiles. It also applies to spin-((1)/(2)) plus spin-((1)/(2)) scattering. The method is a generalization of the iterative-perturbative, IP, method. In this paper, spin-1 IP inversion is tested and evaluated and the variation of the potential is investigated for cases where there is insufficient information to define the potential uniquely. Since T sub P interactions must be presumed to be present in many applications, we examine the potentials which result when the S-matrix is generated from a T sub P interaction. The spin-1 IP algorithm can be incorporated within a direct observable-to-potential inversion procedure to provide an efficient alternative to standard phenomenology. We evaluate its application to f...

  2. Modeling of Complex Coupled Fluid-Structure Interaction Systems in Arbitrary Water Depth

    Science.gov (United States)

    2009-01-01

    deterministic and stochastic environmental conditions from deep water to the surf zone. Physics- specific numerical models included in the framework...applicability of the computational framework to shallow water and the surf zone. APPROACH The approach to achieve the short term objectives is to...examples including: a pure CFD model with a backward facing step, a prescribed moving cylinder in a bounded domain, and a fluid-object interaction

  3. An Efficient Seismic Analysis Procedure for Torsionally Coupled Multistory Buildings Including Soil-Structure Interaction

    OpenAIRE

    ÇELEBİ, Erkan

    2014-01-01

    In this paper, a simplified methodology of analysis for the seismic response of 3-dimensional irregular high-rise buildings on a rigid footing resting on the surface of a linear elastic half-space is formulated. An efficient method using modal decomposition and carried out in the frequency domain by using the fast Fourier transform to obtain the structural response of torsionally asymmetric buildings, including soil-structure interaction effects, is presented. Applying this algorithm...

  4. Randomly organized lipids and marginally stable proteins: a coupling of weak interactions to optimize membrane signaling.

    Science.gov (United States)

    Rice, Anne M; Mahling, Ryan; Fealey, Michael E; Rannikko, Anika; Dunleavy, Katie; Hendrickson, Troy; Lohese, K Jean; Kruggel, Spencer; Heiling, Hillary; Harren, Daniel; Sutton, R Bryan; Pastor, John; Hinderliter, Anne

    2014-09-01

    Eukaryotic lipids in a bilayer are dominated by weak cooperative interactions. These interactions impart highly dynamic and pliable properties to the membrane. C2 domain-containing proteins in the membrane also interact weakly and cooperatively giving rise to a high degree of conformational plasticity. We propose that this feature of weak energetics and plasticity shared by lipids and C2 domain-containing proteins enhance a cell's ability to transduce information across the membrane. We explored this hypothesis using information theory to assess the information storage capacity of model and mast cell membranes, as well as differential scanning calorimetry, carboxyfluorescein release assays, and tryptophan fluorescence to assess protein and membrane stability. The distribution of lipids in mast cell membranes encoded 5.6-5.8bits of information. More information resided in the acyl chains than the head groups and in the inner leaflet of the plasma membrane than the outer leaflet. When the lipid composition and information content of model membranes were varied, the associated C2 domains underwent large changes in stability and denaturation profile. The C2 domain-containing proteins are therefore acutely sensitive to the composition and information content of their associated lipids. Together, these findings suggest that the maximum flow of signaling information through the membrane and into the cell is optimized by the cooperation of near-random distributions of membrane lipids and proteins. This article is part of a Special Issue entitled: Interfacially Active Peptides and Proteins. Guest Editors: William C. Wimley and Kalina Hristova.

  5. Modelling soil-plant-atmosphere interactions by coupling the regional weather model WRF to mechanistic plant models

    Science.gov (United States)

    Klein, C.; Hoffmann, P.; Priesack, E.

    2012-04-01

    Climate change causes altering distributions of meteorological factors influencing plant growth and its interactions between the land surface and the atmosphere. Recent studies show, that uncertainties in regional and global climate simulations are also caused by lacking descriptions of the soil-plant-atmosphere system. Therefore, we couple a mechanistic soil-plant model to a regional climate and forecast model. The detailed simulation of the water and energy exchanges, especially the transpiration of grassland and forests stands, are the key features of the modelling framework. The Weather Research and Forecasting model (WRF) (Skamarock 2008) is an open source mesoscale numerical weather prediction model. The WRF model was modified in a way, to either choose its native, static land surface model NOAH or the mechanistic eco-system model Expert-N 5.0 individually for every single grid point within the simulation domain. The Expert-N 5.0 modelling framework provides a highly modular structure, enabling the development and use of a large variety of different plant and soil models, including heat transfer, nitrogen uptake/turnover/transport as well as water uptake/transport and crop management. To represent the key landuse types grassland and forest, we selected two mechanistic plant models: The Hurley Pasture model (Thornley 1998) and a modified TREEDYN3 forest simulation model (Bossel 1996). The models simulate plant growth, water, nitrogen and carbon flows for grassland and forest stands. A mosaic approach enables Expert-N to use high resolution land use data e.g. CORINE Land Cover data (CLC, 2006) for the simulation, making it possible to simulate different land use distributions within a single grid cell. The coupling results are analyzed for plausibility and compared with the results of the default land surface model NOAH (Fei Chen and Jimy Dudhia 2010). We show differences between the mechanistic and the static model coupling, with focus on the feedback effects

  6. Theory of coupled electromagnetic circuits, the connection to quantum mechanical resonance interactions and relevance to chronobiology

    CERN Document Server

    Ulmer, W; Halberg, F; Schwarzkopff, O

    2011-01-01

    The existence of specific biorhythms and the role of geomagnetic and/or solar magnetic activities are well-established by appropriate correlations in chronobiology. From a physical viewpoint, there are two different accesses to biorhythms to set up connections to molecular processes: 1. Diffusion of charged molecules in magnetic fields. 2. Quantum mechanical perturbation theoretical methods and their resonance dominators to characterize specific interactions between constituents. The methods of point 2 permit the treatment of molecular processes by circuits with characteristic resonances and 'beat-frequencies', which result from the primarily fast physical processes. As examples the tunneling processes between DNA base pairs (H bonds) and the ATP decomposition are considered.

  7. A energy-based interaction model for population opinion dynamics with topic coupling

    CERN Document Server

    Noorazar, Hossein; Vixie, Kevin R

    2016-01-01

    This article studies the opinion game dynamic from mathematical ground, the way people learn and consequently change their opinion towards or against a cause. The evolution of opinions are modeled by single interaction between two individuals and is determined by potential functions. Moreover, we model the case in which there are several topics being discussed in the system where topics are related and the opinion about one topic can change in response to change of that of another topic. Building the evolution based on mathematical ground gives the advantage of robust analysis of dynamics, getting connection between model structure and statistical properties, rather than statistical simulation based investigations.

  8. Relaxation of strongly coupled Coulomb systems after rapid changes of the interaction potential

    CERN Document Server

    Gericke, D O; Semkat, D; Bonitz, M; Kremp, D

    2003-01-01

    The relaxation of charged particle systems after sudden changes of the pair interaction strength is investigated. As examples, we show the results for plasmas after ionization and after a rapid change of screening. Comparisons are made between molecular dynamics simulation and a kinetic description based on the Kadanoff-Baym equations. We found the latter very sensitive to the way the scattering cross section is treated. We also predict the new equilibrium state requiring only conservation of energy. In this case, the correlation energy is computed using the hypernetted chain approximation.

  9. Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jason S. [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Department of Chemical and Biomolecular Engineering, University of California, Berkeley CA 94720 USA; Vlaisavljevich, Bess [Department of Chemical and Biomolecular Engineering, University of California, Berkeley CA 94720 USA; Britt, David K. [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Brown, Craig M. [National Institute of Standards and Technology, Center for Neutron Research, Gaithersburg MD 20899 USA; Department of Chemical Engineering, University of Delaware, Newark DE 19716 USA; Haranczyk, Maciej [Computational Research Division Lawrence, Berkeley National Laboratory, Berkeley CA 94720 USA; Neaton, Jeffrey B. [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Department of Physics, University of California, Berkeley CA 94720 USA; Smit, Berend [Department of Chemical and Biomolecular Engineering, University of California, Berkeley CA 94720 USA; Department Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 CH Lausanne Switzerland; Long, Jeffrey R. [Department of Chemistry, University of California, Berkeley CA 94720 USA; Division of Materials Sciences, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Queen, Wendy L. [The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Department Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 CH Lausanne Switzerland

    2015-05-28

    Metal–organic frameworks (MOFs) have gained much attention as next-generation porous media for various applications, especially gas separation/storage, and catalysis. New MOFs are regularly reported; however, to develop better materials in a timely manner for specific applications, the interactions between guest molecules and the internal surface of the framework must first be understood. A combined experimental and theoretical approach is presented, which proves essential for the elucidation of small-molecule interactions in a model MOF system known as M2(dobdc) (dobdc4- = 2,5-dioxido-1,4-benzenedicarboxylate; M = Mg, Mn, Fe, Co, Ni, Cu, or Zn), a material whose adsorption properties can be readily tuned via chemical substitution. It is additionally shown that the study of extensive families like this one can provide a platform to test the efficacy and accuracy of developing computational methodologies in slightly varying chemical environments, a task that is necessary for their evolution into viable, robust tools for screening large numbers of materials.

  10. Fluid and structure coupling analysis of the interaction between aqueous humor and iris.

    Science.gov (United States)

    Wang, Wenjia; Qian, Xiuqing; Song, Hongfang; Zhang, Mindi; Liu, Zhicheng

    2016-12-28

    Glaucoma is the primary cause of irreversible blindness worldwide associated with high intraocular pressure (IOP). Elevated intraocular pressure will affect the normal aqueous humor outflow, resulting in deformation of iris. However, the deformation ability of iris is closely related to its material properties. Meanwhile, the passive deformation of the iris aggravates the pupillary block and angle closure. The nature of the interaction mechanism of iris deformation and aqueous humor fluid flow has not been fully understood and has been somewhat a controversial issue. The purpose here was to study the effect of IOP, localization, and temperature on the flow of the aqueous humor and the deformation of iris interacted by aqueous humor fluid flow. Based on mechanisms of aqueous physiology and fluid dynamics, 3D model of anterior chamber (AC) was constructed with the human anatomical parameters as a reference. A 3D idealized standard geometry of anterior segment of human eye was performed. Enlarge the size of the idealization geometry model 5 times to create a simulation device by using 3D printing technology. In this paper, particle image velocimetry technology is applied to measure the characteristic of fluid outflow in different inlet velocity based on the device. Numerically calculations were made by using ANSYS 14.0 Finite Element Analysis. Compare of the velocity distributions to confirm the validity of the model. The fluid structure interaction (FSI) analysis was carried out in the valid geometry model to study the aqueous flow and iris change. In this paper, the validity of the model is verified through computation and comparison. The results indicated that changes of gravity direction of model significantly affected the fluid dynamics parameters and the temperature distribution in anterior chamber. Increased pressure and the vertical position increase the velocity of the aqueous humor fluid flow, with the value increased of 0.015 and 0.035 mm/s. The results

  11. Strongly coupled interaction between a ridge of fluid and an inviscid airflow

    KAUST Repository

    Paterson, C.

    2015-07-01

    © 2015 AIP Publishing LLC. The behaviour of a steady thin sessile or pendent ridge of fluid on an inclined planar substrate which is strongly coupled to the external pressure gradient arising from an inviscid airflow parallel to the substrate far from the ridge is described. When the substrate is nearly horizontal, a very wide ridge can be supported against gravity by capillary and/or external pressure forces; otherwise, only a narrower (but still wide) ridge can be supported. Classical thin-aerofoil theory is adapted to obtain the governing singular integro-differential equation for the profile of the ridge in each case. Attention is focused mainly on the case of a very wide sessile ridge. The effect of strengthening the airflow is to push a pinned ridge down near to its edges and to pull it up near to its middle. At a critical airflow strength, the upslope contact angle reaches the receding contact angle at which the upslope contact line de-pins, and continuing to increase the airflow strength beyond this critical value results in the de-pinned ridge becoming narrower, thicker, and closer to being symmetric in the limit of a strong airflow. The effect of tilting the substrate is to skew a pinned ridge in the downslope direction. Depending on the values of the advancing and receding contact angles, the ridge may first de-pin at either the upslope or the downslope contact line but, in general, eventually both contact lines de-pin. The special cases in which only one of the contact lines de-pins are also considered. It is also shown that the behaviour of a very wide pendent ridge is qualitatively similar to that of a very wide sessile ridge, while the important qualitative difference between the behaviour of a very wide ridge and a narrower ridge is that, in general, for the latter one or both of the contact lines may never de-pin.

  12. Interactions Between the Thermohaline Circulation and Tropical Atlantic SST in a Coupled General Circulation Model

    Science.gov (United States)

    Miller, Ron; Jiang, Xing-Jian; Travis, Larry (Technical Monitor)

    2001-01-01

    Tropical Atlantic SST shows a (statistically well-defined) decadal time scale in a 104-year simulation of unforced variability by a coupled general circulation model (CGCM). The SST anomalies superficially resemble observed Tropical Atlantic variability (TAV), and are associated with changes in the atmospheric circulation. Brazilian rainfall is modulated with a decadal time scale, along with the strength of the Atlantic trade winds, which are associated with variations in evaporation and the net surface heat flux. However, in contrast to observed tropical Atlantic variability, the trade winds damp the associated anomalies in ocean temperature, indicating a negative feedback. Tropical SST anomalies in the CGCM, though opposed by the surface heat flux, are advected in from the Southern Hemisphere mid-latitudes. These variations modulate the strength of the thermohaline circulation (THC): warm, salty anomalies at the equator sink drawing cold, fresh mid-latitude water. Upon reaching the equator, the latter inhibit vertical overturning and advection from higher latitudes, which allows warm, salty anomalies to reform, returning the cycle to its original state. Thus, the cycle results from advection of density anomalies and the effect of these anomalies upon the rate of vertical overturning and surface advection. This decadal modulation of Tropical Atlantic SST and the thermohaline circulation is correlated with ocean heat transport to the Northern Hemisphere high latitudes and Norwegian Sea SST. Because of the central role of equatorial convection, we question whether this mechanism is present in the current climate, although we speculate that it may have operated in palaeo times, depending upon the stability of the tropical water column.

  13. Coupled interactions between volatile activity and Fe oxidation state during arc crustal processes

    Science.gov (United States)

    Humphreys, Madeleine C.S.; Brooker, R; Fraser, D.C.; Burgisser, A; Mangan, Margaret T.; McCammon, C

    2015-01-01

    Arc magmas erupted at the Earth’s surface are commonly more oxidized than those produced at mid-ocean ridges. Possible explanations for this high oxidation state are that the transfer of fluids during the subduction process results in direct oxidation of the sub-arc mantle wedge, or that oxidation is caused by the effect of later crustal processes, including protracted fractionation and degassing of volatile-rich magmas. This study sets out to investigate the effect of disequilibrium crustal processes that may involve coupled changes in H2O content and Fe oxidation state, by examining the degassing and hydration of sulphur-free rhyolites. We show that experimentally hydrated melts record strong increases in Fe3+/∑Fe with increasing H2O concentration as a result of changes in water activity. This is relevant for the passage of H2O-undersaturated melts from the deep crust towards shallow crustal storage regions, and raises the possibility that vertical variations in fO2 might develop within arc crust. Conversely, degassing experiments produce an increase in Fe3+/∑Fe with decreasing H2O concentration. In this case the oxidation is explained by loss of H2 as well as H2O into bubbles during decompression, consistent with thermodynamic modelling, and is relevant for magmas undergoing shallow degassing en route to the surface. We discuss these results in the context of the possible controls on fO2 during the generation, storage and ascent of magmas in arc settings, in particular considering the timescales of equilibration relative to observation as this affects the quality of the petrological record of magmatic fO2.

  14. Strongly coupled interaction between a ridge of fluid and an inviscid airflow

    Science.gov (United States)

    Paterson, C.; Wilson, S. K.; Duffy, B. R.

    2015-07-01

    The behaviour of a steady thin sessile or pendent ridge of fluid on an inclined planar substrate which is strongly coupled to the external pressure gradient arising from an inviscid airflow parallel to the substrate far from the ridge is described. When the substrate is nearly horizontal, a very wide ridge can be supported against gravity by capillary and/or external pressure forces; otherwise, only a narrower (but still wide) ridge can be supported. Classical thin-aerofoil theory is adapted to obtain the governing singular integro-differential equation for the profile of the ridge in each case. Attention is focused mainly on the case of a very wide sessile ridge. The effect of strengthening the airflow is to push a pinned ridge down near to its edges and to pull it up near to its middle. At a critical airflow strength, the upslope contact angle reaches the receding contact angle at which the upslope contact line de-pins, and continuing to increase the airflow strength beyond this critical value results in the de-pinned ridge becoming narrower, thicker, and closer to being symmetric in the limit of a strong airflow. The effect of tilting the substrate is to skew a pinned ridge in the downslope direction. Depending on the values of the advancing and receding contact angles, the ridge may first de-pin at either the upslope or the downslope contact line but, in general, eventually both contact lines de-pin. The special cases in which only one of the contact lines de-pins are also considered. It is also shown that the behaviour of a very wide pendent ridge is qualitatively similar to that of a very wide sessile ridge, while the important qualitative difference between the behaviour of a very wide ridge and a narrower ridge is that, in general, for the latter one or both of the contact lines may never de-pin.

  15. Massive higher spin fields coupled to a scalar: Aspects of interaction and causality

    Energy Technology Data Exchange (ETDEWEB)

    Buchbinder, I.L., E-mail: joseph@tspu.edu.ru [Department of Theoretical Physics, Tomsk State Pedagogical University, Tomsk, 634061 (Russian Federation); Dempster, P., E-mail: paul.dempster@liv.ac.uk [Department of Mathematical Sciences, University of Liverpool, Liverpool, L69 7ZL (United Kingdom); Tsulaia, M., E-mail: mirian.tsulaia@canberra.edu.au [Faculty of Education Science Technology and Mathematics, University of Canberra, Bruce ACT 2617 (Australia)

    2013-12-11

    We consider in detail the most general cubic Lagrangian which describes an interaction between two identical higher spin fields in a triplet formulation with a scalar field, all fields having the same values of the mass. After performing the gauge fixing procedure we find that for the case of massive fields the gauge invariance does not guarantee the preservation of the correct number of propagating physical degrees of freedom. In order to get the correct number of degrees of freedom for the massive higher spin field one should impose some additional conditions on parameters of the vertex. Further independent constraints are provided by the causality analysis, indicating that the requirement of causality should be imposed in addition to the requirement of gauge invariance in order to have a consistent propagation of massive higher spin fields.

  16. Sterile neutrino dark matter: A tale of weak interactions in the strong coupling epoch

    CERN Document Server

    Venumadhav, Tejaswi; Abazajian, Kevork N; Hirata, Christopher M

    2015-01-01

    We perform a detailed study of the weak interactions of standard model neutrinos with the primordial plasma and their effect on the resonant production of sterile neutrino dark matter. Motivated by issues in cosmological structure formation on small scales, and reported X-ray signals that could be due to sterile neutrino decay, we consider $7$ keV-scale sterile neutrinos. Oscillation-driven production of such sterile neutrinos occurs at temperatures $T \\gtrsim 100$ MeV, where we study two significant effects of weakly charged species in the primordial plasma: (1) the redistribution of an input lepton asymmetry; (2) the opacity for active neutrinos. We calculate the redistribution analytically above and below the quark-hadron transition, and match with lattice QCD calculations through the transition. We estimate opacities due to tree level processes involving leptons and quarks above the quark-hadron transition, and the most important mesons below the transition. We report final sterile neutrino dark matter ph...

  17. Interaction of structure-specific and promiscuous G-protein-coupled receptors mediates small-molecule signaling in Caenorhabditis elegans.

    Science.gov (United States)

    Park, Donha; O'Doherty, Inish; Somvanshi, Rishi K; Bethke, Axel; Schroeder, Frank C; Kumar, Ujendra; Riddle, Donald L

    2012-06-19

    A chemically diverse family of small-molecule signals, the ascarosides, control developmental diapause (dauer), olfactory learning, and social behaviors of the nematode model organism, Caenorhabditis elegans. The ascarosides act upstream of conserved signaling pathways, including the insulin, TGF-β, serotonin, and guanylyl cyclase pathways; however, the sensory processes underlying ascaroside function are poorly understood. Because ascarosides often are multifunctional and show strongly synergistic effects, characterization of their receptors will be essential for understanding ascaroside biology and may provide insight into molecular mechanisms that produce synergistic outcomes in small-molecule sensing. Based on DAF-8 immunoprecipitation, we here identify two G-protein-coupled receptors, DAF-37 and DAF-38, which cooperatively mediate ascaroside perception. daf-37 mutants are defective in all responses to ascr#2, one of the most potent dauer-inducing ascarosides, although this mutant responds normally to other ascarosides. In contrast, daf-38 mutants are partially defective in responses to several different ascarosides. Through cell-specific overexpression, we show that DAF-37 regulates dauer when expressed in ASI neurons and adult behavior when expressed in ASK neurons. Using a photoaffinity-labeled ascr#2 probe and amplified luminescence assays (AlphaScreen), we demonstrate that ascr#2 binds to DAF-37. Photobleaching fluorescent energy transfer assays revealed that DAF-37 and DAF-38 form heterodimers, and we show that heterodimerization strongly increases cAMP inhibition in response to ascr#2. These results suggest that that the ascarosides' intricate signaling properties result in part from the interaction of highly structure-specific G-protein-coupled receptors such as DAF-37 with more promiscuous G-protein-coupled receptors such as DAF-38.

  18. Interaction of structure-specific and promiscuous G-protein–coupled receptors mediates small-molecule signaling in Caenorhabditis elegans

    Science.gov (United States)

    Park, Donha; O'Doherty, Inish; Somvanshi, Rishi K.; Bethke, Axel; Schroeder, Frank C.; Kumar, Ujendra; Riddle, Donald L.

    2012-01-01

    A chemically diverse family of small-molecule signals, the ascarosides, control developmental diapause (dauer), olfactory learning, and social behaviors of the nematode model organism, Caenorhabditis elegans. The ascarosides act upstream of conserved signaling pathways, including the insulin, TGF-β, serotonin, and guanylyl cyclase pathways; however, the sensory processes underlying ascaroside function are poorly understood. Because ascarosides often are multifunctional and show strongly synergistic effects, characterization of their receptors will be essential for understanding ascaroside biology and may provide insight into molecular mechanisms that produce synergistic outcomes in small-molecule sensing. Based on DAF-8 immunoprecipitation, we here identify two G-protein–coupled receptors, DAF-37 and DAF-38, which cooperatively mediate ascaroside perception. daf-37 mutants are defective in all responses to ascr#2, one of the most potent dauer-inducing ascarosides, although this mutant responds normally to other ascarosides. In contrast, daf-38 mutants are partially defective in responses to several different ascarosides. Through cell-specific overexpression, we show that DAF-37 regulates dauer when expressed in ASI neurons and adult behavior when expressed in ASK neurons. Using a photoaffinity-labeled ascr#2 probe and amplified luminescence assays (AlphaScreen), we demonstrate that ascr#2 binds to DAF-37. Photobleaching fluorescent energy transfer assays revealed that DAF-37 and DAF-38 form heterodimers, and we show that heterodimerization strongly increases cAMP inhibition in response to ascr#2. These results suggest that that the ascarosides' intricate signaling properties result in part from the interaction of highly structure-specific G-protein–coupled receptors such as DAF-37 with more promiscuous G-protein–coupled receptors such as DAF-38. PMID:22665789

  19. Synthesis of some three-qubit gates and their implementation in a three spins system coupled with Ising interaction

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The synthesis of the Toffoli gate, Fredkin gate, three-qubit Inversion-on-equality gate and D(α) gate, as well as their implementation in a three spins system coupled with Ising interaction are investigated. The sequences of the control pulse and the drift process to implement these gates are given. It is revealed that the implementation of some three-qubit gates in a circular spin chain is much better than in a linear spin chain, and every two measurements of the quantum computation complexity are not always consistent. It is significant to directly study the implementation of the multi-qubit gates and even more complicated components of quantum information processing without resorting to their synthesis.

  20. Bonding Characteristics and Magnetic Coupling Interactions in One-dimensional a'-NaV2O5

    Institute of Scientific and Technical Information of China (English)

    FAN Hou-gang; MING Xing; HU Fang; WANG Chun-zhong; HUANG Zu-fei; CHEN Gang

    2009-01-01

    The spin-polarized generalized gradient approximation(GGA)+U approach was employed to study the bonding characteristics and magnetic coupling interactions in room-temperature phase α'-NaV2O5.The calculated results indicate that the Vdxy orbital is split off from other 3d orbitals in the VO5 pyramidal ligand field.The Vdxy orbitads are hybridized strongly with the Opx/py orbitals,forming a V-O-V π bond in the ab plane.The ligand field effect together with the intra-atomic exchange splitting results in the insulating behavior.With the aid of Noodleman's broken symmetry methods,the magnetic exchange constant was derived from mapping the relative energies onto the Heisenberg model.The antiferromagnetic(AFM) exchange energy,J,along the chain was calculated to be-593 K in good agreement with the experimental data.

  1. Optical properties of azobenzene-functionalized self-assembled monolayers: Intermolecular coupling and many-body interactions

    Science.gov (United States)

    Cocchi, Caterina; Moldt, Thomas; Gahl, Cornelius; Weinelt, Martin; Draxl, Claudia

    2016-12-01

    In a joint theoretical and experimental work, the optical properties of azobenzene-functionalized self-assembled monolayers (SAMs) are studied at different molecular packing densities. Our results, based on density-functional and many-body perturbation theory, as well as on differential reflectance (DR) spectroscopy, shed light on the microscopic mechanisms ruling photo-absorption in these systems. While the optical excitations are intrinsically excitonic in nature, regardless of the molecular concentration, in densely packed SAMs intermolecular coupling and local-field effects are responsible for a sizable weakening of the exciton binding strength. Through a detailed analysis of the character of the electron-hole pairs, we show that distinct excitations involved in the photo-isomerization at low molecular concentrations are dramatically broadened by intermolecular interactions. Spectral shifts in the calculated DR spectra are in good agreement with the experimental results. Our findings represent an important step forward to rationalize the excited-state properties of these complex materials.

  2. Relativistic configuration interaction plus linearized-coupled-cluster calculations of U2 + energies, g factors, transition rates, and lifetimes

    Science.gov (United States)

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

    2015-11-01

    Excitation energies, term designations, g factors, transition rates, and lifetimes of U2 + are determined using a relativistic configuration interaction (CI) + linearized-coupled-cluster (LCC) approach. The CI-LCC energies are compared with CI + many-body-perturbation-theory (MBPT) and available experimental energies. Close agreement has been found with experiment, within hundreds of cm-1. In addition, lifetimes of higher levels have been calculated for comparison with three experimentally measured lifetimes, and close agreement has been found within the experimental error. CI-LCC calculations constitute a benchmark test of the CI + all-order method in complex relativistic systems such as actinides and their ions with many valence electrons. The theory yields many energy levels, g factors, transition rates, and lifetimes of U2 + that are not available from experiment. The theory can be applied to other multivalence atoms and ions, which would be of interest to many applications.

  3. Fast quantification of endogenous carbohydrates in plasma using hydrophilic interaction liquid chromatography coupled with tandem mass spectrometry.

    Science.gov (United States)

    Zhu, Bangjie; Liu, Feng; Li, Xituo; Wang, Yan; Gu, Xue; Dai, Jieyu; Wang, Guiming; Cheng, Yu; Yan, Chao

    2015-01-01

    Endogenous carbohydrates in biosamples are frequently highlighted as the most differential metabolites in many metabolomics studies. A simple, fast, simultaneous quantitative method for 16 endogenous carbohydrates in plasma has been developed using hydrophilic interaction liquid chromatography coupled with tandem mass spectrometry. In order to quantify 16 endogenous carbohydrates in plasma, various conditions, including columns, chromatographic conditions, mass spectrometry conditions, and plasma preparation methods, were investigated. Different conditions in this quantified analysis were performed and optimized. The reproducibility, precision, recovery, matrix effect, and stability of the method were verified. The results indicated that a methanol/acetonitrile (50:50, v/v) mixture could effectively and reproducibly precipitate rat plasma proteins. Cold organic solvents coupled with vortex for 1 min and incubated at -20°C for 20 min were the most optimal conditions for protein precipitation and extraction. The results, according to the linearity, recovery, precision, matrix effect, and stability, showed that the method was satisfactory in the quantification of endogenous carbohydrates in rat plasma. The quantified analysis of endogenous carbohydrates in rat plasma performed excellently in terms of sensitivity, high throughput, and simple sample preparation, which met the requirement of quantification in specific expanded metabolomic studies after the global metabolic profiling research.

  4. Novel application of fluorescence coupled capillary electrophoresis to resolve the interaction between the G-quadruplex aptamer and thrombin.

    Science.gov (United States)

    Wang, Jianhao; Gu, Yaqin; Liu, Li; Wang, Cheli; Wang, Jianpeng; Ding, Shumin; Li, Jinping; Qiu, Lin; Jiang, Pengju

    2017-08-01

    The dynamic binding status between the thrombin and its G-quadruplex aptamers and the stability of its interaction partners were probed using our previously established fluorescence-coupled capillary electrophoresis method. A 29-nucleic acid thrombin binding aptamer was chosen as a model to study its binding affinity with the thrombin ligand. First, the effects of the cations on the formation of G-quadruplex from unstructured 29-nucleic acid thrombin binding aptamer were examined. Second, the rapid binding kinetics between the thrombin and 6-carboxyfluorescein labeled G-quadruplex aptamer was measured. Third, the stability of G-quadruplex aptamer-thrombin complex was also examined in the presence of the interfering species. Remarkably, it was found that the complementary strand of 29-nucleic acid thrombin binding aptamer could compete with G-quadruplex aptamer and thus disassociated the G-quadruplex structure into an unstructured aptamer. These data suggest that our in-house established fluorescence-coupled capillary electrophoresis assay could be applied to binding studies of the G-quadruplex aptamers, thrombin, and their ligands, while overcoming the complicated and costly approaches currently available. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Desert dust and anthropogenic aerosol interactions in the Community Climate System Model coupled-carbon-climate model

    Directory of Open Access Journals (Sweden)

    N. Mahowald

    2011-02-01

    Full Text Available Coupled-carbon-climate simulations are an essential tool for predicting the impact of human activity onto the climate and biogeochemistry. Here we incorporate prognostic desert dust and anthropogenic aerosols into the CCSM3.1 coupled carbon-climate model and explore the resulting interactions with climate and biogeochemical dynamics through a series of transient anthropogenic simulations (20th and 21st centuries and sensitivity studies. The inclusion of prognostic aerosols into this model has a small net global cooling effect on climate but does not significantly impact the globally averaged carbon cycle; we argue that this is likely to be because the CCSM3.1 model has a small climate feedback onto the carbon cycle. We propose a mechanism for including desert dust and anthropogenic aerosols into a simple carbon-climate feedback analysis to explain the results of our and previous studies. Inclusion of aerosols has statistically significant impacts on regional climate and biogeochemistry, in particular through the effects on the ocean nitrogen cycle and primary productivity of altered iron inputs from desert dust deposition.

  6. Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains

    Science.gov (United States)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2016-12-01

    The key role of small-scale processes like molecular diffusion and electrochemical migration has been increasingly recognized in multicomponent reactive transport in saturated porous media. In this study, we propose a two-dimensional multicomponent reactive transport model taking into account the electrostatic interactions during transport of charged ions in physically and chemically heterogeneous porous media. The modeling approach is based on the local charge balance and on the description of compound-specific and spatially variable diffusive/dispersive fluxes. The multicomponent ionic transport code is coupled with the geochemical code PHREEQC-3 by utilizing the IPhreeqc module, thus enabling to perform the geochemical calculations included in the PHREEQC's reaction package. The multicomponent reactive transport code is benchmarked with different 1-D and 2-D transport problems. Successively, conservative and reactive transport examples are presented to demonstrate the capability of the proposed model to simulate transport of charged species in heterogeneous porous media with spatially variable physical and chemical properties. The results reveal that the Coulombic cross-coupling between dispersive fluxes can significantly influence conservative as well as reactive transport of charged species both at the laboratory and at the field scale.

  7. Scales of benthic–pelagic coupling and the intensity of species interactions: From recruitment limitation to top-down control

    Science.gov (United States)

    Navarrete, Sergio A.; Wieters, Evie A.; Broitman, Bernardo R.; Castilla, Juan Carlos

    2005-01-01

    Large and usually unpredictable variation in species interaction strength has been a major roadblock to applying local experimental results to large-scale management and conservation issues. Recent studies explicitly considering benthic-pelagic coupling are starting to shed light on, and find regularities in, the causes of such large-scale variation in coastal ecosystems. Here, we evaluate the effects of variation in wind-driven upwelling on community regulation along 900 km of coastline of the southeastern Pacific, between 29°S and 35°S during 72 months. Variability in the intensity of upwelling occurring over tens of km produced predictable variation in recruitment of intertidal mussels, but not barnacles, and did not affect patterns of community structure. In contrast, sharp discontinuities in upwelling regimes produced abrupt and persistent breaks in the dynamics of benthic and pelagic communities over hundreds of km (regional) scales. Rates of mussel and barnacle recruitment changed sharply at ≈32°-33°S, determining a geographic break in adult abundance of these competitively dominant species. Analysis of satellite images demonstrates that regional-scale discontinuities in oceanographic regimes can couple benthic and pelagic systems, as evidenced by coincident breaks in dynamics and concentration of offshore surface chlorophyll-a. Field experiments showed that the paradigm of top-down control of intertidal benthic communities holds only south of the discontinuity. To the north, populations seem recruitment-limited, and predators have negligible effects, despite attaining similarly high abundances and potential predation effects across the region. Thus, geographically discontinuous oceanographic regimes set bounds to the strength of species interactions and define distinct regions for the design and implementation of sustainable management and conservation policies. PMID:16332959

  8. Scales of benthic-pelagic coupling and the intensity of species interactions: from recruitment limitation to top-down control.

    Science.gov (United States)

    Navarrete, Sergio A; Wieters, Evie A; Broitman, Bernardo R; Castilla, Juan Carlos

    2005-12-13

    Large and usually unpredictable variation in species interaction strength has been a major roadblock to applying local experimental results to large-scale management and conservation issues. Recent studies explicitly considering benthic-pelagic coupling are starting to shed light on, and find regularities in, the causes of such large-scale variation in coastal ecosystems. Here, we evaluate the effects of variation in wind-driven upwelling on community regulation along 900 km of coastline of the southeastern Pacific, between 29 degrees S and 35 degrees S during 72 months. Variability in the intensity of upwelling occurring over tens of km produced predictable variation in recruitment of intertidal mussels, but not barnacles, and did not affect patterns of community structure. In contrast, sharp discontinuities in upwelling regimes produced abrupt and persistent breaks in the dynamics of benthic and pelagic communities over hundreds of km (regional) scales. Rates of mussel and barnacle recruitment changed sharply at approximately 32 degrees -33 degrees S, determining a geographic break in adult abundance of these competitively dominant species. Analysis of satellite images demonstrates that regional-scale discontinuities in oceanographic regimes can couple benthic and pelagic systems, as evidenced by coincident breaks in dynamics and concentration of offshore surface chlorophyll-a. Field experiments showed that the paradigm of top-down control of intertidal benthic communities holds only south of the discontinuity. To the north, populations seem recruitment-limited, and predators have negligible effects, despite attaining similarly high abundances and potential predation effects across the region. Thus, geographically discontinuous oceanographic regimes set bounds to the strength of species interactions and define distinct regions for the design and implementation of sustainable management and conservation policies.

  9. Pancreatic Beta Cell G-Protein Coupled Receptors and Second Messenger Interactions: A Systems Biology Computational Analysis.

    Science.gov (United States)

    Fridlyand, Leonid E; Philipson, Louis H

    2016-01-01

    Insulin secretory in pancreatic beta-cells responses to nutrient stimuli and hormonal modulators include multiple messengers and signaling pathways with complex interdependencies. Here we present a computational model that incorporates recent data on glucose metabolism, plasma membrane potential, G-protein-coupled-receptors (GPCR), cytoplasmic and endoplasmic reticulum calcium dynamics, cAMP and phospholipase C pathways that regulate interactions between second messengers in pancreatic beta-cells. The values of key model parameters were inferred from published experimental data. The model gives a reasonable fit to important aspects of experimentally measured metabolic and second messenger concentrations and provides a framework for analyzing the role of metabolic, hormones and neurotransmitters changes on insulin secretion. Our analysis of the dynamic data provides support for the hypothesis that activation of Ca2+-dependent adenylyl cyclases play a critical role in modulating the effects of glucagon-like peptide 1 (GLP-1), glucose-dependent insulinotropic polypeptide (GIP) and catecholamines. The regulatory properties of adenylyl cyclase isoforms determine fluctuations in cytoplasmic cAMP concentration and reveal a synergistic action of glucose, GLP-1 and GIP on insulin secretion. On the other hand, the regulatory properties of phospholipase C isoforms determine the interaction of glucose, acetylcholine and free fatty acids (FFA) (that act through the FFA receptors) on insulin secretion. We found that a combination of GPCR agonists activating different messenger pathways can stimulate insulin secretion more effectively than a combination of GPCR agonists for a single pathway. This analysis also suggests that the activators of GLP-1, GIP and FFA receptors may have a relatively low risk of hypoglycemia in fasting conditions whereas an activator of muscarinic receptors can increase this risk. This computational analysis demonstrates that study of second messenger

  10. A Comparison of Interactively Coupled Paleoclimate-Vegetation Models With the Vegetation Record

    Science.gov (United States)

    Batra, P.; Pollard, D.; Barron, E.

    2001-05-01

    Climate-vegetation interactions are a key ingredient in understanding Earth system history. Vegetation models used to explore past climate and past vegetation distributions are largely based on modern plant-climate relationships. This study explores the application of four such models, each built upon different assumptions and parameters, and determines how well each model reproduces past records. In addition, this approach enables an exploration of the potential influence of vegetation on paleoclimates. The four vegetation models (the BIOME 3.5 model of Haxeltine and Prentice (1996), the simple dynamic vegetation model of Cosgrove (1998), the EVE model of Bergengren et al. (2001) and the IBIS model of Foley et al. (1996)) were run interactively with a general circulation model (GCM) of the atmosphere for four time periods. The GCM utilized is GENESIS 2.0, designed for paleoclimate studies. The four time periods for which all four vegetation models are employed are the Early Miocene, Oxygen Isotope Stage Three (warm and cool phases) between 30,000 and 42,000 years ago, and the Last Glacial Maximum. Differences between parameterizations include differences in the number of vegetation types in each model, the inclusion in some models of the influence of atmospheric CO2 levels on the growth of C3 versus C4 vegetation and on stomatal conductance, and whether the models focus on the equilibrium or dynamic state of ecosystems. Preliminary results indicate only small differences in globally-averaged mean annual temperature and precipitation values, suggesting that all models have almost the same effect on the climate. There are differences, however, in how accurately each model reproduces the paleorecord. For example, in the Miocene simulations, when compared to the data of Wolfe (1985), the SDVM model underpredicts the presence of deciduous vegetation in North America, while the EVE model underpredicts the presence of coniferous forest in Eurasia. In the Last Glacial

  11. Surface-plasma interactions in GaAs subjected to capacitively coupled RF plasmas

    CERN Document Server

    Surdu-Bob, C C

    2002-01-01

    Surface compositional changes in GaAs due to RF plasmas of different gases have been investigated by XPS and etch rates were measured using AFM. Angular Resolved XPS (ARXPS) was also employed for depth analysis of the composition of the surface layers. An important role in this study was determination of oxide thickness using XPS data. The study of surface - plasma interaction was undertaken by correlating results of surface analysis with plasma diagnosis. Different experiments were designed to accurately measure the BEs associated with the Ga 3d, Ga 2p sub 3 sub / sub 2 and LMM peaks using XPS analysis and propose identification in terms of the oxides of GaAs. Along with GaAs wafers, some reference compounds such as metallic Ga and Ga sub 2 O sub 3 powder were used. A separate study aiming the identification of the GaAs surface oxides formed on the GaAs surface during and after plasma processing was undertaken. Surface compositional changes after plasma treatment, prior to surface analysis are considered, wi...

  12. Coupling interaction between biodiversity and aquatic habitat area in Western Route Project vicinity

    Institute of Scientific and Technical Information of China (English)

    Shi-min TIAN; Zhao-yin WANG; Xiang-jun LIU; Shi-kui LIANG

    2010-01-01

    The Western Route of the South-to-North Water Transfer Project will divert water from the upper Yangtze River and its tributaries,the Dadu River and Yalong River,to the upper Yellow River.The project may ease the water shortage in the Yellow River Basin.However,it may also have some effects on the ecosystem in the upper Yangtze River Basin.Benthic invertebrates play an important role in the river ecosystem,particularly in the circulation of materials and nutrition.Benthic invertebrates are widely used to quickly assess river ecosystems because of their rapid response to changes in the water environment.The diversity of benthic invertebrates is closely associated with the aquatic habitat area.This study examined this interaction by sampling the benthic invertebrates in an expanding area.The conclusions are that the diversity of benthic invertebrates begins to decrease when the aquatic habitat area is reduced to 45% of the original area,and decreases dramatically when the aquatic habitat area is reduced to 10% of the original area.The aquatic habitat area should be kept at more than 45% of the original area in order to maintain the significant diversity of benthic invertebrates.

  13. Simultaneous analysis of multiple neurotransmitters by hydrophilic interaction liquid chromatography coupled to tandem mass spectrometry.

    Science.gov (United States)

    Tufi, Sara; Lamoree, Marja; de Boer, Jacob; Leonards, Pim

    2015-05-22

    Neurotransmitters are endogenous metabolites that allow the signal transmission across neuronal synapses. Their biological role is crucial for many physiological functions and their levels can be changed by several diseases. Because of their high polarity, hydrophilic interaction liquid chromatography (HILIC) is a promising tool for neurotransmitter analysis. Due to the large number of HILIC stationary phases available, an evaluation of the column performances and retention behaviors has been performed on five different commercial HILIC packing materials (silica, amino, amide and two zwitterionic stationary phases). Several parameters like the linear correlation between retention and the distribution coefficient (logD), the separation factor k and the column resolution Rs have been investigated and the column performances have been visualized with a heat map and hierarchical clustering analysis. An optimized and validated HILIC-MS/MS method based on the ZIC-cHILIC column is proposed for the simultaneous detection and quantification of twenty compounds consisting of neurotransmitters, precursors and metabolites: 3-methoxytyramine (3-MT), 5-hydroxyindoleacetic acid (5-HIAA), 5-hydroxy-L-tripthophan, acetylcholine, choline, L-3,4-dihydroxyphenylalanine (L-DOPA), dopamine, epinephrine, γ-aminobutyric acid (GABA), glutamate, glutamine, histamine, histidine, L-tryptophan, L-tyrosine, norepinephrine, normetanephrine, phenylalanine, serotonin and tyramine. The method was applied to neuronal metabolite profiling of the central nervous system of the freshwater snail Lymnaea stagnalis. This method is suitable to explore neuronal metabolism and its alteration in different biological matrices.

  14. Fluid-structure interaction in the left ventricle of the human heart coupled with mitral valve

    Science.gov (United States)

    Meschini, Valentina; de Tullio, Marco Donato; Querzoli, Giorgio; Verzicco, Roberto

    2016-11-01

    In this paper Direct Numerical Simulations (DNS), implemented using a fully fluid-structure interaction model for the left ventricle, the mitral valve and the flowing blood, and laboratory experiments are performed in order to cross validate the results. Moreover a parameter affecting the flow dynamics is the presence of a mitral valve. We model two cases, one with a natural mitral valve and another with a prosthetic mechanical one. Our aim is to understand their different effects on the flow inside the left ventricle in order to better investigate the process of valve replacement. We simulate two situations, one of a healthy left ventricle and another of a failing one. While in the first case the flow reaches the apex of the left ventricle and washout the stagnant fluid with both mechanical and natural valve, in the second case the disturbance generated by the mechanical leaflets destabilizes the mitral jet, thus further decreasing its capability to penetrate the ventricular region and originating heart attack or cardiac pathologies in general.

  15. Spin-spiral states in undoped manganites: role of finite Hund's rule coupling.

    Science.gov (United States)

    Kumar, Sanjeev; van den Brink, Jeroen; Kampf, Arno P

    2010-01-08

    The experimental observation of multiferroic behavior in perovskite manganites with a spiral spin structure requires a clarification of the origin of these magnetic states and their relation to ferroelectricity. We show that spin-spiral phases with a diagonal wave vector and also an E-type phase exist for intermediate value of Hund's rule and the Jahn-Teller coupling in the orbitally ordered and insulating state of the standard two-band model Hamiltonian for manganites. Our results support the spin-current mechanism for ferroelectricity and present an alternative view to earlier conclusions where frustrating superexchange couplings were crucial to obtaining spin-spiral states.

  16. Far-Field to Near-Field Coupling for Enhancing Light-Matter Interaction

    Science.gov (United States)

    Bonakdar, Alireza

    This thesis reports on theoretical, modeling, and experimental research within the framework of a key scientific question, which is enhancing the coupling between diffraction-limited far-field and sub-wavelength quantum emitter/absorber. A typical optoelectronic device delivers an optical process such as light detection (e.g. photodetector) or light intensity modulation (e.g. electro-absorptive modulator). In conventional devices, optical process is in the form of far-field or guided wave modes. The main aim of this thesis is to show that converting these modes into near-field domain can enhance the performance of the optoelectronic device. Light in the form of far-field can be converted into near-field domain by the optical antenna. Among different optoelectronic devices, this thesis focuses mainly on integrating the optical antenna with infrared photodetectors. The available semiconductors have weak infrared absorption that reduces light detection efficiency. Integration of the optical antenna with infrared absorber (such as quantum wells in quantum well infrared photodetector (QWIP)) increases the infrared absorption. Particularly this integration is favorable as the optical antenna has low metallic loss in infrared region. The author of this thesis believes that optical antenna has unique properties in confining light on the scale of deep sub-wavelength, enhancing electric field intensity and delivering optical energy to semiconductor absorbers. These properties are reaching into practical applications only if overall optical performance is low loss, parameter free (independent of optical parameters such a polarization and angle of incident) and broadband. In this thesis, the integration of optical antenna with infrared photodetectors and thermophotovoltaic are researched and developed which satisfy the aforementioned criteria. In addition, several different optical antennas have been designed, fabricated and characterized in order to analyze and demonstrate

  17. A PALB2-interacting domain in RNF168 couples homologous recombination to DNA break-induced chromatin ubiquitylation

    Science.gov (United States)

    Luijsterburg, Martijn S; Typas, Dimitris; Caron, Marie-Christine; Wiegant, Wouter W; van den Heuvel, Diana; Boonen, Rick A; Couturier, Anthony M; Mullenders, Leon H; Masson, Jean-Yves; van Attikum, Haico

    2017-01-01

    DNA double-strand breaks (DSB) elicit a ubiquitylation cascade that controls DNA repair pathway choice. This cascade involves the ubiquitylation of histone H2A by the RNF168 ligase and the subsequent recruitment of RIF1, which suppresses homologous recombination (HR) in G1 cells. The RIF1-dependent suppression is relieved in S/G2 cells, allowing PALB2-driven HR to occur. With the inhibitory impact of RIF1 relieved, it remains unclear how RNF168-induced ubiquitylation influences HR. Here, we uncover that RNF168 links the HR machinery to H2A ubiquitylation in S/G2 cells. We show that PALB2 indirectly recognizes histone ubiquitylation by physically associating with ubiquitin-bound RNF168. This direct interaction is mediated by the newly identified PALB2-interacting domain (PID) in RNF168 and the WD40 domain in PALB2, and drives DNA repair by facilitating the assembly of PALB2-containing HR complexes at DSBs. Our findings demonstrate that RNF168 couples PALB2-dependent HR to H2A ubiquitylation to promote DNA repair and preserve genome integrity. DOI: http://dx.doi.org/10.7554/eLife.20922.001 PMID:28240985

  18. Determination of inorganic pharmaceutical counterions using hydrophilic interaction chromatography coupled with a Corona CAD detector.

    Science.gov (United States)

    Huang, Z; Richards, M A; Zha, Y; Francis, R; Lozano, R; Ruan, J

    2009-12-05

    A simple generic approach was investigated for the determination of inorganic pharmaceutical counterions in drug substances using conventional high performance liquid chromatographic (HPLC) instruments. An intuitive approach combined Corona charged aerosol detection (CAD) with a polymer-based zwitterionic stationary phase in the hydrophilic interaction chromatography (HILIC) mode. Two generic methods based on this HILIC/CAD technique were developed to quantitate counterions such as Cl-, Br-, SO(4)(2-), K+, Ca2+ and Mg2+ in different pharmaceutical compounds. The development and capability of this HILIC/CAD technique analysis were examined. HILIC/CAD was compared to ion chromatography (IC), the most commonly used methodology for pharmaceutical counterion analysis. HILIC/CAD was found to have significant advantages in terms of: (1) being able to quantitate both anions and cations simultaneously without a need to change column/eluent or detection mode; (2) imposing much less restriction on the allowable organic percentage of the eluents than IC, and therefore being more appropriate for analysis of counterions of poorly water-soluble drugs; (3) requiring minimal training of the operating analysts. The precision and accuracy of counterion analysis using HILIC/CAD was not compromised. A typical precision of <2.0% was observed for all tested inorganic counterions; the determinations were within 2.0% relative to the theoretical counterion amount in the drug substance. Additionally, better accuracy was shown for Cl- in several drug substances as compared to IC. The main drawback of HILIC/CAD is its unsuitability for many of the current silica-based HILIC columns, because slight dissolution of silica leads to high baseline noise in the CAD detector. As a result of the universal detection characteristics of Corona CAD and the unique separation capabilities of a zwitterionic stationary phase, an intuitive and robust HPLC method was developed for the generic determination of

  19. Mechanism of a strongly anisotropic MoIII-CN-MnII spin-spin coupling in molecular magnets based on the [Mo(CN)(7)](4-) heptacyanometalate: a new strategy for single-molecule magnets with high blocking temperatures.

    Science.gov (United States)

    Mironov, Vladimir S; Chibotaru, Liviu F; Ceulemans, Arnout

    2003-08-13

    Unusual spin coupling between Mo(III) and Mn(II) cyano-bridged ions in bimetallic molecular magnets based on the [Mo(III)(CN)(7)](4-) heptacyanometalate is analyzed in terms of the superexchange theory. Due to the orbital degeneracy and strong spin-orbit coupling on Mo(III), the ground state of the pentagonal-bipyramidal [Mo(III)(CN)(7)](4-) complex corresponds to an anisotropic Kramers doublet. Using a specially adapted kinetic exchange model we have shown that the Mo(III)-CN-Mn(II) superexchange interaction is extremely anisotropic: it is described by an Ising-like spin Hamiltonian JS(z)(Mo) S(z)(Mn) for the apical pairs and by the J(z)S(z)(Mo) S(z)(Mn) + J(xy)(Sx(Mo) Sx(Mn) + Sy(Mo) Sy(Mn)) spin Hamiltonian for the equatorial pairs (in the latter case J(z) and J(xy) can have opposite signs). This anisotropy resulted from an interplay of several Ising-like (Sz(Mo) Sz(Mn)) and isotropic (S(Mo)S(Mn)) ferro- and antiferromagnetic contributions originating from metal-to-metal electron transfers through the pi and sigma orbitals of the cyano bridges. The Mo(III)-CN-Mn(II) exchange anisotropy is distinct from the anisotropy of the g-tensor of [Mo(III)(CN)(7)](4-); moreover, there is no correlation between the exchange anisotropy and g-tensor anisotropy. We indicate that highly anisotropic spin-spin couplings (such as the Ising-like JS(z)(Mo) S(z)(Mn)) combined with large exchange parameters represent a very important source of the global magnetic anisotropy of polyatomic molecular magnetic clusters. Since the total spin of such clusters is no longer a good quantum number, the spin spectrum pattern can differ considerably from the conventional scheme described by the zero-field splitting of the isotropic spin of the ground state. As a result, the spin reorientation barrier of the magnetic cluster may be considerably larger. This finding opens a new way in the strategy of designing single-molecule magnets (SMM) with unusually high blocking temperatures. The use of

  20. The Effect of Student Learning Styles on the Learning Gains Achieved When Interactive Simulations Are Coupled with Real-Time Formative Assessment via Pen-Enabled Mobile Technology

    CERN Document Server

    Kowalski, F V

    2013-01-01

    This paper describes results from a project in an undergraduate engineering physics course that coupled classroom use of interactive computer simulations with the collection of real-time formative assessment using pen-enabled mobile technology. Interactive simulations (free or textbook-based) are widely used across the undergraduate science and engineering curriculia to help actively engaged students increase their understanding of abstract concepts or phenomena which are not directly or easily observable. However, there are indications in the literature that we do not yet know the pedagogical best practices associated with their use to maximize learning. This project couples student use of interactive simulations with the gathering of real-time formative assessment via pen-enabled mobile technology (in this case, Tablet PCs). The research question addressed in this paper is: are learning gains achieved with this coupled model greater for certain types of learners in undergraduate STEM classrooms? To answer t...

  1. Low-temperature, non-stoichiometric oxygen isotope exchange coupled to Fe(II)-goethite interactions

    Energy Technology Data Exchange (ETDEWEB)

    Frierdich, Andrew J. [Univ. of Wisconsin, Madison, WI (United States); Univ. of Iowa, Iowa City, IA (United States); Beard, Brian L. [Univ. of Wisconsin, Madison, WI (United States); Rosso, Kevin M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Scherer, Michelle M. [Univ. of Iowa, Iowa City, IA (United States); Spicuzza, Michael J. [Univ. of Wisconsin, Madison, WI (United States); Valley, John W. [Univ. of Wisconsin, Madison, WI (United States); Johnson, Clark M. [Univ. of Wisconsin, Madison, WI (United States)

    2015-07-01

    The oxygen isotope composition of natural iron oxide minerals has been widely used as a paleoclimate proxy. Interpretation of their stable isotope compositions, however, requires accurate knowledge of isotopic fractionation factors and an understanding of their isotopic exchange kinetics, the latter of which informs us how diagenetic processes may alter their isotopic compositions. Prior work has demonstrated that crystalline iron oxides do not significantly exchange oxygen isotopes with pure water at low temperature, which has restricted studies of isotopic fractionation factors to precipitation experiments or theoretical calculations. Using a double three-isotope method (¹⁸O-¹⁷O-¹⁶O and ⁵⁷Fe-⁵⁶Fe-⁵⁴Fe) we compare O and Fe isotope exchange kinetics, and demonstrate, for the first time, that O isotope exchange between structural O in crystalline goethite and water occurs in the presence of aqueous Fe(II) (Fe(II)aq) at ambient temperature (i.e., 22–50 °C). The three-isotope method was used to extrapolate partial exchange results to infer the equilibrium, mass-dependent isotope fractionations between goethite and water. In addition, this was combined with a reversal approach to equilibrium by reacting goethite in two unique waters that vary in composition by about 16‰ in ¹⁸O/¹⁶O ratios. Our results show that interactions between Fe(II)aq and goethite catalyzes O isotope exchange between the mineral and bulk fluid; no exchange (within error) is observed when goethite is suspended in ¹⁷O-enriched water in the absence of Fe(II)aq. In contrast, Fe(II)-catalyzed O isotope exchange is accompanied by significant changes in ¹⁸O/¹⁶O ratios. Despite significant O exchange, however, we observed disproportionate amounts of Fe versus O exchange, where Fe isotope exchange in goethite was roughly three times that of O. This disparity provides novel insight into the reactivity of oxide minerals in aqueous

  2. Studies on multivalent interactions of quantum dots-protein self-assemble using fluorescence coupled capillary electrophoresis

    Science.gov (United States)

    Wang, Jianhao; Li, Jingyan; Teng, Yiwan; Hu, Wei; Chai, Hong; Li, Jinchen; Wang, Cheli; Qiu, Lin; Jiang, Pengju

    2014-07-01

    Nanoparticle-biomolecules self-assembly is the key to the understanding of biomolecular coating of nanoparticle. However, the self-assembly of biomolecules with nanoparticles is still under-exploited because of the lack of an efficient method to detect the subtle changes in the surface of nanoparticles. In this study, we utilized fluorescence coupled capillary electrophoresis (CE-FL) to probe the binding interaction between a multivalent ligand (dBSA, denatured bovine serum albumin which contains multiple thiol groups) and CdSe/ZnS quantum dots (QDs, 5 nm in diameter). The yield of QDs-dBSA complex increased with increasing molar ratio of dBSA to QDs, which plateaued at a ratio of 8:1. Besides, QDs-dBSA complex showed good stability due to the multivalent interaction, revealing that dBSA is a superior ligand for QDs. The self-assembly kinetics of QDs with dBSA manifested a bi-phasic kinetics with a linear initial stage followed by a saturating stage. This work revealed for the first time that there exist two types of binding sites on the surface of QDs for dBSA: one type termed "high priority" binding sites, which preferentially bind to the protein, whereas the "low priority" sites are occupied only after the first-type binding sites are fully bound. Our work thereby represents the first example of systematic investigation on the details of the metal-affinity driven self-assembly between QDs and dBSA utilizing the high-resolution CE-FL. It also expanded the application of CE-FL in the study of nanoparticle-biomolecule interaction and kinetics analysis.

  3. Single-Photon Scattering by a Three-level System Interacting with a Whispering-Gallery Resonator Coupled to One-Dimensional Waveguide

    Institute of Scientific and Technical Information of China (English)

    CHENG Mu-Tian; SONG Yan-Yan; LUO Ya-Qin; ZHAO Guang-xing

    2011-01-01

    We investigate theoretically the single-photon scattering by a A-type three-level system interacting with a whispering-gallery-type resonator which is coupled to a one-dimensional waveguide by full quantum-mechanical approach,The single-photon transmission amplitude and reflection amplitude are obtained exactly via real-space approach. The single-photon transport properties controlling by classic optical field are discussed. The critical coupling condition in the coupled waveguide-whispering-gallery resonator-atom with three-level system is also analyzed.

  4. A method for studies on interactions between a gold-based drug and plasma proteins based on capillary electrophoresis with inductively coupled plasma mass spectrometry detection

    DEFF Research Database (Denmark)

    Nguyen, Tam T T N; Østergaard, Jesper; Gammelgaard, Bente

    2015-01-01

    An analytical method based on capillary electrophoresis (CE) and inductively coupled plasma mass spectrometry (ICP-MS) detection was developed for studies on the interaction of gold-containing drugs and plasma proteins using auranofin as example. A detection limit of 18 ng/mL of auranofin...... was the major auranofin-interacting protein in plasma. The CE-ICP-MS method is proposed as a novel approach for kinetic studies of the interactions between gold-based drugs and plasma proteins. Graphical Abstract Development of a CE-ICP-MS based method allows for studies on interaction of the gold containing...

  5. Speciation of gadolinium in surface water samples and plants by hydrophilic interaction chromatography hyphenated with inductively coupled plasma mass spectrometry.

    Science.gov (United States)

    Lindner, Uwe; Lingott, Jana; Richter, Silke; Jakubowski, Norbert; Panne, Ulrich

    2013-02-01

    Hydrophilic interaction chromatography (HILIC) coupled with inductively coupled plasma mass spectrometry (ICP-MS) was optimized for speciation analysis of gadolinium-based contrast agents in environmental samples, in particular surface river waters and plants. Surface water samples from the Teltow channel, near Berlin, were investigated over a distance of 5 km downstream from the influx of a wastewater treatment plant. The total concentration of gadolinium increased significantly from 50 to 990 ng L(-1) due to the influx of the contrast agents. After complete mixing with the river water, the concentration remained constant over a distance of at least 4 km. Two main substances [Dotarem(®) (Gd-DOTA) and Gadovist(®) (Gd-BT-DO3A)] have been identified in the river water using standards. A gadolinium-based contrast agent, possibly Gd-DOTA (Dotarem(®)), was also detected in water plant samples taken from the Teltow channel. Therefore, uptake of contrast agents [Gadovist(®) (Gd-BTDO3A), Magnevist(®) (Gd-DTPA), Omniscan(®) (Gd-DTPA-BMA), Dotarem(®) (Gd-DOTA), and Multihance(®) (Gd-BOPTA)] by plants was investigated in a model experiment using Lepidium sativum (cress plants). HILIC-ICP-MS was used for identification of different contrast agents, and a first approach for quantification using aqueous standard solutions was tested. For speciation analysis, all investigated contrast agents could be extracted from the plant tissues with a recovery of about 54 % for Multihance(®) (Gd-BOPTA) up to 106 % for Gadovist(®) (Gd-BT-DO3A). These experiments demonstrate that all contrast agents investigated are transported from the roots to the leaves where the highest content was measured.

  6. PIP₂-dependent coupling is prominent in Kv7.1 due to weakened interactions between S4-S5 and S6.

    Science.gov (United States)

    Kasimova, Marina A; Zaydman, Mark A; Cui, Jianmin; Tarek, Mounir

    2015-01-06

    Among critical aspects of voltage-gated potassium (Kv) channels' functioning is the effective communication between their two composing domains, the voltage sensor (VSD) and the pore. This communication, called coupling, might be transmitted directly through interactions between these domains and, as recently proposed, indirectly through interactions with phosphatidylinositol-4,5-bisphosphate (PIP₂), a minor lipid of the inner plasma membrane leaflet. Here, we show how the two components of coupling, mediated by protein-protein or protein-lipid interactions, both contribute in the Kv7.1 functioning. On the one hand, using molecular dynamics simulations, we identified a Kv7.1 PIP₂ binding site that involves residues playing a key role in PIP₂-dependent coupling. On the other hand, combined theoretical and experimental approaches have shown that the direct interaction between the segments of the VSD (S4-S5) and the pore (S6) is weakened by electrostatic repulsion. Finally, we conclude that due to weakened protein-protein interactions, the PIP2-dependent coupling is especially prominent in Kv7.1.

  7. PIP2-dependent coupling is prominent in Kv7.1 due to weakened interactions between S4-S5 and S6

    Science.gov (United States)

    Kasimova, Marina A.; Zaydman, Mark A.; Cui, Jianmin; Tarek, Mounir

    2015-01-01

    Among critical aspects of voltage-gated potassium (Kv) channels' functioning is the effective communication between their two composing domains, the voltage sensor (VSD) and the pore. This communication, called coupling, might be transmitted directly through interactions between these domains and, as recently proposed, indirectly through interactions with phosphatidylinositol-4,5-bisphosphate (PIP2), a minor lipid of the inner plasma membrane leaflet. Here, we show how the two components of coupling, mediated by protein-protein or protein-lipid interactions, both contribute in the Kv7.1 functioning. On the one hand, using molecular dynamics simulations, we identified a Kv7.1 PIP2 binding site that involves residues playing a key role in PIP2-dependent coupling. On the other hand, combined theoretical and experimental approaches have shown that the direct interaction between the segments of the VSD (S4-S5) and the pore (S6) is weakened by electrostatic repulsion. Finally, we conclude that due to weakened protein-protein interactions, the PIP2-dependent coupling is especially prominent in Kv7.1.

  8. On the General Nature of Physical Objects and their Interactions, as Suggested by the Properties of Argumentally-Coupled Oscillating Systems

    CERN Document Server

    Doubochinski, Danil

    2008-01-01

    The work reported here originates in the discovery, four decades ago, of a previously unknown type of self-organizing interaction among oscillating systems -- so-called argumental interactions -- and of "quantized" modes of behavior in macroscopic argumentally-coupled oscillators, having no equivalent in the classical theory of oscillations. Recently the present authors have been jointly pursuing new lines of investigation into argumental interactions and their possible significance for the foundations of physics. Among other things, the study of argumentally-coupled oscillators suggested to the authors a new general way of looking at physical objects, their interactions and their aggregative,"social" behavior as manifested on all scales of observation. We believe this new viewpoint, which differs significantly both from that of classical physics and from quantum theory as presently understood, might lead to a more coherent understanding of many natural phenomena which until now have been studied only in a pi...

  9. Highly conserved asparagine 82 controls the interaction of Na+ with the sodium-coupled neutral amino acid transporter SNAT2.

    Science.gov (United States)

    Zhang, Zhou; Gameiro, Armanda; Grewer, Christof

    2008-05-01

    The neutral amino acid transporter 2 (SNAT2), which belongs to the SLC38 family of solute transporters, couples the transport of amino acid to the cotransport of one Na(+) ion into the cell. Several polar amino acids are highly conserved within the SLC38 family. Here, we mutated three of these conserved amino acids, Asn(82) in the predicted transmembrane domain 1 (TMD1), Tyr(337) in TMD7, and Arg(374) in TMD8; and we studied the functional consequences of these modifications. The mutation of N82A virtually eliminated the alanine-induced transport current, as well as amino acid uptake by SNAT2. In contrast, the mutations Y337A and R374Q did not abolish amino acid transport. The K(m) of SNAT2 for its interaction with Na(+), K(Na(+)), was dramatically reduced by the N82A mutation, whereas the more conservative mutation N82S resulted in a K(Na(+)) that was in between SNAT2(N82A) and SNAT2(WT). These results were interpreted as a reduction of Na(+) affinity caused by the Asn(82) mutations, suggesting that these mutations interfere with the interaction of SNAT2 with the sodium ion. As a consequence of this dramatic reduction in Na(+) affinity, the apparent K(m) of SNAT2(N82A) for alanine was increased 27-fold compared with that of SNAT2(WT). Our results demonstrate a direct or indirect involvement of Asn(82) in Na(+) coordination by SNAT2. Therefore, we predict that TMD1 is crucial for the function of SLC38 transporters and that of related families.

  10. Rashbon Bound States Associated with a Spherical Spin-Orbit Coupling in an Ultracold Fermi Gas with an s-Wave Interaction

    Science.gov (United States)

    Yamaguchi, T.; Inotani, D.; Ohashi, Y.

    2016-05-01

    We investigate the formation of rashbon bound states and strong-coupling effects in an ultracold Fermi gas with a spherical spin-orbit interaction, H_so=λ {\\varvec{p}}\\cdot {σ } (where {σ }=(σ _x,σ _y,σ _z) are Pauli matrices). Extending the strong-coupling theory developed by Nozières and Schmitt-Rink (NSR) to include this spin-orbit coupling, we determine the superfluid phase transition temperature T_c, as functions of the strength of a pairing interaction U_s, as well as the spin-orbit coupling strength λ . Evaluating poles of the NSR particle-particle scattering matrix describing fluctuations in the Cooper channel, we clarify the region where rashbon bound states dominate the superfluid phase transition in the U_s-λ phase diagram. Since the antisymmetric spin-orbit interaction H_so breaks the inversion symmetry of the system, rashbon bound states naturally have not only a spin-singlet and even-parity symmetry, but also a spin-triplet and odd-parity symmetry. Thus, our results would be also useful for the study of this parity-mixing effect in the BCS-BEC crossover regime of a spin-orbit coupled Fermi gas.

  11. Strong-Coupling Properties of a p-Wave Interacting Fermi Gas on the Viewpoint of Specific Heat at Constant Volume

    Science.gov (United States)

    Inotani, Daisuke; van Wyk, Pieter; Ohashi, Yoji

    2017-02-01

    We theoretically investigate the specific heat CV at constant volume in the normal state of a p-wave interacting Fermi gas. Including fluctuations in the p-wave Cooper channel within the framework of the strong-coupling theory developed by Nozières and Schmitt-Rink, we clarify how CV as a function of temperature varies, as one moves from the weak-coupling regime to the strong-coupling limit. In the weak-coupling regime, CV is shown to be enhanced by p-wave pairing fluctuations, near the superfluid phase transition temperature Tc. Similar enhancement of CV(T ≃ Tc) is also obtained in the strong-coupling regime, which, however, reflects that system is close an ideal Bose gas of p-wave two-body bound molecules. Using these results, we classify the normal state into (1) the normal Fermi gas regime, (2) the p-wave molecular Bose gas regime, and (3) the region between the two, where p-wave pairing fluctuations are dominant. Since the current experiments can only access the normal phase of a p-wave interacting Fermi gas, our results would be useful for experiments to understand strong-coupling properties of this Fermi system above Tc.

  12. Charge renormalization and other exact coupling corrections to the dipolar effective interaction in an electrolyte near a dielectric wall.

    Science.gov (United States)

    Aqua, J-N; Cornu, F

    2004-11-01

    The aim of the paper is to study the renormalizations of the charge and screening length that appear in the large-distance behavior of the effective pairwise interaction w(alphaalpha') between two charges e(alpha) and e(alpha') in a dilute electrolyte solution, both along a dielectric wall and in the bulk. The electrolyte is described by the so-called primitive model in the framework of classical statistical mechanics and the electrostatic response of the wall is characterized by its dielectric constant. In a previous paper [Phys. Rev. E 68, 022133 (2003)] a graphic reorganization of resummed Mayer diagrammatics has been devised in order to exhibit the general structure of the 1/y3 leading tail of w(alphaalpha') (x,x',y) for two charges located at distances x and x' from the wall and separated by a distance y along the wall. When all species have the same closest approach distance b to the wall, the coefficient of the 1/y3 tail is the product Dalpha(x)Dalpha'(x') of two effective dipoles. Here we use the same graphic reorganization in order to systematically investigate the exponential large-distance behavior of w(alphaalpha') in the bulk. (We show that the reorganization also enables one to derive the basic screening rules in both cases.) Then, in a regime of high dilution and weak coupling, the exact analytical corrections to the leading tail of w(alphaalpha'), both in the bulk or along the wall, are calculated at first order in the coupling parameter epsilon and in the limit where b becomes negligible with respect to the Debye screening length. (Epsilon is proportional to the so-called plasma parameter.) The structure of corrections to the terms of order epsilon is exhibited, and the scaling regime for the validity of the Debye limit is specified. In the vicinity of the wall, we use the density profiles calculated previously [J. Stat. Phys. 105, 211 (2001)] up to order epsilon and a method devised [J. Stat. Phys. 105, 245 (2001)] for the determination of the

  13. Imperfectly synchronized states and chimera states in two interacting populations of nonlocally coupled Stuart-Landau oscillators.

    Science.gov (United States)

    Premalatha, K; Chandrasekar, V K; Senthilvelan, M; Lakshmanan, M

    2016-07-01

    We investigate the emergence of different kinds of imperfectly synchronized states and chimera states in two interacting populations of nonlocally coupled Stuart-Landau oscillators. We find that the complete synchronization in population I and existence of solitary oscillators which escape from the synchronized group in population II lead to imperfectly synchronized states for sufficiently small values of nonisochronicity parameter. Interestingly, upon increasing the strength of this parameter further there occurs an onset of mixed imperfectly synchronized states where the solitary oscillators occur from both the populations. Synchronized oscillators from both the populations are locked to a common average frequency. In both cases of imperfectly synchronized states, synchronized oscillators exhibit periodic motion while the solitary oscillators are quasiperiodic in nature. In this region, for spatially prepared initial conditions, we can observe the mixed chimera states where the coexistence of synchronized and desynchronized oscillations occur from both the populations. On the other hand, imperfectly synchronized states are not always stable, and they can drift aperiodically due to instability caused by an increase of nonisochronicity parameter. We observe that these states are robust to the introduction of frequency mismatch between the two populations.

  14. Simulating low frequency sound transmission through walls and windows by a two-way coupled fluid structure interaction model

    Science.gov (United States)

    Løvholt, Finn; Norèn-Cosgriff, Karin; Madshus, Christian; Ellingsen, Ståle Engvik

    2017-05-01

    Aircraft, supersonic flights, blasts, and explosions emit sound with substantial energy below 100 Hz. When the low frequency sound is transmitted inside a building, it generates vibration and rattling that may lead to annoyance. Our understanding of these low frequency phenomena is presently limited. In this paper, we attempt to improve our computational capabilities related to the low frequency sound transmission. For this purpose, a finite element methodology that incorporates a two-way coupled fluid-structure interaction, has been developed. Results from a broad experimental investigation of low frequency sound transmission are compared with the numerical finite element simulations. Plain walls, and walls with windows are studied. Close agreement between the simulations and the laboratory measurement data is obtained in the frequency range investigated (10-100 Hz). It was found that structural connections were of large importance for modeling the vibration and sound transmission. The windows control the low frequency transmission from 15 to 30 Hz, whereas the walls control the sound transmission from 30 to 100 Hz. Mitigation of vibrations and rattling induced by low frequency sound therefore needs to consider both wall and window construction.

  15. A microscopic particle-vibration coupling approach for atomic nuclei. Giant resonance properties and the renormalization of the effective interaction

    CERN Document Server

    Brenna, Marco

    2014-01-01

    The self-consistent mean-field (SCMF) theory describes many properties of the ground state and excited states of the atomic nucleus, such as masses, radii, deformations and giant resonance energies. SCMF models are based on the independent particle picture where nucleons are assumed to move in a self-generated average potential. In the first part of this work, we apply a state-of-the-art SCMF approach, based on the Skyrme effective interaction, to two different excitations (viz. the pygmy dipole resonance and the isovector giant quadrupole resonance), investigating their relation with the nuclear matter symmetry energy, which corresponds to the energy cost for changing protons into neutrons and is a key parameter for the nuclear equation of state. However, SCMF models present well known limitations which require the inclusion of further dynamical correlations, e.g. the ones coming from the interweaving between single-particle and collective degrees of freedom (particle-vibration coupling - PVC). In the second...

  16. Flood analysis in mixed-urban areas reflecting interactions with the complete water cycle through coupled hydrologic-hydraulic modelling.

    Science.gov (United States)

    Sto Domingo, N D; Refsgaard, A; Mark, O; Paludan, B

    2010-01-01

    The potential devastating effects of urban flooding have given high importance to thorough understanding and management of water movement within catchments, and computer modelling tools have found widespread use for this purpose. The state-of-the-art in urban flood modelling is the use of a coupled 1D pipe and 2D overland flow model to simultaneously represent pipe and surface flows. This method has been found to be accurate for highly paved areas, but inappropriate when land hydrology is important. The objectives of this study are to introduce a new urban flood modelling procedure that is able to reflect system interactions with hydrology, verify that the new procedure operates well, and underline the importance of considering the complete water cycle in urban flood analysis. A physically-based and distributed hydrological model was linked to a drainage network model for urban flood analysis, and the essential components and concepts used were described in this study. The procedure was then applied to a catchment previously modelled with the traditional 1D-2D procedure to determine if the new method performs similarly well. Then, results from applying the new method in a mixed-urban area were analyzed to determine how important hydrologic contributions are to flooding in the area.

  17. Phase Coupling in Langmuir Wave Packets: Evidence for Four Wave Interactions in Solar Type III Radio Bursts

    Science.gov (United States)

    Thejappa, G.; MacDowall, R. J.; Bergamo, M.

    2012-01-01

    The four wave interaction process, known as the oscillating two stream instability (OTSI) is considered as one of the mechanisms responsible for stabilizing the electron beams associated with solar type III radio bursts. It has been reported that (1) an intense localized Langmuir wave packet associated with a type III burst contains the spectral characteristics of the OTSI: (a) a resonant peak at the local electron plasma frequency, f(sub pe), (b) a Stokes peak at a frequency slightly lower than f(sub pe), (c) anti-Stokes peak at a frequency slightly higher than f(sub pe), and (d) a low frequency enhancement below a few hundred Hz, (2) the frequencies and wave numbers of these spectral components satisfy the resonance conditions of the OTSI, and (3) the peak intensity of the wave packet is well above the thresholds for the OTSI as well as spatial collapse of envelope solitons. Here, for the first time, applying the trispectral analysis on this wave packet, we show that the tricoherence, which measures the degree of coherent four-wave coupling amongst the observed spectral components exhibits a peak. This provides an additional evidence for the OTSI and related spatial collapse of Langmuir envelope solitons in type III burst sources.

  18. Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin–spin coupling constants

    DEFF Research Database (Denmark)

    Provasi, Patricio F.; Caputo, María Cristina; Sauer, Stephan P. A.

    2012-01-01

    A theoretical study of FCCF:(HF)n complexes, with n = 1 and 2, has been carried out by means of ab initio computational methods. Two types of complexes are formed: those with FH···p interactions and those with FH···FC hydrogen bonds. The indirect spin–spin coupling constants have been calculated ...

  19. Flow-flame interactions causing acoustically coupled heat release fluctuations in a thermo-acoustically unstable gas turbine model combustor

    Energy Technology Data Exchange (ETDEWEB)

    Steinberg, A.M.; Boxx, I.; Stoehr, M.; Meier, W. [Institute for Combustion Technology, German Aerospace Centre (DLR), 70569 Stuttgart (Germany); Carter, C.D. [Air Force Research Laboratory, Wright-Patterson AFB, OH (United States)

    2010-12-15

    A detailed analysis of the flow-flame interactions associated with acoustically coupled heat-release rate fluctuations was performed for a 10 kW, CH{sub 4}/air, swirl stabilized flame in a gas turbine model combustor exhibiting self-excited thermo-acoustic oscillations at 308 Hz. High-speed stereoscopic particle image velocimetry, OH planar laser induced fluorescence, and OH* chemiluminescence measurements were performed at a sustained repetition rate of 5 kHz, which was sufficient to resolve the relevant combustor dynamics. Using spatio-temporal proper orthogonal decomposition, it was found that the flow-field contained several simultaneous periodic motions: the reactant flux into the combustion chamber periodically oscillated at the thermo-acoustic frequency (308 Hz), a helical precessing vortex core (PVC) circumscribed the burner nozzle at 515 Hz, and the PVC underwent axial contraction and extension at the thermo-acoustic frequency. The global heat release rate fluctuated at the thermo-acoustic frequency, while the heat release centroid circumscribed the combustor at the difference between the thermo-acoustic and PVC frequencies. Hence, the three-dimensional location of the heat release fluctuations depended on the interaction of the PVC with the flame surface. This motivated the compilation of doubly phase resolved statistics based on the phase of both the acoustic and PVC cycles, which showed highly repeatable periodic flow-flame configurations. These include flames stabilized between the inflow and inner recirculation zone, large-scale flame wrap-up by the PVC, radial deflection of the inflow by the PVC, and combustion in the outer recirculation zones. Large oscillations in the flame surface area were observed at the thermo-accoustic frequency that significantly affected the total heat-release oscillations. By filtering the instantaneous reaction layers at different scales, the importance of the various flow-flame interactions affecting the flame area was

  20. Characterization of the Raptor/4E-BP1 interaction by chemical cross-linking coupled with mass spectrometry analysis.

    Science.gov (United States)

    Coffman, Kimberly; Yang, Bing; Lu, Jie; Tetlow, Ashley L; Pelliccio, Emelia; Lu, Shan; Guo, Da-Chuan; Tang, Chun; Dong, Meng-Qiu; Tamanoi, Fuyuhiko

    2014-02-21

    mTORC1 plays critical roles in the regulation of protein synthesis, growth, and proliferation in response to nutrients, growth factors, and energy conditions. One of the substrates of mTORC1 is 4E-BP1, whose phosphorylation by mTORC1 reverses its inhibitory action on eIF4E, resulting in the promotion of protein synthesis. Raptor in mTOR complex 1 is believed to recruit 4E-BP1, facilitating phosphorylation of 4E-BP1 by the kinase mTOR. We applied chemical cross-linking coupled with mass spectrometry analysis to gain insight into interactions between mTORC1 and 4E-BP1. Using the cross-linking reagent bis[sulfosuccinimidyl] suberate, we showed that Raptor can be cross-linked with 4E-BP1. Mass spectrometric analysis of cross-linked Raptor-4E-BP1 led to the identification of several cross-linked peptide pairs. Compilation of these peptides revealed that the most N-terminal Raptor N-terminal conserved domain (in particular residues from 89 to 180) of Raptor is the major site of interaction with 4E-BP1. On 4E-BP1, we found that cross-links with Raptor were clustered in the central region (amino acid residues 56-72) we call RCR (Raptor cross-linking region). Intramolecular cross-links of Raptor suggest the presence of two structured regions of Raptor: one in the N-terminal region and the other in the C-terminal region. In support of the idea that the Raptor N-terminal conserved domain and the 4E-BP1 central region are closely located, we found that peptides that encompass the RCR of 4E-BP1 inhibit cross-linking and interaction of 4E-BP1 with Raptor. Furthermore, mutations of residues in the RCR decrease the ability of 4E-BP1 to serve as a substrate for mTORC1 in vitro and in vivo.

  1. Dip-Hump Temperature Dependence of Specific Heat and Effects of Pairing Fluctuations in the Weak-Coupling Side of a P-Wave Interacting Fermi Gas

    Science.gov (United States)

    Inotani, Daisuke; van Wyk, Pieter; Ohashi, Yoji

    2016-12-01

    We investigate the specific heat CV at constant volume in the normal state of a p-wave interacting Fermi gas. Including p-wave pairing fluctuations within the strong-coupling theory developed by Nozières and Schmitt-Rink, we show that, in the weak-coupling side, CV exhibits a dip-hump behavior as a function of the temperature. While the dip is associated with the pseudogap phenomenon near Tc, the hump structure is found to come from the suppression of Fermi quasiparticle scattering into a p-wave molecular state in the Fermi degenerate regime. Since the latter phenomenon does not occur in the ordinary s-wave interacting Fermi gas, it may be viewed as a characteristic phenomenon associated with a p-wave pairing interaction.

  2. Two-electron bound state formation in the t-J-U model for exchange-coupled planes

    OpenAIRE

    Morriss-Andrews, A.; Gooding, R. J.

    2007-01-01

    An anisotropic t-J-U model Hamiltonian is used to model electron behaviour in quasi-2d materials in the dilute limit, and as a highly simplified representation of the weakly coupled CuO2 planes of the high-Tc cuprates we model the very poor out-of-plane conductivity via the complete suppression of interplanar hopping. However, we do include the very weak interplanar superexchange, and are thus considering a model of exchange-coupled planes. For an isotropic three-dimensional system in the dil...

  3. Modeling coupled interactions of carbon, water, and ozone exchange between terrestrial ecosystems and the atmosphere. I: model description.

    Science.gov (United States)

    Nikolov, Ned; Zeller, Karl F

    2003-01-01

    A new biophysical model (FORFLUX) is presented to study the simultaneous exchange of ozone, carbon dioxide, and water vapor between terrestrial ecosystems and the atmosphere. The model mechanistically couples all major processes controlling ecosystem flows trace gases and water implementing recent concepts in plant eco-physiology, micrometeorology, and soil hydrology. FORFLUX consists of four interconnected modules-a leaf photosynthesis model, a canopy flux model, a soil heat-, water- and CO2- transport model, and a snow pack model. Photosynthesis, water-vapor flux and ozone uptake at the leaf level are computed by the LEAFC3 sub-model. The canopy module scales leaf responses to a stand level by numerical integration of the LEAFC3model over canopy leaf area index (LAI). The integration takes into account (1) radiative transfer inside the canopy, (2) variation of foliage photosynthetic capacity with canopy depth, (3) wind speed attenuation throughout the canopy, and (4) rainfall interception by foliage elements. The soil module uses principles of the diffusion theory to predict temperature and moisture dynamics within the soil column, evaporation, and CO2 efflux from soil. The effect of soil heterogeneity on field-scale fluxes is simulated employing the Bresler-Dagan stochastic concept. The accumulation and melt of snow on the ground is predicted using an explicit energy balance approach. Ozone deposition is modeled as a sum of three fluxes- ozone uptake via plant stomata, deposition to non-transpiring plant surfaces, and ozone flux into the ground. All biophysical interactions are computed hourly while model projections are made at either hourly or daily time step. FORFLUX represents a comprehensive approach to studying ozone deposition and its link to carbon and water cycles in terrestrial ecosystems.

  4. Arctic climate and its interaction with lower latitudes under different levels of anthropogenic warming in a global coupled climate model

    Science.gov (United States)

    Koenigk, Torben; Brodeau, Laurent

    2017-07-01

    Three quasi-equilibrium simulations using constant greenhouse gas forcing corresponding to years 2000, 2015 and 2030 have been performed with the global coupled model EC-Earth in order to analyze the Arctic climate and interactions with lower latitudes under different levels of anthropogenic warming. The model simulations indicate an accelerated warming and ice extent reduction in the Arctic between the year-2030 and year-2015 simulations compared to the change between the year-2015 and year-2000 simulations. Both Arctic warming and sea ice reduction are closely linked to the increase of ocean heat transport into the Arctic, particularly through the Barents Sea Opening. Decadal variations of Arctic sea ice extent and ice volume are of the same order of magnitude as the observed ice extent reductions in the last 30 years and are dominated by the variability of the ocean heat transports through the Barents Sea Opening and the Bering Strait. Despite a general warming of mid and high northern latitudes, a substantial cooling is found in the subpolar gyre of the North Atlantic under year-2015 and year-2030 conditions. This cooling is related to a strong reduction in the AMOC, itself due to reduced deep water formation in the Labrador Sea. The observed trend towards a more negative phase of the North Atlantic Oscillation (NAO) and the observed linkage between autumn Arctic ice variations and NAO are reproduced in our model simulations for selected 30-year periods but are not robust over longer time periods. This indicates that the observed linkages between ice and NAO might not be robust in reality either, and that the observational time period is still too short to reliably separate the trend from the natural variability.

  5. A Highly Coupled Network of Tertiary Interactions in the SAM-I Riboswitch and Their Role in Regulatory Tuning.

    Science.gov (United States)

    Wostenberg, Christopher; Ceres, Pablo; Polaski, Jacob T; Batey, Robert T

    2015-11-06

    RNA folding in vivo is significantly influenced by transcription, which is not necessarily recapitulated by Mg(2+)-induced folding of the corresponding full-length RNA in vitro. Riboswitches that regulate gene expression at the transcriptional level are an ideal system for investigating this aspect of RNA folding as ligand-dependent termination is obligatorily co-transcriptional, providing a clear readout of the folding outcome. The folding of representative members of the SAM-I family of riboswitches has been extensively analyzed using approaches focusing almost exclusively upon Mg(2+) and/or S-adenosylmethionine (SAM)-induced folding of full-length transcripts of the ligand binding domain. To relate these findings to co-transcriptional regulatory activity, we have investigated a set of structure-guided mutations of conserved tertiary architectural elements of the ligand binding domain using an in vitro single-turnover transcriptional termination assay, complemented with phylogenetic analysis and isothermal titration calorimetry data. This analysis revealed a conserved internal loop adjacent to the SAM binding site that significantly affects ligand binding and regulatory activity. Conversely, most single point mutations throughout key conserved features in peripheral tertiary architecture supporting the SAM binding pocket have relatively little impact on riboswitch activity. Instead, a secondary structural element in the peripheral subdomain appears to be the key determinant in observed differences in regulatory properties across the SAM-I family. These data reveal a highly coupled network of tertiary interactions that promote high-fidelity co-transcriptional folding of the riboswitch but are only indirectly linked to regulatory tuning.

  6. Mode-coupling approach to polymer diffusion in an unentangled melt. II. The effect of viscoelastic hydrodynamic interactions

    Science.gov (United States)

    Farago, J.; Meyer, H.; Baschnagel, J.; Semenov, A. N.

    2012-05-01

    A mode-coupling theory (MCT) version (called hMCT thereafter) of a recently presented theory [Farago, Meyer, and Semenov, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.107.178301 107, 178301 (2011)] is developed to describe the diffusional properties of a tagged polymer in a melt. The hMCT accounts for the effect of viscoelastic hydrodynamic interactions (VHIs), that is, a physical mechanism distinct from the density-based MCT (dMCT) described in the first paper of this series. The two versions of the MCT yield two different contributions to the asymptotic behavior of the center-of-mass velocity autocorrelation function (c.m. VAF). We show that in most cases the VHI mechanism is dominant; for long chains and prediffusive times it yields a negative tail ∝-N-1/2t-3/2 for the c.m. VAF. The case of non-momentum-conserving dynamics (Langevin or Monte Carlo) is discussed as well. It generally displays a distinctive behavior with two successive relaxation stages: first -N-1t-5/4 (as in the dMCT approach), then -N-1/2t-3/2. Both the amplitude and the duration of the first t-5/4 stage crucially depend on the Langevin friction parameter γ. All results are also relevant for the early time regime of entangled melts. These slow relaxations of the c.m. VAF, thus account for the anomalous subdiffusive regime of the c.m. mean square displacement widely observed in numerical and experimental works.

  7. Arctic climate and its interaction with lower latitudes under different levels of anthropogenic warming in a global coupled climate model

    Science.gov (United States)

    Koenigk, Torben; Brodeau, Laurent

    2016-09-01

    Three quasi-equilibrium simulations using constant greenhouse gas forcing corresponding to years 2000, 2015 and 2030 have been performed with the global coupled model EC-Earth in order to analyze the Arctic climate and interactions with lower latitudes under different levels of anthropogenic warming. The model simulations indicate an accelerated warming and ice extent reduction in the Arctic between the year-2030 and year-2015 simulations compared to the change between the year-2015 and year-2000 simulations. Both Arctic warming and sea ice reduction are closely linked to the increase of ocean heat transport into the Arctic, particularly through the Barents Sea Opening. Decadal variations of Arctic sea ice extent and ice volume are of the same order of magnitude as the observed ice extent reductions in the last 30 years and are dominated by the variability of the ocean heat transports through the Barents Sea Opening and the Bering Strait. Despite a general warming of mid and high northern latitudes, a substantial cooling is found in the subpolar gyre of the North Atlantic under year-2015 and year-2030 conditions. This cooling is related to a strong reduction in the AMOC, itself due to reduced deep water formation in the Labrador Sea. The observed trend towards a more negative phase of the North Atlantic Oscillation (NAO) and the observed linkage between autumn Arctic ice variations and NAO are reproduced in our model simulations for selected 30-year periods but are not robust over longer time periods. This indicates that the observed linkages between ice and NAO might not be robust in reality either, and that the observational time period is still too short to reliably separate the trend from the natural variability.

  8. On the multiscale nature of soil moisture-temperature couplings: the role of seasonality, causation and non-linear feedbacks in land-atmosphere interactions (Invited)

    Science.gov (United States)

    Molini, A.; Casagrande, E.; Mueller, B.

    2013-12-01

    Land-Atmosphere (L-A) interactions, their strength and directionality, are one of the main sources of uncertainty in current climate modeling, with strong implications on the accurate assessment of future climate variability and climate change impacts. Beside from the scarcity of direct observations, major uncertainties derive from the inherent complexity and nonlinearity of these interactions, and from their multi-scale character. Statistical analysis of L-A couplings is traditionally based on linear correlation methods and metrics. However, these approaches are not designed to detect causal connections or non-linear couplings and they poorly perform in presence of non-stationarities. Additionally these methods assess L-A couplings essentially in the time domain, despite the fact that L-A dynamical drivers can act simultaneously over a wide range of different space and time scales. This talk explores the multi-scale nature of L-A interactions, through the example of soil moisture-temperature couplings and soil-moisture memory effects. In several regions of the world, soil moisture can have a dampening effect on temperature due to evaporative cooling. By using spectral decomposition techniques and both newly developed satellite based products and re-analysis, we analyze the contribution of different time scales to the build-up of global soil moisture-temperature coupling hot spots, addressing at the same time the role of seasonality, causation and non-linear feedbacks in land-atmosphere interactions. Finally we focus on the role of fine (sub-monthly) time scales and their interplay with the seasonal scales.

  9. Quantifying Environmental Effects on the Decay of Hole Transfer Couplings in Biosystems.

    Science.gov (United States)

    Ramos, Pablo; Pavanello, Michele

    2014-06-10

    In the past two decades, many research groups worldwide have tried to understand and categorize simple regimes in the charge transfer of such biological systems as DNA. Theoretically speaking, the lack of exact theories for electron-nuclear dynamics on one side and poor quality of the parameters needed by model Hamiltonians and nonadiabatic dynamics alike (such as couplings and site energies) on the other are the two main difficulties for an appropriate description of the charge transfer phenomena. In this work, we present an application of a previously benchmarked and linear-scaling subsystem density functional theory (DFT) method for the calculation of couplings, site energies, and superexchange decay factors (β) of several biological donor-acceptor dyads, as well as double stranded DNA oligomers composed of up to five base pairs. The calculations are all-electron and provide a clear view of the role of the environment on superexchange couplings in DNA-they follow experimental trends and confirm previous semiempirical calculations. The subsystem DFT method is proven to be an excellent tool for long-range, bridge-mediated coupling and site energy calculations of embedded molecular systems.

  10. From near-field to far-field coupling in the third dimension: retarded interaction of particle plasmons.

    Science.gov (United States)

    Taubert, Richard; Ameling, Ralf; Weiss, Thomas; Christ, André; Giessen, Harald

    2011-10-12

    We study the transition from the near-field to the far-field coupling regime of particle plasmons in a three-dimensional geometry. In the far-field regime, retardation plays the dominant role and the plasmonic resonances are radiatively coupled. When the spatial arrangement of the oscillators is matched to their resonance wavelength, superradiant-like effects are observed.

  11. Electron spin polarization transfer to the charge-separated state from locally excited triplet configuration: theory and its application to characterization of geometry and electronic coupling in the electron donor-acceptor system.

    Science.gov (United States)

    Kobori, Yasuhiro; Fuki, Masaaki; Murai, Hisao

    2010-11-18

    We present a theoretical model of analysis of the time-resolved electron paramagnetic resonance (TREPR) spectrum of the charge-separated (CS) state generated by the photoinduced electron transfer (ET) reaction via the locally excited triplet state in an electron donor-acceptor (D-A) system with a fixed molecular orientation. We show, by the stochastic-Liouville equation, that chemically induced dynamic electron polarization (CIDEP) of the triplet mechanism is explained by lack of transfer of quantum coherence terms in the primary triplet spin state, resulting in net emissive or absorptive electron spin polarization (ESP) which is dependent on anisotropy of the singlet-triplet intersystem crossing in the precursor excited state. This disappearance of the coherence is clearly shown to occur when the photoinduced ET rate is smaller than the angular frequency of the Zeeman splitting: the transferred coherence terms are averaged to be zero due to effective quantum oscillations during the time that the chemical reaction proceeds. The above theory has been applied to elucidate the molecular geometries and spin-spin exchange interactions (2J) of the CS states for both folded and extended conformers by computer simulations of TREPR spectra of the zinc porphyrin-fullerene dyad (ZnP-C(60)) bridged by diphenyldisilane. On the extended conformation, the electronic coupling is estimated from the 2J value. It has been revealed that the coupling term is smaller than the reported electronic interactions of the porphyrin-C(60) systems bridged by diphenylamide spacers. The difference in the electronic couplings has been explained by the difference in the LUMO levels of the bridge moieties that mediate the superexchange coupling for the long-range ET reaction.

  12. Structure-Function Analyses of the Interactions between Rab11 and Rab14 Small GTPases with Their Shared Effector Rab Coupling Protein (RCP)*

    Science.gov (United States)

    Lall, Patrick; Lindsay, Andrew J.; Hanscom, Sara; Kecman, Tea; Taglauer, Elizabeth S.; McVeigh, Una M.; Franklin, Edward; McCaffrey, Mary W.; Khan, Amir R.

    2015-01-01

    Rab GTPases recruit effector proteins, via their GTP-dependent switch regions, to distinct subcellular compartments. Rab11 and Rab25 are closely related small GTPases that bind to common effectors termed the Rab11 family of interacting proteins (FIPs). The FIPs are organized into two subclasses (class I and class II) based on sequence and domain organization, and both subclasses contain a highly conserved Rab-binding domain at their C termini. Yeast two-hybrid and biochemical studies have revealed that the more distantly related Rab14 also interacts with class I FIPs. Here, we perform detailed structural, thermodynamic, and cellular analyses of the interactions between Rab14 and one of the class I FIPs, the Rab-coupling protein (RCP), to clarify the molecular aspects of the interaction. We find that Rab14 indeed binds to RCP, albeit with reduced affinity relative to conventional Rab11-FIP and Rab25-FIP complexes. However, in vivo, Rab11 recruits RCP onto biological membranes. Furthermore, biophysical analyses reveal a noncanonical 1:2 stoichiometry between Rab14-RCP in dilute solutions, in contrast to Rab11/25 complexes. The structure of Rab14-RCP reveals that Rab14 interacts with the canonical Rab-binding domain and also provides insight into the unusual properties of the complex. Finally, we show that both the Rab coupling protein and Rab14 function in neuritogenesis. PMID:26032412

  13. Structure-Function Analyses of the Interactions between Rab11 and Rab14 Small GTPases with Their Shared Effector Rab Coupling Protein (RCP).

    Science.gov (United States)

    Lall, Patrick; Lindsay, Andrew J; Hanscom, Sara; Kecman, Tea; Taglauer, Elizabeth S; McVeigh, Una M; Franklin, Edward; McCaffrey, Mary W; Khan, Amir R

    2015-07-24

    Rab GTPases recruit effector proteins, via their GTP-dependent switch regions, to distinct subcellular compartments. Rab11 and Rab25 are closely related small GTPases that bind to common effectors termed the Rab11 family of interacting proteins (FIPs). The FIPs are organized into two subclasses (class I and class II) based on sequence and domain organization, and both subclasses contain a highly conserved Rab-binding domain at their C termini. Yeast two-hybrid and biochemical studies have revealed that the more distantly related Rab14 also interacts with class I FIPs. Here, we perform detailed structural, thermodynamic, and cellular analyses of the interactions between Rab14 and one of the class I FIPs, the Rab-coupling protein (RCP), to clarify the molecular aspects of the interaction. We find that Rab14 indeed binds to RCP, albeit with reduced affinity relative to conventional Rab11-FIP and Rab25-FIP complexes. However, in vivo, Rab11 recruits RCP onto biological membranes. Furthermore, biophysical analyses reveal a noncanonical 1:2 stoichiometry between Rab14-RCP in dilute solutions, in contrast to Rab11/25 complexes. The structure of Rab14-RCP reveals that Rab14 interacts with the canonical Rab-binding domain and also provides insight into the unusual properties of the complex. Finally, we show that both the Rab coupling protein and Rab14 function in neuritogenesis.

  14. Spin-lattice coupling in iron jarosite

    Energy Technology Data Exchange (ETDEWEB)

    Buurma, A.J.C.; Handayani, I.P. [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen (Netherlands); Mufti, N. [Max Planck Institute for Chemical Physics of Solids, Noethnitzer Str. 40, 01187 Dresden (Germany); Blake, G.R.; Loosdrecht, P.H.M. van [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen (Netherlands); Palstra, T.T.M., E-mail: t.t.m.palstra@rug.nl [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen (Netherlands)

    2012-11-15

    We have studied the magnetoelectric coupling of the frustrated triangular antiferromagnet iron jarosite using Raman spectroscopy, dielectric measurements and specific heat. Temperature dependent capacitance measurements show an anomaly in the dielectric constant at T{sub N}. Specific heat data indicate the presence of a low frequency Einstein mode at low temperature. Raman spectroscopy confirms the presence of a new mode below T{sub N} that can be attributed to folding of the Brillouin zone. This mode shifts and sharpens below T{sub N}. We evaluate the strength of the magnetoelectric coupling using the symmetry unrestricted biquadratic magnetoelectric terms in the free energy. - Graphical abstract: Sketch of two connected triangles formed by Fe{sup 3+} spins (red arrows) in the hexagonal basal plane of potassium iron jarosite. An applied magnetic field (H) below the antiferromagnetic ordering temperature induces shifts of the hydroxy ligands, giving rise to local electrical dipole moments (blue arrows). These electric displacements cancel out in pairwise fashion by symmetry. Ligand shifts are confined to the plane and shown by shadowing. Highlights: Black-Right-Pointing-Pointer Evidence has been found for spin-lattice coupling in iron jarosite. Black-Right-Pointing-Pointer A new optical Raman mode appears below T{sub N} and shifts with temperature. Black-Right-Pointing-Pointer The magnetodielectric coupling is mediated by superexchange. Black-Right-Pointing-Pointer Symmetry of Kagome magnetic lattice causes local electrical dipole moments to cancel.

  15. Coupling strength versus coupling impact in nonidentical bidirectionally coupled dynamics

    Science.gov (United States)

    Laiou, Petroula; Andrzejak, Ralph G.

    2017-01-01

    The understanding of interacting dynamics is important for the characterization of real-world networks. In general, real-world networks are heterogeneous in the sense that each node of the network is a dynamics with different properties. For coupled nonidentical dynamics symmetric interactions are not straightforwardly defined from the coupling strength values. Thus, a challenging issue is whether we can define a symmetric interaction in this asymmetric setting. To address this problem we introduce the notion of the coupling impact. The coupling impact considers not only the coupling strength but also the energy of the individual dynamics, which is conveyed via the coupling. To illustrate this concept, we follow a data-driven approach by analyzing signals from pairs of coupled model dynamics using two different connectivity measures. We find that the coupling impact, but not the coupling strength, correctly detects a symmetric interaction between pairs of coupled dynamics regardless of their degree of asymmetry. Therefore, this approach allows us to reveal the real impact that one dynamics has on the other and hence to define symmetric interactions in pairs of nonidentical dynamics.

  16. Land-atmosphere interactions in an high resolution atmospheric simulation coupled with a surface data assimilation scheme

    Directory of Open Access Journals (Sweden)

    L. Campo

    2009-09-01

    Full Text Available A valid tool for the retrieving of the turbulent fluxes that characterize the surface energy budget is constituted by the remote sensing of land surface states. In this study sequences of satellite-derived observations (from SEVIRI sensors aboard the Meteosat Second Generation of Land Surface Temperature have been used as input in a data assimilation scheme in order to retrieve parameters that describe energy balance at the ground surface in the Tuscany region, in central Italy, during summer 2005. A parsimonious 1-D multiscale variational assimilation procedure has been followed, that requires also near surface meteorological observations. A simplified model of the surface energy balance that includes such assimilation scheme has been coupled with the limited area atmospheric model RAMS, in order to improve in the latter the accuracy of the energy budget at the surface. The coupling has been realized replacing the assimilation scheme products, in terms of surface turbulent fluxes and temperature and humidity states during the meteorological simulation. Comparisons between meteorological model results with and without coupling with the assimilation scheme are discussed, both in terms of reconstruction of surface variables and of vertical characterization of the lower atmosphere. In particular, the effects of the coupling on the moisture feedback between surface and atmosphere are considered and estimates of the precipitation recycling ratio are provided. The results of the coupling experiment showed improvements in the reconstruction of the surface states by the atmospheric model and considerable influence on the atmospheric dynamics.

  17. Effect of Cross-Interaction between Ni and Cu on Growth Kinetics of Intermetallic Compounds in Ni/Sn/Cu Diffusion Couples during Aging

    Science.gov (United States)

    Hong, K. K.; Ryu, J. B.; Park, C. Y.; Huh, J. Y.

    2008-01-01

    The solid-state, cross-interaction between the Ni layer on the component side and the Cu pad on the printed circuit board (PCB) side in ball grid array (BGA) solder joints was investigated by employing Ni(15 μm)/Sn(65 μm)/Cu ternary diffusion couples. The ternary diffusion couples were prepared by sequentially electroplating Sn and Ni on a Cu foil and were aged isothermally at 150, 180, and 200°C. The growth of the intermetallic compound (IMC) layer on the Ni side was coupled with that on the Cu side by the mass flux across the Sn layer that was caused by the difference in the Ni content between the (Cu1- x Ni x )6Sn5 layer on the Ni side and the (Cu1- y Ni y )6Sn5 layer on the Cu side. As the consequence of the coupling, the growth rate of the (Cu1- x Ni x )6 Sn5 layer on the Ni side was rapidly accelerated by decreasing Sn layer thickness and increasing aging temperature. Owing to the cross-interaction with the top Ni layer, the growth rate of the (Cu1- y Ni y )6Sn5 layer on the Cu side was accelerated at 150°C and 180°C but was retarded at 200°C, while the growth rate of the Cu3Sn layer was always retarded. The growth kinetic model proposed in an attempt to interpret the experimental results was able to reproduce qualitatively all of the important experimental observations pertaining to the growth of the IMC layers in the Ni/Sn/Cu diffusion couple.

  18. Activation of G Protein-Coupled Receptor Kinase 1 Involves Interactions between Its N-Terminal Region and Its Kinase Domain

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Chih-chin; Orban, Tivadar; Jastrzebska, Beata; Palczewski, Krzysztof; Tesmer, John J.G. (Case Western); (Michigan)

    2012-03-16

    G protein-coupled receptor kinases (GRKs) phosphorylate activated G protein-coupled receptors (GPCRs) to initiate receptor desensitization. In addition to the canonical phosphoacceptor site of the kinase domain, activated receptors bind to a distinct docking site that confers higher affinity and activates GRKs allosterically. Recent mutagenesis and structural studies support a model in which receptor docking activates a GRK by stabilizing the interaction of its 20-amino acid N-terminal region with the kinase domain. This interaction in turn stabilizes a closed, more active conformation of the enzyme. To investigate the importance of this interaction for the process of GRK activation, we first validated the functionality of the N-terminal region in rhodopsin kinase (GRK1) by site-directed mutagenesis and then introduced a disulfide bond to cross-link the N-terminal region of GRK1 with its specific binding site on the kinase domain. Characterization of the kinetic and biophysical properties of the cross-linked protein showed that disulfide bond formation greatly enhances the catalytic efficiency of the peptide phosphorylation, but receptor-dependent phosphorylation, Meta II stabilization, and inhibition of transducin activation were unaffected. These data indicate that the interaction of the N-terminal region with the kinase domain is important for GRK activation but does not dictate the affinity of GRKs for activated receptors.

  19. GW approach to electron-electron interactions within the Anderson impurity model: Kondo correlated quantum transport through two coupled molecules

    Science.gov (United States)

    Aksu, H.; Goker, A.

    2017-03-01

    We invoke the nonequilibrium self-consistent GW method within the Anderson impurity model to investigate the dynamical effects occurring in a nanojunction comprised of two coupled molecules. Contrary to the previous single impurity model calculations based on the GW approximation, we observe that the density of states manages to capture both the Kondo resonance and the Breit-Wigner resonances associated with the HOMO and LUMO levels of the molecule. Moreover, the prominence of the Kondo resonance grows dramatically upon switching from the intermediate to the weak coupling regime involving large U / Γ values. The conductance is calculated as a function of the HOMO level and the applied bias across the molecular nanojunction. Calculated conductance curves deviate from the monotonic decay behaviour as a function of the bias when the half-filling condition is not met. The importance of the effect of the molecule-molecule coupling for the electron transport phenomena is also investigated.

  20. The role of ocean-atmosphere interaction in Typhoon Sinlaku (2008) using a regional coupled data assimilation system

    Science.gov (United States)

    Wada, Akiyoshi; Kunii, Masaru

    2017-05-01

    For improving analyses of tropical cyclone (TC) and sea surface temperature (SST) and thereby TC simulations, a regional mesoscale strongly coupled atmosphere-ocean data assimilation system was developed with the local ensemble transform Kalman filter (LETKF) implemented with the Japan Meteorological Agency's nonhydrostatic model (NHM) coupled with a multilayer ocean model and the third-generation ocean wave model. The NHM-LETKF coupled data assimilation system was applied to Typhoon Sinlaku (2008) along with the original NHM-LETKF system to investigate the sensitivity of Sinlaku to SST assimilation with the Level 2 Pre-processed (L2P) standard product of satellite SST. SST calculated in the coupled-assimilation experiment with the coupled data assimilation system and the satellite SST (CPL) showed a better correlation with Optimally Interpolated SST than SST used in the control experiment with the original NHM-LETKF (CNTL) and SST calculated in the succession experiment with the coupled system without satellite SST (SUCC). The time series in the CPL experiment well captured the variation in the SST observed at the Kuroshio Extension Observation buoy site. In addition, TC-induced sea surface cooling was analyzed more realistically in the CPL experiment than that in the CNTL and SUCC experiments. However, the central pressure analyzed in each three experiments was overestimated compared with the Regional Specialized Meteorological Center Tokyo best-track central pressure, mainly due to the coarse horizontal resolution of 15 km. The 96 h TC simulations indicated that the CPL experiment provided more favorable initial and boundary conditions than the CNTL experiment to simulate TC tracks more accurately.

  1. Analytical Determination of the Confinement Potential and Coupling Constant of Spin--Orbit Interactions of Electrons in Nanostructures

    CERN Document Server

    Dineykhan, M; Zhaugasheva, S A; Al Farabi Kazakh State National University. Almaty

    2005-01-01

    Multilayer nanocrystalline structure is represented by the electrostatic field inducted by total image charge, and the confinement potential for electrons is determined. Assuming that at a given distance the confinement potential is equal to the Coulomb repulsion and an interaction between electrons becomes spin-orbit, the constant of the spin-orbit interaction of electrons in nanostructures is determined. The dependence of the constant of the spin-orbit interaction on environment parameters and the distance between electrons is studied.

  2. Transport properties of a single plasmon interacting with a hybrid exciton of a metal nanoparticle-semiconductor quantum dot system coupled to a plasmonic waveguide

    Science.gov (United States)

    Kim, Nam-Chol; Ko, Myong-Chol; Choe, Song-Il; Hao, Zhong-Hua; Zhou, Li; Li, Jian-Bo; Im, Song-Jin; Ko, Yong-Hae; Jo, Chon-Gyu; Wang, Qu-Quan

    2016-11-01

    The transport properties of a single plasmon interacting with a hybrid system composed of a semiconductor quantum dot (SQD) and a metal nanoparticle (MNP) coupled to a one-dimensional surface plasmonic waveguide are investigated theoretically via the real-space approach. We considered that the MNP-SQD interaction leads to the formation of a hybrid exciton and the transmission and reflection of a single incident plasmon could be controlled by adjusting the frequency of the classical control field applied to the MNP-SQD hybrid nanosystem, the kinds of MNPs and the background media. The transport properties of a single plasmon interacting with such a hybrid nanosystem discussed here could find applications in the design of next-generation quantum devices, such as single-photon switching and nanomirrors, and in quantum information processing.

  3. Transport properties of a single plasmon interacting with a hybrid exciton of a metal nanoparticle-semiconductor quantum dot system coupled to a plasmonic waveguide.

    Science.gov (United States)

    Kim, Nam-Chol; Ko, Myong-Chol; Choe, Song-Il; Hao, Zhong-Hua; Zhou, Li; Li, Jian-Bo; Im, Song-Jin; Ko, Yong-Hae; Jo, Chon-Gyu; Wang, Qu-Quan

    2016-11-18

    The transport properties of a single plasmon interacting with a hybrid system composed of a semiconductor quantum dot (SQD) and a metal nanoparticle (MNP) coupled to a one-dimensional surface plasmonic waveguide are investigated theoretically via the real-space approach. We considered that the MNP-SQD interaction leads to the formation of a hybrid exciton and the transmission and reflection of a single incident plasmon could be controlled by adjusting the frequency of the classical control field applied to the MNP-SQD hybrid nanosystem, the kinds of MNPs and the background media. The transport properties of a single plasmon interacting with such a hybrid nanosystem discussed here could find applications in the design of next-generation quantum devices, such as single-photon switching and nanomirrors, and in quantum information processing.

  4. THE EFFECTS OF RADIATION STRESS ON WAVE HEIGHTS AND SEA LEVEL IN THE INTERACTION OF COUPLED WAVE-TIDE-SURGE IN THE COASTAL AREA

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Based on coastal high-resolution (2′×2′) coupled wave-tide-surge interaction numerical model, the effects of radiation stress on wave heights and sea level in the coastal area of Huanghe Delta were studied. By comparisons of simulated and measured wave heights and sea level for two mediately strong weather cases, it is demonstrated that the results simulated by coupled wave-tide-surge model are closer to the measured and particularly in excellent agreement in the extreme values of the wave heights and set-up. This study shows that the radiation stress can increase the wave heights maximally to 67cm and sea level to 40cm. It is also found that there are areas of over 50cm wave height increase and an area of over 20cm sea level increase in the Huanghe Delta coastal area, and this find may be very important in engineering. For this reason, it is suggested that in the practical engineering application, the coupled wave-tide-surge interaction numerical model should be prefered.

  5. A Comprehensive Analysis of Jet Quenching via a Hybrid Strong/Weak Coupling Model for Jet-Medium Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Casalderrey-Solana, Jorge [Departament d' Estructura i Constituents de la Matèria and Institut de Ciències del Cosmos (ICCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Rudolf Peierls Centre for Theoretical Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Gulhan, Doga Can [Laboratory for Nuclear Science and Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Milhano, José Guilherme [CENTRA, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, P-1049-001 Lisboa (Portugal); Physics Department, Theory Unit, CERN, CH-1211 Genève 23 (Switzerland); Pablos, Daniel [Departament d' Estructura i Constituents de la Matèria and Institut de Ciències del Cosmos (ICCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Rajagopal, Krishna [Laboratory for Nuclear Science and Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2016-12-15

    Within a hybrid strong/weak coupling model for jets in strongly coupled plasma, we explore jet modifications in ultra-relativistic heavy ion collisions. Our approach merges the perturbative dynamics of hard jet evolution with the strongly coupled dynamics which dominates the soft exchanges between the fast partons in the jet shower and the strongly coupled plasma itself. We implement this approach in a Monte Carlo, which supplements the DGLAP shower with the energy loss dynamics as dictated by holographic computations, up to a single free parameter that we fit to data. We then augment the model by incorporating the transverse momentum picked up by each parton in the shower as it propagates through the medium, at the expense of adding a second free parameter. We use this model to discuss the influence of the transverse broadening of the partons in a jet on intra-jet observables. In addition, we explore the sensitivity of such observables to the back-reaction of the plasma to the passage of the jet.

  6. A Comprehensive Analysis of Jet Quenching via a Hybrid Strong/Weak Coupling Model for Jet-Medium Interactions

    Science.gov (United States)

    Casalderrey-Solana, Jorge; Gulhan, Doga Can; Milhano, José Guilherme; Pablos, Daniel; Rajagopal, Krishna

    2016-12-01

    Within a hybrid strong/weak coupling model for jets in strongly coupled plasma, we explore jet modifications in ultra-relativistic heavy ion collisions. Our approach merges the perturbative dynamics of hard jet evolution with the strongly coupled dynamics which dominates the soft exchanges between the fast partons in the jet shower and the strongly coupled plasma itself. We implement this approach in a Monte Carlo, which supplements the DGLAP shower with the energy loss dynamics as dictated by holographic computations, up to a single free parameter that we fit to data. We then augment the model by incorporating the transverse momentum picked up by each parton in the shower as it propagates through the medium, at the expense of adding a second free parameter. We use this model to discuss the influence of the transverse broadening of the partons in a jet on intra-jet observables. In addition, we explore the sensitivity of such observables to the back-reaction of the plasma to the passage of the jet.

  7. Enhanced light-vapor interactions and all optical switching in a chip scale micro-ring resonator coupled with atomic vapor

    CERN Document Server

    Stern, Liron; Mazurski, Noa; Levy, Uriel

    2016-01-01

    The coupling of atomic and photonic resonances serves as an important tool for enhancing light-matter interactions and enables the observation of multitude of fascinating and fundamental phenomena. Here, by exploiting the platform of atomic-cladding wave guides, we experimentally demonstrate the resonant coupling of rubidium vapor and an atomic cladding micro ring resonator. Specifically, we observed cavity-atom coupling in the form of Fano resonances having a distinct dependency on the relative frequency detuning between the photonic and the atomic resonances. Moreover, we were able to significantly enhance the efficiency of all optical switching in the V-type pump-probe scheme. The coupled system of micro-ring resonator and atomic vapor is a promising building block for a variety of light vapor experiments, as it offers a very small footprint, high degree of integration and extremely strong confinement of light and vapor. As such it may be used for important applications, such as all optical switching, disp...

  8. Tunable spin-dependent Andreev reflection in a four-terminal Aharonov-Bohm interferometer with coherent indirect coupling and Rashba spin-orbit interaction.

    Science.gov (United States)

    Bai, Long; Zhang, Rong; Duan, Chen-Long

    2012-12-10

    : Using the nonequilibrium Green's function method, we theoretically study the Andreev reflection(AR) in a four-terminal Aharonov-Bohm interferometer containing a coupled double quantum dot with the Rashba spin-orbit interaction (RSOI) and the coherent indirect coupling via two ferromagnetic leads. When two ferromagnetic electrodes are in the parallel configuration, the spin-up conductance is equal to the spin-down conductance due to the absence of the RSOI. However, for the antiparallel alignment, the spin-polarized AR occurs resulting from the crossed AR (CAR) and the RSOI. The effects of the coherent indirect coupling, RSOI, and magnetic flux on the Andreev-reflected tunneling magnetoresistance are analyzed at length. The spin-related current is calculated, and a distinct swap effect emerges. Furthermore, the pure spin current can be generated due to the CAR when two ferromagnets become two half metals. It is found that the strong RSOI and the large indirect coupling are in favor of the CAR and the production of the strong spin current. The properties of the spin-related current are tunable in terms of the external parameters. Our results offer new ways to manipulate the spin-dependent transport.

  9. Study of the Pion-Nucleon Coupling Constant Charge Dependence on the Basis of the Low-Energy Data on Nucleon-Nucleon Interaction

    CERN Document Server

    Babenko, V A

    2016-01-01

    We study relationship between the physical quantities that characterize pion-nucleon and nucleon-nucleon interaction on the basis of the fact that nuclear forces in the nucleon-nucleon system at low energies are mainly determined by the one-pion exchange mechanism. By making use of the recommended proton-proton low-energy scattering parameters, we obtain the following value for the charged pion-nucleon coupling constant g$_{\\pi ^{\\pm }}^{2}/4\\pi =14.55(13)$. Calculated value of this quantity is in excellent agreement with the experimental result g$_{\\pi ^{\\pm }}^{2}/4\\pi =14.52(26)$ of the Uppsala Neutron Research Group. At the same time, the obtained value of the charged pion-nucleon coupling constant differs markedly from the value of the neutral pion-nucleon coupling constant g$_{\\pi ^{0}}^{2}/4\\pi =13.55(13)$. Thus, our results show considerable charge splitting of the pion-nucleon coupling constant.

  10. Caveolin-1 interacts with 5-HT2A serotonin receptors and profoundly modulates the signaling of selected Galphaq-coupled protein receptors.

    Science.gov (United States)

    Bhatnagar, Anushree; Sheffler, Douglas J; Kroeze, Wesley K; Compton-Toth, BethAnn; Roth, Bryan L

    2004-08-13

    5-Hydroxytryptamine 2A (5-HT(2A)) serotonin receptors are important for a variety of functions including vascular smooth muscle contraction, platelet aggregation, and the modulation of perception, cognition, and emotion. In a search for 5-HT(2A) receptor-interacting proteins, we discovered that caveolin-1 (Cav-1), a scaffolding protein enriched in caveolae, complexes with 5-HT(2A) receptors in a number of cell types including C6 glioma cells, transfected HEK-293 cells, and rat brain synaptic membrane preparations. To address the functional significance of this interaction, we performed RNA interference-mediated knockdown of Cav-1 in C6 glioma cells, a cell type that endogenously expresses both 5-HT(2A) receptors and Cav-1. We discovered that the in vitro knockdown of Cav-1 in C6 glioma cells nearly abolished 5-HT(2A) receptor-mediated signal transduction as measured by calcium flux assays. RNA interference-mediated knockdown of Cav-1 also greatly attenuated endogenous Galpha(q)-coupled P2Y purinergic receptor-mediated signaling without altering the signaling of PAR-1 thrombin receptors. Cav-1 appeared to modulate 5-HT(2A) signaling by facilitating the interaction of 5-HT(2A) receptors with Galpha(q). These studies provide compelling evidence for a prominent role of Cav-1 in regulating the functional activity of not only 5-HT(2A) serotonin receptors but also selected Galpha(q)-coupled receptors.

  11. Laser interaction based on resonance saturation (LIBORS): an alternative to inverse bremsstrahlung for coupling laser energy into a plasma.

    Science.gov (United States)

    Measures, R M; Drewell, N; Cardinal, P

    1979-06-01

    Resonance saturation represents an efficient and rapid method of coupling laser energy into a gaseous medium. In the case of a plasma superelastic collision quenching of the laser maintained resonance state population effectively converts the laser beam energy into translational energy of the free electrons. Subsequently, ionization of the laser pumped species rapidly ensues as a result of both the elevated electron temperature and the effective reduction of the ionization energy for those atoms maintained in the resonance state by the laser radiation. This method of coupling laser energy into a plasma has several advantages over inverse bremsstrahlung and could therefore be applicable to several areas of current interest including plasma channel formation for transportation of electron and ion beams, x-ray laser development, laser fusion, negative ion beam production, and the conversion of laser energy to electricity.

  12. HLW glass dissolution in the presence of magnesium carbonate: Diffusion cell experiment and coupled modeling of diffusion and geochemical interactions

    Energy Technology Data Exchange (ETDEWEB)

    Debure, Mathieu, E-mail: mathieu.debure@gmail.com [CEA Marcoule, DTCD/SECM/LCLT, BP 17171, 30207 Bagnols-sur-Cèze Cedex (France); Geosciences Dept., Mines-ParisTech, 35 Rue St-Honoré, 77305 Fontainebleau (France); De Windt, Laurent [Geosciences Dept., Mines-ParisTech, 35 Rue St-Honoré, 77305 Fontainebleau (France); Frugier, Pierre; Gin, Stéphane [CEA Marcoule, DTCD/SECM/LCLT, BP 17171, 30207 Bagnols-sur-Cèze Cedex (France)

    2013-11-15

    Highlights: •Diffusion of dissolved elements in pore water impacts nuclear glass alteration. •The glass/magnesium carbonate system has been studied in diffusion cells. •Glass alteration is enhanced by Mg–silicates precipitation but slowed down by diffusion. •Coupling between dissolution, diffusion and secondary phases controls the glass alteration. •The ability of reactive transport models to simulate the whole processes is investigated. -- Abstract: The influence of diffusion of reactive species in aqueous solutions on the alteration rate of borosilicate glass of nuclear interest in the presence of magnesium carbonate (hydromagnesite: 4MgCO{sub 3}·Mg(OH){sub 2}·4H{sub 2}O) is investigated together with the ability of coupled chemistry/transport models to simulate the processes involved. Diffusion cells in which the solids are separated by an inert stainless steel sintered filter were used to establish parameters for direct comparison with batch experiments in which solids are intimately mixed. The chemistry of the solution and solid phases was monitored over time by various analytical techniques including ICP-AES, XRD, and SEM. The primary mechanism controlling the geochemical evolution of the system remains the consumption of silicon from the glass by precipitation of magnesium silicates. The solution chemistry and the dissolution and precipitation of solid phases are correctly described by 2D modeling with the GRAAL model implemented in the HYTEC reactive transport code. The spatial symmetry of the boron concentrations in both compartments of the cells results from dissolution coupled with simple diffusion, whereas the spatial asymmetry of the silicon and magnesium concentrations is due to strong coupling between dissolution, diffusion, and precipitation of secondary phases. A sensitivity analysis on the modeling of glass alteration shows that the choice of these phases and their thermodynamic constants have only a moderate impact whereas the

  13. Global MHD simulations of Mercury's magnetosphere with coupled planetary interior: Induction effect of the planetary conducting core on the global interaction

    Science.gov (United States)

    Jia, Xianzhe; Slavin, James A.; Gombosi, Tamas I.; Daldorff, Lars K. S.; Toth, Gabor; Holst, Bart

    2015-06-01

    Mercury's comparatively weak intrinsic magnetic field and its close proximity to the Sun lead to a magnetosphere that undergoes more direct space-weathering interactions than other planets. A unique aspect of Mercury's interaction system arises from the large ratio of the scale of the planet to the scale of the magnetosphere and the presence of a large-size core composed of highly conducting material. Consequently, there is strong feedback between the planetary interior and the magnetosphere, especially under conditions of strong external forcing. Understanding the coupled solar wind-magnetosphere-interior interaction at Mercury requires not only analysis of observations but also a modeling framework that is both comprehensive and inclusive. We have developed a new global MHD model for Mercury in which the planetary interior is modeled as layers of different electrical conductivities that electromagnetically couple to the surrounding plasma environment. This new modeling capability allows us to characterize the dynamical response of Mercury to time-varying external conditions in a self-consistent manner. Comparison of our model results with observations by the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft shows that the model provides a reasonably good representation of the global magnetosphere. To demonstrate the capability to model induction effects, we have performed idealized simulations in which Mercury's magnetosphere is impacted by a solar wind pressure enhancement. Our results show that due to the induction effect, Mercury's core exerts strong global influences on the way Mercury responds to changes in the external environment, including modifying the global magnetospheric structure and affecting the extent to which the solar wind directly impacts the surface. The global MHD model presented here represents a crucial step toward establishing a modeling framework that enables self-consistent characterization of Mercury

  14. One-electron versus electron-electron interaction contributions to the spin-spin coupling mechanism in nuclear magnetic resonance spectroscopy: analysis of basic electronic effects.

    Science.gov (United States)

    Gräfenstein, Jürgen; Cremer, Dieter

    2004-12-22

    For the first time, the nuclear magnetic resonance (NMR) spin-spin coupling mechanism is decomposed into one-electron and electron-electron interaction contributions to demonstrate that spin-information transport between different orbitals is not exclusively an electron-exchange phenomenon. This is done using coupled perturbed density-functional theory in conjunction with the recently developed J-OC-PSP [=J-OC-OC-PSP: Decomposition of J into orbital contributions using orbital currents and partial spin polarization)] method. One-orbital contributions comprise Ramsey response and self-exchange effects and the two-orbital contributions describe first-order delocalization and steric exchange. The two-orbital effects can be characterized as external orbital, echo, and spin transport contributions. A relationship of these electronic effects to zeroth-order orbital theory is demonstrated and their sign and magnitude predicted using simple models and graphical representations of first order orbitals. In the case of methane the two NMR spin-spin coupling constants result from totally different Fermi contact coupling mechanisms. (1)J(C,H) is the result of the Ramsey response and the self-exchange of the bond orbital diminished by external first-order delocalization external one-orbital effects whereas (2)J(H,H) spin-spin coupling is almost exclusively mitigated by a two-orbital steric exchange effect. From this analysis, a series of prediction can be made how geometrical deformations, electron lone pairs, and substituent effects lead to a change in the values of (1)J(C,H) and (2)J(H,H), respectively, for hydrocarbons.

  15. The entanglement evolution of two coupling two-level atoms interacting with a single-mode vacuum field in multiphoton Tavis-Cummings model%The entanglement evolution of two coupling two-level atoms interacting with a single-mode vacuum field in multiphoton Tavis-Cummings model

    Institute of Scientific and Technical Information of China (English)

    Lu Daoming

    2012-01-01

    Using multipohton Tavis-Cummings model, the entanglement evolution of two coupling two-level atoms in Bell states interacting with a single-mode vacuum field is investigated by using negativity. The influences of coupling constants between atoms, the atomic initial states and the photon number of transition on the entanglement evolution of two coupling two-level atoms are discussed. The results obtained using the numerical method show that the entanglement of two atoms is related with coupling constants between atoms, the atomic initial states and the photon number of transition. The two-atom entanglement state will forever stay in the maximum entanglement state when the initial state is |β11 〉 . When the initial state of two atoms is |β 01 〉, the entanglement of two atoms displays periodic oscillation behavior. And its oscillation period decreases with increasing of coupling constant between atoms or the photon number of transition. On the other hand, when the initial state is |β 00 〉 or |β10 ), the entanglement of two atoms displays quasiperiodic oscillation behavior and its oscillation period decreases with increasing of coupling constant between atoms or the photon number of transition.

  16. Interaction between Polyketide Synthase and Transporter Suggests Coupled Synthesis and Export of Virulence Lipid in M. tuberculosis.

    Directory of Open Access Journals (Sweden)

    2005-09-01

    Full Text Available Virulent mycobacteria utilize surface-exposed polyketides to interact with host cells, but the mechanism by which these hydrophobic molecules are transported across the cell envelope to the surface of the bacteria is poorly understood. Phthiocerol dimycocerosate (PDIM, a surface-exposed polyketide lipid necessary for Mycobacterium tuberculosis virulence, is the product of several polyketide synthases including PpsE. Transport of PDIM requires MmpL7, a member of the MmpL family of RND permeases. Here we show that a domain of MmpL7 biochemically interacts with PpsE, the first report of an interaction between a biosynthetic enzyme and its cognate transporter. Overexpression of the interaction domain of MmpL7 acts as a dominant negative to PDIM synthesis by poisoning the interaction between synthase and transporter. This suggests that MmpL7 acts in complex with the synthesis machinery to efficiently transport PDIM across the cell membrane. Coordination of synthesis and transport may not only be a feature of MmpL-mediated transport in M. tuberculosis, but may also represent a general mechanism of polyketide export in many different microorganisms.

  17. An accelerated, fully-coupled, parallel 3D hybrid finite-volume fluid–structure interaction scheme

    CSIR Research Space (South Africa)

    Malan, AG

    2012-09-01

    Full Text Available . This is such that both dynamic and kinematic continuity ? i.e. continuity of forces and velocities ? are satisfied at the fluid/solid interface. So-called monolithic methods ensure this by solving the entire coupled system [22, 23, 24]. Partitioned solvers...?j ). (3) Here, S(t) denotes the surface of the volume V(t) with n being a unit vector normal to S(t); Q is a vector of source terms (e.g. body forces), u denotes velocity, p is the pressure, ? is density, ? stress, and ?ij is the Kronecker delta...

  18. Identification of a novel protein-protein interaction motif mediating interaction of GPCR-associated sorting proteins with G protein-coupled receptors

    DEFF Research Database (Denmark)

    Bornert, Olivier; Møller, Thor Christian; Boeuf, Julien

    2013-01-01

    GPCR desensitization and down-regulation are considered key molecular events underlying the development of tolerance in vivo. Among the many regulatory proteins that are involved in these complex processes, GASP-1 have been shown to participate to the sorting of several receptors toward the degra......GPCR desensitization and down-regulation are considered key molecular events underlying the development of tolerance in vivo. Among the many regulatory proteins that are involved in these complex processes, GASP-1 have been shown to participate to the sorting of several receptors toward...... the degradation pathway. This protein belongs to the recently identified GPCR-associated sorting proteins (GASPs) family that comprises ten members for which structural and functional details are poorly documented. We present here a detailed structure-function relationship analysis of the molecular interaction...... between GASPs and a panel of GPCRs. In a first step, GST-pull down experiments revealed that all the tested GASPs display significant interactions with a wide range of GPCRs. Importantly, the different GASP members exhibiting the strongest interaction properties were also characterized by the presence...

  19. Quantum and thermal ionic motion, oxygen isotope effect, and superexchange distribution in La2CuO4

    DEFF Research Database (Denmark)

    Haefliger, P. S.; Gerber, S.; Pramod, R.

    2014-01-01

    We study the zero-point and thermal ionic motion in La2CuO4 by means of high-resolution neutron-diffraction experiments. Our results demonstrate anisotropic motion of O and, to a lesser extent, Cu ions, both consistent with the structure of coupled CuO6 octahedra, and quantify the relative effect...

  20. Spin coupling and magnetic field effects on the finite-size free energy and its non-extensivity for 1-D Ising model with nearest and next-nearest neighbor interactions in nanosystem

    Science.gov (United States)

    Taherkhani, Farid; Abroshan, Hadi; Akbarzadeh, Hamed; Fortunelli, Alessandro

    2012-07-01

    The effects of second-neighbor spin coupling interactions and a magnetic field are investigated on the free energies of a finite-size 1-D Ising model. For both ferromagnetic of nearest neighbor (NN) and next-nearest neighbor (NNN) spin coupling interactions, the finite-size free energy first increases and then approaches a constant value for any size of the spin chain. In contrast, when NNN and NN spin coupling interactions are antiferromagnetic and ferromagnetic, respectively, the finite-size free energy gradually decreases by increasing the competition factor and eventually vanishes for large values of it. When a magnetic field is applied, the finite-size free energy decreases with respect to the case of zero magnetic fields for both ferromagnetic and antiferromagnetic spin coupling interactions. Deviation of free energy per size for finite-size systems relative to the infinite system increases when the spin coupling interactions as well as the f parameter (the ratio of the magnetic field to NN spin coupling interaction) increase.

  1. Climate-vegetation interactions in the coupled RegCM4 - CLM4.5 CNDV model

    Science.gov (United States)

    Caporaso, Luca; Giuliani, Graziano; Giorgi, Filippo

    2016-04-01

    We use the latest version of International Center for Theoretical Physics (ICTP) regional climate model (RegCM4) coupled with the Community Land Model version 4.5 (CLM4.5) including a dynamic vegetation model to study biogeophysical feedbacks in the climate system related to vegetation composition and structure. Sets of parallel experiments are conducted over the Africa and South America CORDEX domains using the RegCM4-CLM4.5 in its standard configuration and with the CNDV activated (CLM 4.5 with both the Carbon Nitrogen and the Dynamic Vegetation Model activated). The potential role of regional vegetation feedbacks within the climate system and the impact of climate variability and change on the ecosystem dynamics is assessed for both domains. In addition, the sensitivity to initial vegetation conditions and different idealized climate forcings is investigated. Preliminary results show that the changes in the climate forcing can have substantial effects on the dynamics and evolution of different vegetation types over both domains, and that the vegetation coupling can have a substantial effect on the simulated regional climate regimes. Our results thus indicate on the one hand that climate change can have profound effects on the evolution of important ecosystems for the two regions, and on the other that vegetation dynamics can indeed affect the climate response at the regional scale.

  2. Fluxes of lactate into, from, and among gap junction-coupled astrocytes and their interaction with noradrenaline

    Directory of Open Access Journals (Sweden)

    Leif eHertz

    2014-09-01

    Full Text Available Lactate is a versatile metabolite with important roles in modulation of brain glucose utilization rate (CMRglc, diagnosis of brain-injured patients, redox- and receptor-mediated signaling, memory, and alteration of gene transcription. Neurons and astrocytes release and accumulate lactate using equilibrative monocarboxylate transporters that carry out net transmembrane transport of lactate only until intra- and extracellular levels reach equilibrium. Astrocytes have much faster lactate uptake than neurons and shuttle more lactate among gap junction-coupled astrocytes than to nearby neurons. Lactate diffusion within syncytia can provide precursors for oxidative metabolism and glutamate synthesis and facilitate its release from endfeet to perivascular space to stimulate blood flow. Lactate efflux from brain during activation underlies the large underestimation of CMRglc with labeled glucose and fall in CMRO2/CMRglc ratio. Receptor-mediated effects of lactate on locus coeruleus neurons include noradrenaline release in cerebral cortex and c-AMP-mediated stimulation of astrocytic gap junctional coupling, thereby enhancing its dispersal and release from brain. Lactate transport is essential for its multifunctional roles.

  3. One-dimensional lattice of oscillators coupled through power-law interactions: Continuum limit and dynamics of spatial Fourier modes

    NARCIS (Netherlands)

    Gupta, S.; Potters, M.G.; Ruffo, S.

    2012-01-01

    We study synchronization in a system of phase-only oscillators residing on the sites of a one-dimensional periodic lattice. The oscillators interact with a strength that decays as a power law of the separation along the lattice length and is normalized by a size-dependent constant. The exponent α of

  4. Factors controlling the mode of rift interaction in brittle-ductile coupled systems: A 3D numerical study

    NARCIS (Netherlands)

    Allken, V.; Huismans, R.S.; Thieulot, C.

    2012-01-01

    The way individual faults and rift segments link up is a fundamental aspect of lithosphere extension and continental break-up. Little is known however about the factors that control the selection of the different modes of rift interaction observed in nature. Here we use state-of-the-art large deform

  5. One-electron properties and electrostatic interaction energies from the expectation value expression and wave function of singles and doubles coupled cluster theory.

    Science.gov (United States)

    Korona, Tatiana; Jeziorski, Bogumil

    2006-11-14

    One-electron density matrices resulting from the explicitly connected commutator expansion of the expectation value were implemented at the singles and doubles coupled cluster (CCSD) level. In the proposed approach the one-electron density matrix is obtained at a little extra cost in comparison to the calculation of the CCSD correlation energy. Therefore, in terms of the computational time the new method is significantly less demanding than the conventional linear-response CCSD theory which requires additionally an expensive calculation of the left-hand solution of the CCSD equations. The quality of the new density matrices was investigated by computing a set of one-electron properties for a series of molecules of varying sizes and comparing the results with data obtained using the full configuration interaction method or higher level coupled cluster theory. It has been found that the results obtained using the new approach are of the same quality as those predicted by the linear-response CCSD method. The novel one-electron density matrices have also been applied to study the energy of the electrostatic interaction for a number of van der Waals complexes, including the benzene and azulene dimers.

  6. The influence of starch oxidization and aluminate coupling agent on interfacial interaction, rheological behavior, mechanical and thermal properties of poly(propylene carbonate)/starch blends

    Science.gov (United States)

    Jiang, Guo; Zhang, Shui-Dong; Huang, Han-Xiong; The Key Laboratory of Polymer Processing Engineering of the Ministry of Education Team

    Poly(propylene carbonate) (PPC) is a kind of new biodegradable polymer that is synthesized by copolymerization of propylene oxide and carbon dioxide. In this work, PPC end-capped with maleic anhydride (PPCMA)/thermoplastic starch (TPS), PPCMA/thermoplastic oxidized starch (TPOS) and PPCMA/AL-TPOS (TPOS modified by aluminate coupling agent) blends were prepared by melt blending to improve its thermal and mechanical properties. FTIR results showed that there existed hydrogen-bonding interaction between PPCMA and starch. SEM observation revealed that the compatibility between PPCMA and TPOS was improved by the oxidation of starch. The enhanced interfacial interactions between PPCMA and TPOS led to a better performance of PPC blends such as storage modulus (G'), loss modulus (G''), complex viscosity (η*), tensile strength and thermal properties. Furthermore, the modification of TPOS by aluminate coupling agent (AL) facilitated the dispersion of oxidized starch in PPC matrix, and resulted in increasing the tensile strength and thermal stability. National Natural Science Foundation of China, National Science Fund of Guangdong Province.

  7. MIDAS prototype Multispectral Interactive Digital Analysis System for large area earth resources surveys. Volume 2: Charge coupled device investigation

    Science.gov (United States)

    Kriegler, F.; Marshall, R.; Sternberg, S.

    1976-01-01

    MIDAS is a third-generation, fast, low cost, multispectral recognition system able to keep pace with the large quantity and high rates of data acquisition from large regions with present and projected sensors. MIDAS, for example, can process a complete ERTS frame in forty seconds and provide a color map of sixteen constituent categories in a few minutes. A principal objective of the MIDAS Program is to provide a system well interfaced with the human operator and thus to obtain large overall reductions in turn-around time and significant gains in throughput. The need for advanced onboard spacecraft processing of remotely sensed data is stated and approaches to this problem are described which are feasible through the use of charge coupled devices. Tentative mechanizations for the required processing operations are given in large block form. These initial designs can serve as a guide to circuit/system designers.

  8. Coupling auto trophic in vitro plant cultivation system to scanning electron microscope to study plant-fungal interactions

    Energy Technology Data Exchange (ETDEWEB)

    Jaeger, N. de; Decock, C.; Declereck, S.; Providencia, I. E. de la

    2010-07-01

    The interactions of plants with pathogens and beneficial micro-organisms have been seldom compared on the same host and under strict controlled auto trophic in vitro culture conditions. Here, the life cycle of two plant beneficial (Glomus sp. MUCL 41833 and Trichoderma harzianum) and one plant pathogen (Rhizoctonia solani) fungi were described on potato (Solanum tuberosum) plantlets under auto trophic in vitro culture conditions using video camera imaging and the scanning electron microscope (SEM). (i) The colony developmental pattern of the extraradical mycelium within the substrate, (ii) the reproduction structures and (iii) the three-dimensional spatial arrangements of the fungal hyphae within the potato root cells were successfully visualized, monitored and described. The combination of the autotrophic in vitro culture system and SEM represent a powerful tool for improving our knowledge on the dynamics of plant-fungal interactions. (Author) 41 refs.

  9. Coupling Analysis of Fluid-Structure Interaction and Flow Erosion of Gas-Solid Flow in Elbow Pipe

    OpenAIRE

    Hongjun Zhu; Hongnan Zhao; Qian Pan; Xue Li

    2014-01-01

    A numerical simulation has been conducted to investigate flow erosion and pipe deformation of elbow in gas-solid two-phase flow. The motion of the continuous fluid phase is captured based on calculating three-dimensional Reynolds-averaged-Navier-Stokes (RANS) equations, while the kinematics and trajectory of the discrete particles are evaluated by discrete phase model (DPM), and a fluid-structure interaction (FSI) computational model is adopted to calculate the pipe deformation. The effects o...

  10. INTERACT

    DEFF Research Database (Denmark)

    Jochum, Elizabeth; Borggreen, Gunhild; Murphey, TD

    This paper considers the impact of visual art and performance on robotics and human-computer interaction and outlines a research project that combines puppetry and live performance with robotics. Kinesics—communication through movement—is the foundation of many theatre and performance traditions...... interaction between a human operator and an artificial actor or agent. We can apply insights from puppetry to develop culturally-aware robots. Here we describe the development of a robotic marionette theatre wherein robotic controllers assume the role of human puppeteers. The system has been built, tested...

  11. Static and dynamic properties of interacting spin-1 bosons in an optical lattice

    Science.gov (United States)

    Natu, Stefan S.; Pixley, J. H.; Das Sarma, S.

    2015-04-01

    We study the physics of interacting spin-1 bosons in an optical lattice using a variational Gutzwiller technique. We compute the mean-field ground state wave function and discuss the evolution of the condensate, spin, nematic, and singlet order parameters across the superfluid-Mott transition. We then extend the Gutzwiller method to derive the equations governing the dynamics of low energy excitations in the lattice. Linearizing these equations, we compute the excitation spectra in the superfluid and Mott phases for both ferromagnetic and antiferromagnetic spin-spin interactions. In the superfluid phase, we recover the known excitation spectrum obtained from Bogoliubov theory. In the nematic Mott phase, we obtain gapped, quadratically dispersing particle and hole-like collective modes, whereas in the singlet Mott phase, we obtain a nondispersive gapped mode, corresponding to the breaking of a singlet pair. For the ferromagnetic Mott insulator, the Gutzwiller mean-field theory only yields particle-hole-like modes but no Goldstone mode associated with long-range spin order. To overcome this limitation, we supplement the Gutzwiller theory with a Schwinger boson mean-field theory which captures superexchange-driven fluctuations. In addition to the gapped particle-hole-like modes, we obtain a gapless quadratically dispersing ferromagnetic spin-wave Goldstone mode. We discuss the evolution of the singlet gap, particle-hole gap, and the effective mass of the ferromagnetic Goldstone mode as the superfluid-Mott phase boundary is approached from the insulating side. We discuss the relevance and validity of Gutzwiller mean-field theories to spinful systems, and potential extensions of this framework to include more exotic physics which appears in the presence of spin-orbit coupling or artificial gauge fields.

  12. Conversation, coupling and complexity

    DEFF Research Database (Denmark)

    Fusaroli, Riccardo; Abney, Drew; Bahrami, Bahador;

    We investigate the linguistic co-construction of interpersonal synergies. By applying a measure of coupling between complex systems to an experimentally elicited corpus of joint decision dialogues, we show that interlocutors’ linguistic behavior displays increasing signature of multi-scale coupling......, known as complexity matching, over the course of interaction. Furthermore, we show that stronger coupling corresponds with more effective interaction, as measured by collective task performance....

  13. Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2016-01-01

    The key role of small-scale processes like molecular diffusion and electrochemical migration has been increasingly recognized in multicomponent reactive transport in saturated porous media. In this study, we propose a two-dimensional multicomponent reactive transport model taking into account...... the electrostatic interactions during transport of charged ions in physically and chemically heterogeneous porous media. The modeling approach is based on the local charge balance and on the description of compound-specific and spatially variable diffusive/dispersive fluxes. The multicomponent ionic transport code...

  14. The interaction of proteins and cells with affinity ligands covalently coupled to silicon surfaces as monitored by ellipsometry.

    Science.gov (United States)

    Mandenius, C F; Welin, S; Danielsson, B; Lundström, I; Mosbach, K

    1984-02-01

    Two methods for the chemical binding of biomolecules to silicon surfaces are described. The first method utilizes an alkyl silane and a nucleophilic reagent to join the biomolecule to the silicon surface; the second method involves crosslinking with glutaraldehyde in order to couple the biomolecule and albumin molecules, which have first been physically adsorbed. The course of binding to the silicon surface has been followed with the aid of ellipsometry. This optical measuring technique estimates the thicknesses of, e.g., organic layers, by measuring the polarization properties of a light beam before and after reflection at surfaces. The method by which the binding of a biomolecule to its corresponding affinity ligand on silicon wafers can be followed with this technique is reported. The systems studied are concanavalin A-Saccharomyces cerevisiae cells, immunoglobulin G-Staphylococcus aureus cells, and an NAD-analog-lactate dehydrogenase. With ellipsometry it was possible to assess how the incubation time and the concentration of the cells and the biomolecules added influenced the results. It was found that an increasing time of incubation and higher concentration resulted in a more complete coverage of the silicon wafer surfaces.

  15. Coupled modeling of water transport and air-droplet interaction in the electrode of a proton exchange membrane fuel cell

    Science.gov (United States)

    Esposito, Angelo; Pianese, Cesare; Guezennec, Yann G.

    In this work, an accurate and computationally fast model for liquid water transport within a proton exchange membrane fuel cell (PEMFC) electrode is developed by lumping the space-dependence of the relevant variables. Capillarity is considered as the main transport mechanism within the gas diffusion layer (GDL). The novelty of the model lies in the coupled simulation of the water transport at the interface between gas diffusion layer and gas flow channel (GFC). This is achieved with a phenomenological description of the process that allows its simulation with relative simplicity. Moreover, a detailed two-dimensional visualization of such interface is achieved via geometric simulation of water droplets formation, growth, coalescence and detachment on the surface of the GDL. The model is useful for optimization analysis oriented to both PEMFC design and balance of plant. Furthermore, the accomplishment of reduced computational time and good accuracy makes the model suitable for control strategy implementation to ensure PEM fuel cells operation within optimal electrode water content.

  16. The formation of strong-couple interactions between nitrogen-doped graphene and sulfur/lithium (poly)sulfides in lithium-sulfur batteries

    Science.gov (United States)

    Hou, Ting-Zheng; Peng, Hong-Jie; Huang, Jia-Qi; Zhang, Qiang; Li, Bo

    2015-03-01

    A lithium-sulfur battery with a very high theoretical energy density (2600 Wh kg-1) is one of the most promising candidates for next-generation energy storage devices. However, there are still many problems impeding the practical use of lithium-sulfur batteries, including the ‘shuttle effect’ and irreversible loss of active materials. Enhancing the interfacial interaction between the carbon hosts and the sulfur-containing guests by rational nitrogen doping is an effective route. First principle calculations were performed to illustrate the adsorption behavior between sulfur/lithium (poly)sulfides and pristine/nitrogen-doped graphene nanoribbons with different edge structures. N-dopants on doped graphene nanoribbon in pyrrolic and pyridinic forms donated extra binding energies of 1.12 ˜ 1.41 eV and 0.55 ˜ 1.07 eV, respectively. Quaternary nitrogen enriched on the edge can benefit from the adsorption of active materials. Compared with pristine graphene nanoribbon, nitrogen-doped graphene nanoribbons exhibited strong-couple interactions for anchoring sulfur-containing species, achieving high stability and reversibility, which was consistent with experimental findings. These results shed light on the cathode design of lithium-sulfur batteries and on the potential to understand host--guest interactions in other energy storage systems.

  17. Aerosol-radiation-cloud interactions in a regional coupled model: the effects of convective parameterisation and resolution

    Science.gov (United States)

    Archer-Nicholls, Scott; Lowe, Douglas; Schultz, David M.; McFiggans, Gordon

    2016-05-01

    The Weather Research and Forecasting model with Chemistry (WRF-Chem) has been used to simulate a region of Brazil heavily influenced by biomass burning. Nested simulations were run at 5 and 1 km horizontal grid spacing for three case studies in September 2012. Simulations were run with and without fire emissions, convective parameterisation on the 5 km domain, and aerosol-radiation interactions in order to explore the differences attributable to the parameterisations and to better understand the aerosol direct effects and cloud responses. Direct aerosol-radiation interactions due to biomass burning aerosol resulted in a net cooling, with an average short-wave direct effect of -4.08 ± 1.53 Wm-2. However, around 21.7 Wm-2 is absorbed by aerosol in the atmospheric column, warming the atmosphere at the aerosol layer height, stabilising the column, inhibiting convection, and reducing cloud cover and precipitation. The changes to clouds due to radiatively absorbing aerosol (traditionally known as the semi-direct effects) increase the net short-wave radiation reaching the surface by reducing cloud cover, producing a secondary warming that counters the direct cooling. However, the magnitude of the semi-direct effect was found to be extremely sensitive to the model resolution and the use of convective parameterisation. Precipitation became organised in isolated convective cells when not using a convective parameterisation on the 5 km domain, reducing both total cloud cover and total precipitation. The SW semi-direct effect varied from 6.06 ± 1.46 with convective parameterisation to 3.61 ± 0.86 Wm-2 without. Convective cells within the 1 km domain are typically smaller but with greater updraft velocity than equivalent cells in the 5 km domain, reducing the proportion of the domain covered by cloud in all scenarios and producing a smaller semi-direct effect. Biomass burning (BB) aerosol particles acted as cloud condensation nuclei (CCN), increasing the droplet number

  18. ORA59 and EIN3 interaction couples jasmonate-ethylene synergistic action to antagonistic salicylic acid regulation of PDF expression.

    Science.gov (United States)

    He, Xiang; Jiang, Jishan; Wang, Chang-Quan; Dehesh, Katayoon

    2017-04-01

    Hormonal crosstalk is central for tailoring plant responses to the nature of challenges encountered. The role of antagonism between the two major defense hormones, salicylic acid (SA) and jasmonic acid (JA), and modulation of this interplay by ethylene (ET) in favor of JA signaling pathway in plant stress responses is well recognized, but the underlying mechanism is not fully understood. Here, we show the opposing function of two transcription factors, ethylene insensitive3 (EIN3) and EIN3-Like1 (EIL1), in SA-mediated suppression and JA-mediated activation of PLANT DEFENSIN1.2 (PDF1.2). This functional duality is mediated via their effect on protein, not transcript levels of the PDF1.2 transcriptional activator octadecanoid-responsive Arabidopsis59 (ORA59). Specifically, JA induces ORA59 protein levels independently of EIN3/EIL1, whereas SA reduces the protein levels dependently of EIN3/EIL1. Co-infiltration assays revealed nuclear co-localization of ORA59 and EIN3, and split-luciferase together with yeast-two-hybrid assays established their physical interaction. The functional ramification of the physical interaction is EIN3-dependent degradation of ORA59 by the 26S proteasome. These findings allude to SA-responsive reduction of ORA59 levels mediated by EIN3 binding to and targeting of ORA59 for degradation, thus nominating ORA59 pool as a coordination node for the antagonistic function of ET/JA and SA. © 2017 Institute of Botany, Chinese Academy of Sciences.

  19. Coupled photo-thermal and time resolved reflectivity methods to original investigation of laser/material nanosecond interaction

    Science.gov (United States)

    Semmar, N.; Martan, J.; Cibulka, O.; Le Menn, E.; Boulmer-Leborgne, C.

    2006-05-01

    A high number of papers were published on the simulation of laser/surface interaction at the level of nanosecond scale. Several assumptions on thermal properties data, laser spot homogeneity, were assumed for describing as well as possible the boundary conditions, the mathematical writing and finally the numerical or the analytical results. A few tentative of surface temperature monitoring during laser processing were proposed for the numerical validation. Also, simulation of the melting kinetics is rarely directly compared to in situ experiments. It is very hard to determine the time duration of a melting pool by in situ experiments. It should be the same for the surface temperature. A new method to plot the thermal history of the surface by using a combination of the Time Resolved Reflectivity (TRR) and the Pulsed Photo-Thermal (PPT) or Infrared Radiometry (IR) methods is proposed in this paper. Surface temperature, melting kinetics, threshold of melting and threshold of plasma formation are determined in the case of KrF laser spot in interaction with several materials. In the first step, the experimental setup including fast detectors (IR, UV, Vis.) and related optical devices is described. In the second step, typical results (TRR and IR spectra) for monocrystaline silicon are presented and discussed. Namely, phase change transitions (melting and resolidification) are detected versus fluence change and number of laser shots change. TRR and IR spectra of metallic surfaces (Cu, Mo, Ni, Stainless steel 15330 and 17246, Sn, Ti), are measured. For each sample the surface temperature during heating, the threshold of melting, melting duration and the threshold of plasma formation are directly deduced.

  20. Effects of coulomb repulsion on conductivity of heterojunction carbon nanotube quantum dots with spin-orbital coupling and interacting leads

    Science.gov (United States)

    Ogloblya, O. V.; Kuznietsova, H. M.; Strzhemechny, Y. M.

    2017-01-01

    We performed numerical studies for the conductance of a heterojunction carbon nanotube quantum dot (QD) with an extra spin orbital quantum number and a conventional QD in which the electron state is determined only by the spin quantum number. Our computational approach took into account the spin-orbit interaction and the Coulomb repulsion both between electrons on a QD as well as between the QD electron and the contacts. We utilized an approach based on the Keldysh non-equilibrium Green's function formalism as well as the equation of motion technique. We focused on the case of a finite Coulombic on-site repulsion and considered two possible cases of applied voltage: spin bias and conventional bias. For the system of interest we obtained bias spectroscopy diagrams, i.e. contour charts showing dependence of conductivity on two variables - voltage and the energy level position in a QD - which can be controlled by the plunger gate voltage. The finite Coulombic repulsion splits the density of states into two distinct maxima with the energy separation between them controlled by that parameter. It was also shown that an increase of either the value of the on-site Coulomb repulsion in a QD or the parameter of the Coulomb repulsion between the electrons in the QD and the contacts leads to an overall shift of the density of electronic states dependence toward higher energy values. Presence of the QD-lead interaction yields formation of a new pair of peaks in the differential conductance dependence. We also show that existence of four quantum states in a QD leads to abrupt changes in the density of states. These results could be beneficial for potential applications in nanotube-based amperometric sensors.

  1. Effects of Coulomb repulsion on conductivity of heterojunction carbon nanotube quantum dots with spin-orbital coupling and interacting leads

    Energy Technology Data Exchange (ETDEWEB)

    Ogloblya, O.V., E-mail: olexandr.ogloblya@gmail.com [Taras Shevchenko National University, 64/13 Volodymyrska St., Kyiv 01601 (Ukraine); Kuznietsova, H.M. [Taras Shevchenko National University, 64/13 Volodymyrska St., Kyiv 01601 (Ukraine); Strzhemechny, Y.M. [Dept. of Physics and Astronomy, Texas Christian University, Fort Worth, TX 76129 (United States)

    2017-01-01

    We performed numerical studies for the conductance of a heterojunction carbon nanotube quantum dot (QD) with an extra spin orbital quantum number and a conventional QD in which the electron state is determined only by the spin quantum number. Our computational approach took into account the spin-orbit interaction and the Coulomb repulsion both between electrons on a QD as well as between the QD electron and the contacts. We utilized an approach based on the Keldysh non-equilibrium Green's function formalism as well as the equation of motion technique. We focused on the case of a finite Coulombic on-site repulsion and considered two possible cases of applied voltage: spin bias and conventional bias. For the system of interest we obtained bias spectroscopy diagrams, i.e. contour charts showing dependence of conductivity on two variables - voltage and the energy level position in a QD - which can be controlled by the plunger gate voltage. The finite Coulombic repulsion splits the density of states into two distinct maxima with the energy separation between them controlled by that parameter. It was also shown that an increase of either the value of the on-site Coulomb repulsion in a QD or the parameter of the Coulomb repulsion between the electrons in the QD and the contacts leads to an overall shift of the density of electronic states dependence toward higher energy values. Presence of the QD-lead interaction yields formation of a new pair of peaks in the differential conductance dependence. We also show that existence of four quantum states in a QD leads to abrupt changes in the density of states. These results could be beneficial for potential applications in nanotube-based amperometric sensors.

  2. Arsenic-bridged magnetic interactions in an emerging two-dimensional FeAs nanostructure on MnAs

    Science.gov (United States)

    Helman, Christian; Ferrari, Valeria; Llois, Ana Maria

    2015-08-01

    The extreme case of an Fe monolayer deposited onto a manganese arsenide (MnAs) substrate is analyzed using density functional theory. We find that an FeAs quasi-two-dimensional antiferromagnetic surface nanostructure emerges. This nanostructure, which is magnetically nearly decoupled from the substrate, is due to bonding effects arising from the arsenic atoms bridging the Fe magnetic interactions. These interactions are studied and modeled using a Heisenberg-type Hamiltonian. They display an angular dependence which is characteristic of superexchange-like interactions, which are of the same order of magnitude as those appearing in Fe-based pnictides.

  3. Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states.

    Science.gov (United States)

    Godtliebsen, Ian H; Christiansen, Ove

    2015-10-07

    It is demonstrated how vibrational IR and Raman spectra can be calculated from damped response functions using anharmonic vibrational wave function calculations, without determining the potentially very many eigenstates of the system. We present an implementation for vibrational configuration interaction and vibrational coupled cluster, and describe how the complex equations can be solved using iterative techniques employing only real trial vectors and real matrix-vector transformations. Using this algorithm, arbitrary frequency intervals can be scanned independent of the number of excited states. Sample calculations are presented for the IR-spectrum of water, Raman spectra of pyridine and a pyridine-silver complex, as well as for the infra-red spectrum of oxazole, and vibrational corrections to the polarizability of formaldehyde.

  4. Determination of nucleosides and nucleotides in baby foods by hydrophilic interaction chromatography coupled to tandem mass spectrometry in the presence of hydrophilic ion-pairing reagents.

    Science.gov (United States)

    Mateos-Vivas, María; Rodríguez-Gonzalo, Encarnación; Domínguez-Álvarez, Javier; García-Gómez, Diego; Carabias-Martínez, Rita

    2016-11-15

    In this work we propose a rapid and efficient method for the joint determination of nucleosides and nucleotides in dairy and non-dairy baby foods based on hydrophilic interaction chromatography coupled to tandem mass spectrometry in the presence of diethylammonium (DEA) as a hydrophilic ion-pairing reagent (IP-HILIC-MS/MS). Sample treatment of the baby food included dilution with water and centrifugal ultrafiltration (CUF) with an additional washing step that notably improved the global performance of the process. Later dilution of the extract with acetonitrile allowed adequate separation in the HILIC system. With the proposed treatment, we obtained extraction recoveries higher than 80% and, additionally, no matrix effects were observed. The CUF-IP-HILIC-MS/MS method was validated according to the 2002/657/EC decision and was used for the quantification of nucleotides and nucleosides in sixteen samples of commercial baby foods. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Thermospin effects in parallel coupled double quantum dots in the presence of the Rashba spin-orbit interaction and Zeeman splitting

    Institute of Scientific and Technical Information of China (English)

    Xue Hui-Jie; Lü Tian-Quan; Zhang Hong-Chen; Yin Hai-Tao; Cui Lian; He Ze-Long

    2012-01-01

    The thermoelectric and the thermospin transport properties,including electrical conductivity,Seebeck coefficient,thermal conductivity,and thermoelectric figure of merit,of a parallel coupled double-quantum-dot Aharonov-Bohm interferometer are investigated by means of the Green function technique.The periodic Anderson model is used to describe the quantum dot system,the Rashba spin-orbit interaction and the Zeeman splitting under a magnetic field are considered.The theoretical results show the constructive contribution of the Rashba effect and the influence of the magnetic field on the thermospin effects.We also show theoretically that material with a high figure of merit can be obtained by tuning the Zeeman splitting energy only.

  6. A new formulation for air-blast fluid-structure interaction using an immersed approach: part II—coupling of IGA and meshfree discretizations

    Science.gov (United States)

    Bazilevs, Y.; Moutsanidis, G.; Bueno, J.; Kamran, K.; Kamensky, D.; Hillman, M. C.; Gomez, H.; Chen, J. S.

    2017-07-01

    In this two-part paper we begin the development of a new class of methods for modeling fluid-structure interaction (FSI) phenomena for air blast. We aim to develop accurate, robust, and practical computational methodology, which is capable of modeling the dynamics of air blast coupled with the structure response, where the latter involves large, inelastic deformations and disintegration into fragments. An immersed approach is adopted, which leads to an a-priori monolithic FSI formulation with intrinsic contact detection between solid objects, and without formal restrictions on the solid motions. In Part I of this paper, the core air-blast FSI methodology suitable for a variety of discretizations is presented and tested using standard finite elements. Part II of this paper focuses on a particular instantiation of the proposed framework, which couples isogeometric analysis (IGA) based on non-uniform rational B-splines and a reproducing-kernel particle method (RKPM), which is a meshfree technique. The combination of IGA and RKPM is felt to be particularly attractive for the problem class of interest due to the higher-order accuracy and smoothness of both discretizations, and relative simplicity of RKPM in handling fragmentation scenarios. A collection of mostly 2D numerical examples is presented in each of the parts to illustrate the good performance of the proposed air-blast FSI framework.

  7. Rapid determination of amino acids in fruits of Ziziphus jujuba by hydrophilic interaction ultra-high-performance liquid chromatography coupled with triple-quadrupole mass spectrometry.

    Science.gov (United States)

    Guo, Sheng; Duan, Jin-ao; Qian, Dawei; Tang, Yuping; Qian, Yefei; Wu, Dawei; Su, Shulan; Shang, Erxin

    2013-03-20

    In this study, a sensitive and rapid method for the simultaneous determination of free amino acids without derivatization using hydrophilic interaction liquid chromatography coupled with tandem mass spectrometry (HILIC-MS/MS) was developed. The method was performed on an ultra-high-performance liquid chromatography (UHPLC) separation system coupled with a triple-quadrupole mass spectrometry (TQ-MS) instrument. Sufficient separation of 23 underivatized amino acids was achieved on an Acquity BEH Amide column (2.1 mm × 100 mm, 1.7 μm) in a single run of 12 min. Then the method was applied for the analysis of the free amino acids in 46 batches of Ziziphus jujuba fruits which comprised 39 cultivars from 26 cultivation regions. Multivariate statistical analysis was also used to investigate the differences in free amino acid profiles among the samples. This study showed that HILIC-UHPLC-TQ-MS is an effective technique to analyze underivatized amino acids in the food samples.

  8. A new formulation for air-blast fluid-structure interaction using an immersed approach: part II—coupling of IGA and meshfree discretizations

    Science.gov (United States)

    Bazilevs, Y.; Moutsanidis, G.; Bueno, J.; Kamran, K.; Kamensky, D.; Hillman, M. C.; Gomez, H.; Chen, J. S.

    2017-03-01

    In this two-part paper we begin the development of a new class of methods for modeling fluid-structure interaction (FSI) phenomena for air blast. We aim to develop accurate, robust, and practical computational methodology, which is capable of modeling the dynamics of air blast coupled with the structure response, where the latter involves large, inelastic deformations and disintegration into fragments. An immersed approach is adopted, which leads to an a-priori monolithic FSI formulation with intrinsic contact detection between solid objects, and without formal restrictions on the solid motions. In Part I of this paper, the core air-blast FSI methodology suitable for a variety of discretizations is presented and tested using standard finite elements. Part II of this paper focuses on a particular instantiation of the proposed framework, which couples isogeometric analysis (IGA) based on non-uniform rational B-splines and a reproducing-kernel particle method (RKPM), which is a meshfree technique. The combination of IGA and RKPM is felt to be particularly attractive for the problem class of interest due to the higher-order accuracy and smoothness of both discretizations, and relative simplicity of RKPM in handling fragmentation scenarios. A collection of mostly 2D numerical examples is presented in each of the parts to illustrate the good performance of the proposed air-blast FSI framework.

  9. Interactions

    DEFF Research Database (Denmark)

    The main theme of this anthology is the unique interaction between mathematics, physics and philosophy during the beginning of the 20th century. Seminal theories of modern physics and new fundamental mathematical structures were discovered or formed in this period. Significant physicists...... such as Lorentz and Einstein as well as mathematicians such as Poincare, Minkowski, Hilbert and Weyl contributed to this development. They created the new physical theories and the mathematical disciplines that play such paramount roles in their mathematical formulations. These physicists and mathematicians were...

  10. Reactive transport modeling of coupled feldspar dissolution and secondary mineral precipitation and its implication for diagenetic interaction in sandstones

    Science.gov (United States)

    Yuan, Guanghui; Cao, Yingchang; Gluyas, Jon; Jia, Zhenzhen

    2017-06-01

    Dissolution of feldspars and precipitation of secondary minerals (kaolinite, illite and quartz) are significant diagenetic processes in arkosic sandstones. We examined moderately buried sandstones in the Eocene Shahejie Formation from two sags in the Bohai Bay Basin, East China. Three different types of mineral assemblages (MA) were identified: extensively leached feldspars with a large amount of authigenic kaolinite and quartz cement (MA-1), extensively leached feldspars with a large amount of authigenic kaolinite and minor quartz cement (MA-2), and extensively leached feldspars with a small amount of both authigenic kaolinite and quartz cement (MA-3). Numerical simulations at the continuum scale using Geochemist's Workbench 9.0 were conducted to decipher the origin of the different mineral assemblages. The physicochemical reactions including feldspar dissolution, transport of Al3+ and SiO2(aq), and precipitation of kaolinite and quartz are coupled together in these simulations, with constraints of chemical reactions, kinetic law, dispersion, and advection. Modeling results suggest that a dissolution zone, a transitional zone, and a precipitation zone can be formed in a sandstone unit with suitable constraints of temperature, flow rate, fluid composition and mineral reaction rate. And MA-3, MA-2, and MA-1 assemblages develop in these three zones respectively. The higher SiO2(aq) concentration required for the saturation of quartz than for kaolinite and the low Al3+ concentration needed for the saturation of kaolinite lead to the precipitation of only kaolinite in the transitional zone in a geochemical system with feldspar dissolution serving as the dominant source of SiO2(aq) and Al3+. Comparisons between modeling results and observations of natural sandstone diagenesis suggest that an MA-1 assemblage is likely to occur in buried sandstones at high temperatures (>70-80 °C) and low flow rates. An MA-2 assemblage may occur in moderately buried sandstones at

  11. Comparative analysis of function and interaction of transcription factors in nematodes: Extensive conservation of orthology coupled to rapid sequence evolution

    Directory of Open Access Journals (Sweden)

    Singh Rama S

    2008-08-01

    Full Text Available Abstract Background Much of the morphological diversity in eukaryotes results from differential regulation of gene expression in which transcription factors (TFs play a central role. The nematode Caenorhabditis elegans is an established model organism for the study of the roles of TFs in controlling the spatiotemporal pattern of gene expression. Using the fully sequenced genomes of three Caenorhabditid nematode species as well as genome information from additional more distantly related organisms (fruit fly, mouse, and human we sought to identify orthologous TFs and characterized their patterns of evolution. Results We identified 988 TF genes in C. elegans, and inferred corresponding sets in C. briggsae and C. remanei, containing 995 and 1093 TF genes, respectively. Analysis of the three gene sets revealed 652 3-way reciprocal 'best hit' orthologs (nematode TF set, approximately half of which are zinc finger (ZF-C2H2 and ZF-C4/NHR types and HOX family members. Examination of the TF genes in C. elegans and C. briggsae identified the presence of significant tandem clustering on chromosome V, the majority of which belong to ZF-C4/NHR family. We also found evidence for lineage-specific duplications and rapid evolution of many of the TF genes in the two species. A search of the TFs conserved among nematodes in Drosophila melanogaster, Mus musculus and Homo sapiens revealed 150 reciprocal orthologs, many of which are associated with important biological processes and human diseases. Finally, a comparison of the sequence, gene interactions and function indicates that nematode TFs conserved across phyla exhibit significantly more interactions and are enriched in genes with annotated mutant phenotypes compared to those that lack orthologs in other species. Conclusion Our study represents the first comprehensive genome-wide analysis of TFs across three nematode species and other organisms. The findings indicate substantial conservation of transcription

  12. Far Field Extrapolation from Near Field Interactions and Shielding Influence Investigations Based on a FE-PEEC Coupling Method

    Directory of Open Access Journals (Sweden)

    Gérard Meunier

    2013-03-01

    Full Text Available Regarding standards, it is well established that common mode currents are the main source of far field emitted by variable frequency drive (VFD-cable-motor associations. These currents are generated by the combination of floating potentials with stray capacitances between these floating potential tracks and the mechanical parts connected to the earth (the heatsink or cables are usual examples. Nowadays, due to frequency and power increases, the systematic compliance to EMC (ElectroMagnetic Compatibility becomes increasingly difficult and costly for industrials. As a consequence, there is a well-identified need to investigate practical and low cost solutions to reduce the radiated fields of VFD-cable-motor associations. A well-adapted solution is the shielding of wound components well known as the major source of near magnetic field. However, this solution is not convenient, it is expensive and may not be efficient regarding far field reduction. Optimizing the components placement could be a better and cheaper solution. As a consequence, dedicated tools have to be developed to efficiently investigate not easy comprehendible phenomena and finally to control EMC disturbances using component placement, layout geometry, shielding design if needed. However, none of the modeling methods usually used in industry complies with large frequency range and far field models including magnetic materials, multilayer PCBs, and shielding. The contribution of this paper is to show that alternatives regarding modeling solutions exist and can be used to get in-deep analysis of such complex structures. It is shown in this paper that near field investigations can give information on far field behavior. It is illustrated by an investigation of near field interactions and shielding influence using a FE-PEEC hybrid method. The test case combining a common mode filter with the floating potentials tracks of an inverter is based on an industrial and commercialized VFD. The

  13. Alkamides and a neolignan from Echinacea purpurea roots and the interaction of alkamides with G-protein-coupled cannabinoid receptors.

    Science.gov (United States)

    Hohmann, Judit; Rédei, Dóra; Forgo, Peter; Szabó, Pál; Freund, Tamás F; Haller, József; Bojnik, Engin; Benyhe, Sándor

    2011-10-01

    Multiple chromatographic separations of the CHCl₃-soluble extract of the roots of Echinacea purpurea led to the isolation of 19 compounds. Four natural products, three alkamides and nitidanin diisovalerianate, were identified, and five further compounds were detected for the first time in this species. Additionally, 10 known E. purpurea metabolites were isolated. The structures were determined by mass spectrometry and advanced 1D and 2D NMR techniques. The bioactivity of the isolated compounds was studied in [³⁵S]GTPγS-binding experiments performed on rat brain membrane preparations. Both partial and inverse agonist compounds for cannabinoid (CB1) receptors were identified among the metabolites, characterized by weak to moderate interactions with the G-protein signaling mechanisms. The G-protein-modulating activities of the Echinacea compounds are rather far from the full agonist effects seen with the CB1 receptor agonist reference compound arachidonyl-2'-chloroethylamide (ACEA). However, upon coadministration with ACEA, a number of them proved capable of inhibiting the stimulation of the pure agonist, thereby demonstrating cannabinoid receptor antagonist properties. Copyright © 2011 Elsevier Ltd. All rights reserved.

  14. Hybrid solvation models for bulk, interface, and membrane: Reference interaction site methods coupled with density functional theory

    Science.gov (United States)

    Nishihara, S.; Otani, M.

    2017-09-01

    We present two hybrid solvation models for the calculation of the solvation structure with model 1 in a confined nanospace in bulk materials and model 2 at solid/liquid interfaces where an electrode is in contact with an electrolyte and a membrane is immersed into a solution. The hybrid theory is based on the reference interaction site method (RISM) for the solvent region. The electronic structure of a bulk material, an electrode, and a membrane is treated by density functional theory with the plane-wave basis and pseudopotentials technique. For model 1, we use the three-dimensional RISM (3D-RISM) by imposing a 3D periodic boundary condition on the system. However, for model 2, we reformulate the RISM by means of a two-dimensional boundary condition parallel to the surface and an open boundary condition normal to the surface. Four benchmark calculations are performed for the formaldehyde-water system, water packed into a zeolite framework, a NaCl solution in contact with an Al electrode, and an Al thin film immersed in a NaCl solution with different concentrations. The calculations are shown to be efficient and stable. Because of the flexibility of the RISM theory, the models are considered to be applicable to a wide range of solid/liquid interfaces.

  15. Robust analysis of underivatized free amino acids in soil by hydrophilic interaction liquid chromatography coupled with electrospray tandem mass spectrometry.

    Science.gov (United States)

    Gao, Jiajia; Helmus, Rick; Cerli, Chiara; Jansen, Boris; Wang, Xiang; Kalbitz, Karsten

    2016-06-03

    Amino acids are an important and highly dynamic fraction of organic N in soils and their determination in soil without derivatization is challenging due to the difficulties in separation and detection of trace amounts of these polar analytes. In the present work, we developed an analytical method to quantify 20 free amino acids in aqueous soil extracts without derivatization. The method employed hydrophilic interaction liquid chromatography-tandem mass spectrometry (HILIC-MS/MS) technique combined with a cation exchange solid phase extraction (SPE). Four stable isotope labelled amino acids were used as internal standards to improve the method performance. Good separation of 20 underivatized amino acids was achieved within 12min. The limit of detection (LODs) and limit of quantification (LOQs) were in the range of 13-384ngg(-1) and 43-1267ngg(-1) (dry soil basis), respectively. The results showed that overall recoveries with high precision were obtained for the extracted free amino acids from ten different soils. The overall recoveries of 18 amino acids were similar for the ten soils used, which differed substantially in organic C content and in other properties as soil texture and pH. For most of the amino acids, the average recoveries from soil extracts were between 74% and 117%, with the exception of Met (31%), Pro (52%) and Arg (68%). Variability was within acceptable limits (relative standard deviations were between 4% and 13%), with the exception of Met (relative standard deviation=90%) and Arg (relative standard deviation=53%). Thus the proposed method with high throughout and high analyte specificity shows great promise for consistent analysis of free amino acids extracted from soils and offers new horizons for the analysis of amino acids in terrestrial and aquatic ecosystem.

  16. Hydrophilic interaction liquid chromatography coupled to high-resolution mass spectrometry to determine artificial sweeteners in environmental waters.

    Science.gov (United States)

    Salas, Daniela; Borrull, Francesc; Fontanals, Núria; Marcé, Rosa Maria

    2015-06-01

    Artificial sweeteners are food additives employed as sugar substitutes which are now considered to be emerging organic contaminants. In the present study, a method is developed for the determination of a group of artificial sweeteners in environmental waters. Considering the polar and hydrophilic character of these compounds, hydrophilic interaction liquid chromatography is proposed for their separation as an alternative to traditional reversed-phase liquid chromatography. Two stationary phases with different chemistry were compared for this purpose. For the detection of the analytes, high-resolution mass spectrometry (Orbitrap) was employed to take advantage of its benefits in terms of reliable quantification and confirmation for the measurement of accurate masses. Solid-phase extraction was chosen as the sample treatment, in which the extract in a mixture of NH4OH:MeOH:ACN (1:4:15) was directly injected into the chromatographic system, simplifying the analytical procedure. The optimized method was validated on river and waste water samples. For example, in the case of effluent water samples, limits of detection ranged from 0.002 to 0.7 μg/L and limits of quantification ranged from 0.004 to 1.5 μg/L. Apparent (whole method) recoveries ranged from 57 to 74% with intra-day precision (%RSD, n = 5) ranging from 6 to 25%. The method was successfully applied to water samples from different rivers in Catalonia and different waste water treatment plants in Tarragona. Acesulfame, cyclamate, saccharine and sucralose were found in several samples.

  17. Molecular dynamics and information on possible sites of interaction of intramyocellular metabolites in vivo from resolved dipolar couplings in localized 1H NMR spectra

    Science.gov (United States)

    Schröder, Leif; Schmitz, Christian; Bachert, Peter

    2004-12-01

    Proton NMR resonances of the endogenous metabolites creatine and phosphocreatine ((P)Cr), taurine (Tau), and carnosine (Cs, β-alanyl- L-histidine) were studied with regard to residual dipolar couplings and molecular mobility. We present an analysis of the direct 1H- 1H interaction that provides information on motional reorientation of subgroups in these molecules in vivo. For this purpose, localized 1H NMR experiments were performed on m. gastrocnemius of healthy volunteers using a 1.5-T clinical whole-body MR scanner. We evaluated the observable dipolar coupling strength SD0 ( S = order parameter) of the (P)Cr-methyl triplet and the Tau-methylene doublet by means of the apparent line splitting. These were compared to the dipolar coupling strength of the (P)Cr-methylene doublet. In contrast to the aliphatic protons of (P)Cr and Tau, the aromatic H2 ( δ = 8 ppm) and H4 ( δ = 7 ppm) protons of the imidazole ring of Cs exhibit second-order spectra at 1.5 T. This effect is the consequence of incomplete transition from Zeeman to Paschen-Back regime and allows a determination of SD0 from H2 and H4 of Cs as an alternative to evaluating the multiplet splitting which can be measured directly in high-resolution 1H NMR spectra. Experimental data showed striking differences in the mobility of the metabolites when the dipolar coupling constant D0 (calculated with the internuclear distance known from molecular geometry in the case of complete absence of molecular dynamics and motion) is used for comparison. The aliphatic signals involve very small order parameters S ≈ (1.4 - 3) × 10 -4 indicating rapid reorientation of the corresponding subgroups in these metabolites. In contrast, analysis of the Cs resonances yielded S ≈ (113 - 137) × 10 -4. Thus, the immobilization of the Cs imidazole ring owing to an anisotropic cellular substructure in human m. gastrocnemius is much more effective than for (P)Cr and Tau subgroups. Furthermore, 1H NMR experiments on aqueous model

  18. Cell-surface protein-protein interaction analysis with time-resolved FRET and snap-tag technologies: application to G protein-coupled receptor oligomerization.

    Science.gov (United States)

    Comps-Agrar, Laëtitia; Maurel, Damien; Rondard, Philippe; Pin, Jean-Philippe; Trinquet, Eric; Prézeau, Laurent

    2011-01-01

    G protein-coupled receptors (GPCRs) are key players in cell-cell communication, the dysregulation of which has often deleterious effects leading to pathologies such as psychiatric and neurological diseases. Consequently, GPCRs represent excellent drug targets, and as such are the object of intense research in drug discovery for therapeutic application. Recently, the GPCR field has been revolutionized by the demonstration that GPCRs are part of large protein complexes that control their pharmacology, activity, and signaling. Moreover, in these complexes, one GPCR can either associate with itself, forming homodimers or homooligomers, or with other receptor types, forming heterodimeric or heterooligomeric receptor entities that display new receptor features. These features include alterations in ligand cooperativity and selectivity, the activation of novel signaling pathways, and novel processes of desensitization. Thus, it has become necessary to identify GPCR-associated protein complexes of interest at the cell surface, and to determine the state of oligomerization of these receptors and their interactions with their partner proteins. This is essential to understand the function of GPCRs in their native environment, as well as ways to either modulate or control receptor activity with appropriate pharmacological tools, and to develop new therapeutic strategies. This requires the development of technologies to precisely address protein-protein interactions between oligomers at the cell surface. In collaboration with Cisbio Bioassay, we have developed such a technology, which combines TR-FRET detection with a new labeling method called SnapTag. This technology has allowed us to address the oligomeric state of many GPCRs.

  19. The FAK–Arp2/3 interaction promotes leading edge advance and haptosensing by coupling nascent adhesions to lamellipodia actin

    Science.gov (United States)

    Swaminathan, Vinay; Fischer, R. S.; Waterman, Clare M.

    2016-01-01

    Cell migration is initiated in response to biochemical or physical cues in the environment that promote actin-mediated lamellipodial protrusion followed by the formation of nascent integrin adhesions (NAs) within the protrusion to drive leading edge advance. Although FAK is known to be required for cell migration through effects on focal adhesions, its role in NA formation and lamellipodial dynamics is unclear. Live-cell microscopy of FAK−/− cells with expression of phosphorylation deficient or a FERM-domain mutant deficient in Arp2/3 binding revealed a requirement for FAK in promoting the dense formation, transient stabilization, and timely turnover of NA within lamellipodia to couple actin-driven protrusion to adhesion and advance of the leading edge. Phosphorylation on Y397 of FAK promotes dense NA formation but is dispensable for transient NA stabilization and leading edge advance. In contrast, transient NA stabilization and advance of the cell edge requires FAK–Arp2/3 interaction, which promotes Arp2/3 localization to NA and reduces FAK activity. Haptosensing of extracellular matrix (ECM) concentration during migration requires the interaction between FAK and Arp2/3, whereas FAK phosphorylation modulates mechanosensing of ECM stiffness during spreading. Taken together, our results show that mechanistically separable functions of FAK in NA are required for cells to distinguish distinct properties of their environment during migration. PMID:26842895

  20. Diffusion and molecular interactions in a methanol/polyimide system probed by coupling time-resolved FTIR spectroscopy with gravimetric measurements.

    Science.gov (United States)

    Musto, Pellegrino; Galizia, Michele; La Manna, Pietro; Pannico, Marianna; Mensitieri, Giuseppe

    2014-01-01

    In this contribution the diffusion of methanol in a commercial polyimide (PMDA-ODA) is studied by coupling gravimetric measurements with in-situ, time-resolved FTIR spectroscopy. The spectroscopic data have been treated with two complementary techniques, i.e., difference spectroscopy (DS) and least-squares curve fitting (LSCF). These approaches provided information about the overall diffusivity, the nature of the molecular interactions among the system components and the dynamics of the various molecular species. Additional spectroscopic measurements on thin film samples (about 2 μm) allowed us to identify the interaction site on the polymer backbone and to propose likely structures for the H-bonding aggregates. Molar absorptivity values from a previous literature report allowed us to estimate the population of first-shell and second-shell layers of methanol in the polymer matrix. In terms of diffusion kinetics, the gravimetric and spectroscopic estimates of the diffusion coefficients were found to be in good agreement with each other and with previous literature reports. A Fickian behavior was observed throughout, with diffusivity values markedly affected by the total concentration of sorbed methanol.

  1. A novel model of interaction between high frequency electromagnetic non-ionizing fields and microtubules viewed as coupled two-degrees of freedom harmonic oscillators.

    Science.gov (United States)

    Caligiuri, Luigi Maxmilian

    2015-01-01

    The question regarding the potential biological and adverse health effects of non-ionizing electromagnetic fields on living organisms is of primary importance in biophysics and medicine. Despite the several experimental evidences showing such occurrence in a wide frequency range from extremely low frequency to microwaves, a definitive theoretical model able to explain a possible mechanism of interaction between electromagnetic fields and living matter, especially in the case of weak and very weak intensities, is still missing. In this paper it has been suggested a possible mechanism of interaction involving the resonant absorption of electromagnetic radiation by microtubules. To this aim these have been modeled as non-dissipative forced harmonic oscillators characterized by two coupled "macroscopic" degrees of freedom, respectively describing longitudinal and transversal vibrations induced by the electromagnetic field. We have shown that the proposed model, although at a preliminary stage, is able to explain the ability of even weak electromagnetic radiating electromagnetic fields to transfer high quantities of energy to living systems by means of a resonant mechanism, so capable to easily damage microtubules structure.

  2. Hydrological budget of Lake Chad: assessment of lake-groundwater interaction by coupling Bayesian approach and chemical budget

    Science.gov (United States)

    Bouchez, Camille; Goncalves, Julio; Deschamps, Pierre; Seidel, Jean-Luc; Doumnang, Jean-Claude; Sylvestre, Florence

    2014-05-01

    Estimation of lake-groundwater interactions is a crucial step to constrain water balance of lacustrine and aquifer systems. Located in the Sahel, the Lake Chad is at the center of an endorheic basin of 2,5.106 km2. One of the most remarkable features of this terminal lake is that, despite the semi-arid context and high evaporation rates of the area, its waters are fresh. It is proposed in the literature that the solutes are evacuated in the underlying quaternary aquifer bearing witness to the importance of surface water and groundwater exchanges for the chemical regulation of the lake. The water balance of this system is still not fully understood. The respective roles of evaporation versus infiltration into the quaternary aquifer are particularly under constrained. To assess lake-groundwater flows, we used the previous conceptual hydrological model of the lake Chad proposed by Bader et al. (Hydrological Sciences Journal, 2011). This model involves six parameters including infiltration rate. A probabilistic inversion of parameters, based on an exploration of the parameters space through a Metropolis algorithm (a Monte Carlo Markov Chain method), allows the construction of an a posteriori Probability Density Function of each parameter yielding to the best fits between observed lake levels and simulated. Then, a chemical budget of a conservative element, such as chloride, is introduced in the water balance model using the optimal parameters resulting from the Bayesian inverse approach. The model simulates lake level and chloride concentration variations of lake Chad from 1956 up to 2008. Simulated lake levels are in overall agreement with the observations, with a Nash-Sutcliffe efficiency coefficient above 0.94 for all sets of parameters retained. The infiltration value, obtained by such probabilistic inversion approach, accounts for 120±20 mm/yr, representing 5% of the total outputs of the lake. However, simulated chloride concentrations are overestimated in

  3. Hydrophilic interaction chromatography versus reversed phase liquid chromatography coupled to mass spectrometry: effect of electrospray ionization source geometry on sensitivity.

    Science.gov (United States)

    Periat, Aurélie; Kohler, Isabelle; Bugey, Aurélie; Bieri, Stefan; Versace, François; Staub, Christian; Guillarme, Davy

    2014-08-22

    In this study, the influence of electrospray ionization (ESI) source design on the overall sensitivity achieved in hydrophilic interaction chromatography (HILIC) and reversed phase liquid chromatography (RPLC), was investigated. State-of-the-art triple quadrupole mass analyzers from AB Sciex, Agilent Technologies and Waters equipped with brand specific source geometries were tested with various mobile phase pH on 53 pharmaceutical compounds. The design of the ESI source showed to strongly influence the gain in sensitivity that can be achieved in HILIC compared to RPLC mode. The 6460 Triple Quadrupole LC/MS system from Agilent Technologies was particularly affected by mobile phase settings. Indeed, compared to RPLC conditions, 92% of the compounds had an increased signal-to-noise ratio at a flow rate of 300 μL/min in HILIC mode at pH 6, while this percentage dropped to only 7% at 1000 μL/min and pH 3. In contrast, the influence of flow rate and mobile phase pH on the gain in sensitivity between RPLC and HILIC was found very limited with the API 5000 LC/MS/MS system from AB Sciex, as only 15 to 36% of the tested compounds showed an enhanced sensitivity in HILIC mode. With the Xevo TQ-S instrument from Waters, superior sensitivity in HILIC was noticed for 85% of the compounds with optimal conditions (i.e., pH 3 and 1000 μL/min), whereas at sub-optimal conditions (i.e. pH 6 and 300 μL/min), it represented less than 50%. The gain in sensitivity observed in HILIC was found less significant with the recent LC-MS platforms used in this study than for old-generation instruments. Indeed, the improved ESI sources equipping the recent mass analyzers allow for enhanced evaporation efficiency, mainly for RPLC mobile phases containing high proportion of water and this even at high flow rates. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Systematic comparison of sensitivity between hydrophilic interaction liquid chromatography and reversed phase liquid chromatography coupled with mass spectrometry.

    Science.gov (United States)

    Periat, Aurélie; Boccard, Julien; Veuthey, Jean-Luc; Rudaz, Serge; Guillarme, Davy

    2013-10-18

    Hydrophilic interaction liquid chromatography (HILIC) appears as a promising strategy to increase sensitivity with electrospray ionization source (ESI/MS). In the present study, peak heights, background noises and signal-to-noise ratios (S/N) obtained with HILIC-MS/MS and RPLC-MS/MS conditions were systematically compared using a dataset of 56 basic drugs possessing diverse physico-chemical properties. Various mobile phase conditions were investigated, including different pH (3 and 6 in HILIC; 3, 6 and 9 in RPLC) and flow rates (300, 600 and 1000μL/min). The average gain in sensitivity obtained between HILIC and RPLC was equal to 7 and 10 at pH 3 and 6, respectively. However, this value was not reliable, since it was altered by a few compounds possessing an "extreme" behaviour (gain in sensitivity from 100-fold to >8000-fold better). Then, the median gain in sensitivity, equal to 4 in our case, whatever the pH, should be considered. For about 90% of the tested compounds and analytical conditions, the best S/N was systematically attained under HILIC mode. Thanks to PCA representation, it was shown that the basic compounds with pKa between 6 and 8 generally had the best sensitivity in HILIC at pH 6, while the best sensitivity for basic analytes possessing pKa higher than 8 was usually obtained in HILIC at pH 3. As previously reported, the sensitivity gain in HILIC vs. RPLC was explained by the difference in acetonitrile concentration at elution (in average 29% ACN in RPLC and 82% ACN in HILIC at pH 6) leading to better analytes' desolvation. However, it seems that this high proportion of solvent also favourably influenced the ionization by modifying pH and pKa. Indeed the weakest bases of our training set of compounds (pKa between 2 and 5) showed an unexpectedly strong gain in sensitivity, between 20 and 100-fold in comparison to RPLC. These results prove that the ionic character of analytes in solution (i.e., pKa and pH) and the ionization mechanism (i.e., proton

  5. Simultaneous determination of the repertoire of classical neurotransmitters released from embryonal carcinoma stem cells using online microdialysis coupled with hydrophilic interaction chromatography–tandem mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Ya-Bin [Department of Pharmacology and Chemical Biology, Shanghai Jiao Tong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Collaborative Innovation Center for Translational Medicine, Shanghai Jiao Tong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Sun, Fan [Department of Pharmacology and Chemical Biology, Shanghai Jiao Tong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Teng, Lin [Department of Pharmacology and Chemical Biology, Shanghai Jiao Tong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Department of Cardiology and Institute of Cardiovascular Diseases, The First College of Clinical Medical Sciences, China Three Gorges University, Yichang 443000, Hubei (China); Li, Wen-Bin; An, Shi-Min [Department of Pharmacology and Chemical Biology, Shanghai Jiao Tong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Collaborative Innovation Center for Translational Medicine, Shanghai Jiao Tong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Zhang, Chun; Yang, Xin-Jie; Lv, Hao-Yu; Ding, Xu-Ping [Department of Pharmacology and Chemical Biology, Shanghai Jiao Tong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Zhu, Liang, E-mail: zhuliang17@gmail.com [Department of Pharmacology and Chemical Biology, Shanghai Jiao Tong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Collaborative Innovation Center for Translational Medicine, Shanghai Jiao Tong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); and others

    2014-11-07

    Highlights: • An online MD-HILIC–MS/MS method for simultaneously measuring the repertoire of classical transmitters was developed and validated. • Hydrophilic interaction chromatography (HILIC) was successfully employed to online system. • Stable isotope labeled internal standards and authentic matrix have been applied to guarantee reliable results. • The method features simple procedure (no sample preparation), high recovery (≥73%), high accuracy (89.36% ≤ RE ≤ 116.89%), good reproducibility (2.18% ≤ RSD ≤ 14.56%), and sensitive limits of detection (2 pg for acetylcholine, serotonin, and glutamate, 10 pg for dopamine, norepinephrine, GABA, and glycine). - Abstract: Dynamic, continuous, and simultaneous multi-analysis of transmitters is important for the delineation of the complex interactions between the neuronal and intercellular communications. But the analysis of the whole repertoire of classical transmitters of diverse structure is challenging due to their different physico-chemical properties and to their high polarity feature which leads to poor retention in traditional reversed-phase columns during LC–MS analysis. Here, an online microdialysis coupled with hydrophilic interaction chromatography–tandem mass spectrometry (online MD-HILIC–MS/MS) detection method was developed for the simultaneous measurement of the repertoire of classical transmitters (acetylcholine, serotonin, dopamine, norepinephrine, glutamate, GABA, and glycine). Stable isotope labeled internal standards and authentic matrix have been applied to guarantee reliable results. The method was successfully employed to reveal the characteristics of transmitter release from embryonal carcinoma stem cells. The method features simple procedure (no sample preparation), high recovery (≥73%), high accuracy (89.36% ≤ RE ≤ 116.89%), good reproducibility (2.18% ≤ RSD ≤ 14.56%), and sensitive limits of detection (2 pg for acetylcholine, serotonin, and glutamate, 10 pg

  6. A fully coupled atmosphere-ocean wave modeling system for the Mediterranean Sea: interactions and sensitivity to the resolved scales and mechanisms

    Science.gov (United States)

    Katsafados, P.; Papadopoulos, A.; Korres, G.; Varlas, G.

    2016-01-01

    It is commonly accepted that there is a need for a better understanding of the factors that contribute to air-sea interactions and their feedbacks. In this context it is important to develop advanced numerical prediction systems that treat the atmosphere and the ocean as a unified system. The realistic description and understanding of the exchange processes near the ocean surface requires knowledge of the sea state and its evolution. This can be achieved by considering the sea surface and the atmosphere as a continuously cross-talking dynamic system. Following and adapting concepts already developed and implemented in large-scale numerical weather models and in hurricane simulations, this study aims to present the effort towards developing a new, high-resolution, two-way fully coupled atmosphere-ocean wave model in order to support both operational and research activities. A specific issue that is emphasized is the determination and parameterization of the air-sea momentum fluxes in conditions of extremely high and time-varying winds. Software considerations, data exchange as well as computational and scientific performance of the coupled system, the so-called WEW (worketa-wam), are also discussed. In a case study of a high-impact weather and sea-state event, the wind-wave parameterization scheme reduces the resulted wind speed and the significant wave height as a response to the increased aerodynamic drag over rough sea surfaces. Overall, WEW offers a more realistic representation of the momentum exchanges in the ocean wind-wave system and includes the effects of the resolved wave spectrum on the drag coefficient and its feedback on the momentum flux.

  7. A fully coupled Atmosphere–Ocean Wave modeling system (WEW for the Mediterranean Sea: interactions and sensitivity to the resolved scales and mechanisms

    Directory of Open Access Journals (Sweden)

    P. Katsafados

    2015-05-01

    Full Text Available It is commonly accepted that there is an urgent need for a better understanding of the factors that contribute to the air–sea interaction processes and their feedbacks. In this sense it is absolutely important to develop advanced numerical prediction systems that treat the atmosphere and the ocean as a unified system. The realistic description and understanding of the exchange processes near the ocean surface, requires the exact knowledge of the sea state and its evolution. This can be achieved by considering the sea surface and the atmosphere as a continuously cross talking dynamic system. Therefore, this study aims to present the effort towards developing a new, high-resolution, two-way fully coupled atmosphere–ocean wave model in order to support operational and research activities. A specific issue that it is emphasized here is the determination and parameterization of the air–sea momentum fluxes under conditions of extremely high and time-varying winds. Software considerations, data exchange as well as computational and scientific performance of the coupled system, so-called WEW, are also discussed throughout this study. In a case study of high-impact weather and sea state event, the wind–wave parameterization scheme reduces the resulted wind speed and the significant wave height as a response to the increased aerodynamic drag over rough sea surfaces. Overall, WEW offers a more realistic representation of the momentum exchanges in the ocean wind–wave system and includes the effects of the resolved wave spectrum on the drag coefficient and its feedback on the momentum flux.

  8. On the G-Protein-Coupled Receptor Heteromers and Their Allosteric Receptor-Receptor Interactions in the Central Nervous System: Focus on Their Role in Pain Modulation

    Directory of Open Access Journals (Sweden)

    Dasiel O. Borroto-Escuela

    2013-01-01

    Full Text Available The modulatory role of allosteric receptor-receptor interactions in the pain pathways of the Central Nervous System and the peripheral nociceptors has become of increasing interest. As integrators of nociceptive and antinociceptive wiring and volume transmission signals, with a major role for the opioid receptor heteromers, they likely have an important role in the pain circuits and may be involved in acupuncture. The delta opioid receptor (DOR exerts an antagonistic allosteric influence on the mu opioid receptor (MOR function in a MOR-DOR heteromer. This heteromer contributes to morphine-induced tolerance and dependence, since it becomes abundant and develops a reduced G-protein-coupling with reduced signaling mainly operating via β-arrestin2 upon chronic morphine treatment. A DOR antagonist causes a return of the Gi/o binding and coupling to the heteromer and the biological actions of morphine. The gender- and ovarian steroid-dependent recruitment of spinal cord MOR/kappa opioid receptor (KOR heterodimers enhances antinociceptive functions and if impaired could contribute to chronic pain states in women. MOR1D heterodimerizes with gastrin-releasing peptide receptor (GRPR in the spinal cord, mediating morphine induced itch. Other mechanism for the antinociceptive actions of acupuncture along meridians may be that it enhances the cross-desensitization of the TRPA1 (chemical nociceptor-TRPV1 (capsaicin receptor heteromeric channel complexes within the nociceptor terminals located along these meridians. Selective ionotropic cannabinoids may also produce cross-desensitization of the TRPA1-TRPV1 heteromeric nociceptor channels by being negative allosteric modulators of these channels leading to antinociception and antihyperalgesia.

  9. Calculations of the dominant long-range, spin-independent contributions to the interaction energy between two nonrelativistic Dirac fermions from double-boson exchange of spin-0 and spin-1 bosons with spin-dependent couplings

    CERN Document Server

    Aldaihan, S; Long, J C; Snow, W M

    2016-01-01

    Various theories beyond the Standard Model predict new particles with masses in the sub-eV range with very weak couplings to ordinary matter which can possess spin-dependent couplings to electrons and nucleons. Present laboratory constraints on exotic spin-dependent interactions with pseudoscalar and axial couplings for exchange boson masses between meV and eV are very poor compared to constraints on spin-independent interactions in the same mass range arising from spin-0 and spin-1 boson exchange. It is therefore interesting to analyze in a general way how one can use the strong experimental bounds on spin-independent interactions to also constrain spin-dependent interactions by considering higher-order exchange processes. The exchange of a pair of bosons between two fermions with spin-dependent couplings will possess contributions which flip spins twice and thereby generate a polarization-independent interaction energy which can add coherently between two unpolarized objects. In this paper we derive the dom...

  10. Vibrational configuration interaction using a tiered multimode scheme and tests of approximate treatments of vibrational angular momentum coupling: a case study for methane.

    Science.gov (United States)

    Mielke, Steven L; Chakraborty, Arindam; Truhlar, Donald G

    2013-08-15

    We present vibrational configuration interaction calculations employing the Watson Hamiltonian and a multimode expansion. Results for the lowest 36 eigenvalues of the zero total angular momentum rovibrational spectrum of methane agree with the accurate benchmarks of Wang and Carrington to within a mean unsigned deviation of 0.68, 0.033, and 0.014 cm(-1) for 4-mode, 5-mode, and 6-mode representations, respectively. We note that in the case of the 5-mode results, this is a factor of 10 better agreement than for 5-mode calculations reported earlier by Wu, Huang, Carter, and Bowman for the same set of eigenvalues, which indicates that the multimode expansion is even more rapidly convergent than previously demonstrated. Our largest calculations employ a tiered approach with matrix elements treated using a variable-order multimode expansion with orders ranging from 4-mode to 7-mode; strategies for assigning matrix elements to particular multimode tiers are discussed. Improvements of 7-mode coupling over 6-mode coupling are small (averaging 0.002 cm(-1) for the first 36 eigenvalues) suggesting that 7-mode coupling is sufficient to fully converge the results. A number of approximate treatments of the computationally expensive vibrational angular momentum terms are explored. The use of optimized vibrational quadratures allows rapid integration of the matrix elements, especially the vibrational angular momentum terms, which require significantly fewer quadrature points than are required to integrate the potential. We assign the lowest 243 states and compare our results to those of Wang and Carrington, who provided assignments for the same set of states. Excellent agreement is observed for most states, but our results are lower for some of the higher-energy states by as much as 20 cm(-1), with the largest deviations being for the states with six quanta of excitation in the F2 bends, suggesting that the earlier results were not fully converged with respect to the basis set. We

  11. Research of spin wave function and exchange coupling interactions in metal magnetic materials%磁性金属材料中交换耦合作用和自旋波的研究∗

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    Exchange coupling is one of the most important fundamental interactions in ferromagnetic systems. Understanding of the parameters in this interaction may help describe numerous properties of metal magnetic materials. However, in the localized electron theory or itinerant electron theory there are also certain difficulties when utilizing this approximation method to study magnetic ordering problems for multi-atom systems. In realistic magnets exchange coupling is also related to the coexistence of localized and itinerant degrees of freedom. In this case Heisenberg exchange relationship has some limitations. If the exchange relationship only depends on the structure of the magnet, and is not related to energy differences between the phases, we can better avoid the Heisenberg exchange limits. Based on this, we use the general principle of the exchange coupling theory to analyse the usual approximation, and discuss the opportunity to calculate the parameters of such coupling rigorously without specific assumptions about the range of magnetic order or any approximation about the form of magnetization density. We propose a method for calculating the exchange coupling parameter to any approximation. The range of applicability of the above relation is discussed quantitatively for real magnetic systems (magnetic metal materials Gd, Fe, Ni) and spin waves, and the relevance for the exchange coupling is also analysed. This analysis for metal magnetic system (Fe, Ni and Gd) shows that the most significant improvement is obtained for exchange coupling between nearest magnetic atoms and for spin wave spectrum at finite wave vectors. It can be described by the relationship between the exchange coupling approximation and spin wave spectrum, and also interaction between the nearest neighbor magnetic atoms in ferromagnetic systems;these will give reasonable description to the large wave vectors part of spin wave spectra in any magnet with not fully localized magnetism. This point of

  12. Running surface couplings

    OpenAIRE

    1995-01-01

    We discuss the renormalization group improved effective action and running surface couplings in curved spacetime with boundary. Using scalar self-interacting theory as an example, we study the influence of the boundary effects to effective equations of motion in spherical cap and the relevance of surface running couplings to quantum cosmology and symmetry breaking phenomenon. Running surface couplings in the asymptotically free SU(2) gauge theory are found.

  13. Host-Pathogen Coupled Interactions

    Science.gov (United States)

    2015-01-04

    CLASSIFICATION OF: U 17. LIMITATION OF ABSTRACT SAR 18. NUMBER OF PAGES 5 19a. NAME OF RESPONSIBLE PERSON K Yu a. REPORT U b...Similarly, Bacillus anthracis (BA) produces lethal factor (LF) that also accumulates in the cytosol of macrophages, cleaving the MAPKKs and leading to

  14. Coupled transfers; Transferts couples

    Energy Technology Data Exchange (ETDEWEB)

    Nicolas, X.; Lauriat, G.; Jimenez-Rondan, J. [Universite de Marne-la-Vallee, Lab. d' Etudes des Transferts d' Energie et de Matiere (LETEM), 77 (France); Bouali, H.; Mezrhab, A. [Faculte des Sciences, Dept. de Physique, Lab. de Mecanique et Energetique, Oujda (Morocco); Abid, C. [Ecole Polytechnique Universitaire de Marseille, IUSTI UMR 6595, 13 Marseille (France); Stoian, M.; Rebay, M.; Lachi, M.; Padet, J. [Faculte des Sciences, Lab. de Thermomecanique, UTAP, 51 - Reims (France); Mladin, E.C. [Universitaire Polytechnique Bucarest, Faculte de Genie Mecanique, Bucarest (Romania); Mezrhab, A. [Faculte des Sciences, Lab. de Mecanique et Energetique, Dept. de Physique, Oujda (Morocco); Abid, C.; Papini, F. [Ecole Polytechnique, IUSTI, 13 - Marseille (France); Lorrette, C.; Goyheneche, J.M.; Boechat, C.; Pailler, R. [Laboratoire des Composites ThermoStructuraux, UMR 5801, 33 - Pessac (France); Ben Salah, M.; Askri, F.; Jemni, A.; Ben Nasrallah, S. [Ecole Nationale d' Ingenieurs de Monastir, Lab. d' Etudes des Systemes Thermiques et Energetiques (Tunisia); Grine, A.; Desmons, J.Y.; Harmand, S. [Laboratoire de Mecanique et d' Energetique, 59 - Valenciennes (France); Radenac, E.; Gressier, J.; Millan, P. [ONERA, 31 - Toulouse (France); Giovannini, A. [Institut de Mecanique des Fluides de Toulouse, 31 (France)

    2005-07-01

    This session about coupled transfers gathers 30 articles dealing with: numerical study of coupled heat transfers inside an alveolar wall; natural convection/radiant heat transfer coupling inside a plugged and ventilated chimney; finite-volume modeling of the convection-conduction coupling in non-stationary regime; numerical study of the natural convection/radiant heat transfer coupling inside a partitioned cavity; modeling of the thermal conductivity of textile reinforced composites: finite element homogenization on a full periodical pattern; application of the control volume method based on non-structured finite elements to the problems of axisymmetrical radiant heat transfers in any geometries; modeling of convective transfers in transient regime on a flat plate; a conservative method for the non-stationary coupling of aero-thermal engineering codes; measurement of coupled heat transfers (forced convection/radiant transfer) inside an horizontal duct; numerical simulation of the combustion of a water-oil emulsion droplet; numerical simulation study of heat and mass transfers inside a reactor for nano-powders synthesis; reduction of a combustion and heat transfer model of a direct injection diesel engine; modeling of heat transfers inside a knocking operated spark ignition engine; heat loss inside an internal combustion engine, thermodynamical and flamelet model, composition effects of CH{sub 4}H{sub 2} mixtures; experimental study and modeling of the evolution of a flame on a solid fuel; heat transfer for laminar subsonic jet of oxygen plasma impacting an obstacle; hydrogen transport through a A-Si:H layer submitted to an hydrogen plasma: temperature effects; thermal modeling of the CO{sub 2} laser welding of a magnesium alloy; radiant heat transfer inside a 3-D environment: application of the finite volume method in association with the CK model; optimization of the infrared baking of two types of powder paints; optimization of the emission power of an infrared

  15. Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions

    CERN Document Server

    Garza, Alejandro J; Alencar, Ana G Sousa; Sun, Jianwei; Perdew, John P; Scuseria, Gustavo E

    2015-01-01

    Contrary to standard coupled cluster doubles (CCD) and Brueckner doubles (BD), singlet-paired analogues of CCD and BD (denoted here as CCD0 and BD0) do not break down when static correlation is present, but neglect substantial amounts of dynamic correlation. In fact, CCD0 and BD0 do not account for any contributions from multielectron excitations involving only same-spin electrons at all. We exploit this feature to add---without introducing double counting, self-interaction, or increase in cost---the missing correlation to these methods via meta-GGA density functionals (TPSS and SCAN). Furthermore, we improve upon these CCD0+DFT blends by invoking range separation: the short- and long-range correlations absent in CCD0/BD0 are evaluated with DFT and the direct random phase approximation (dRPA), respectively. This corrects the description of long-range van der Waals forces. Comprehensive benchmarking shows that the combinations presented here are very accurate for weakly correlated systems, while also providing...

  16. Effect of driving frequency on the electron energy distribution function and electron-sheath interaction in a low pressure capacitively coupled plasma

    Science.gov (United States)

    Sharma, S.; Sirse, N.; Kaw, P. K.; Turner, M. M.; Ellingboe, A. R.

    2016-11-01

    By using a self-consistent particle-in-cell simulation, we investigated the effect of driving frequency (27.12-70 MHz) on the electron energy distribution function (EEDF) and electron-sheath interaction in a low pressure (5 mTorr) capacitively coupled Ar discharge for a fixed discharge voltage. We observed a mode transition with driving frequency, changing the shape of EEDF from a strongly bi-Maxwellian at a driving frequency of 27.12 MHz to a convex type distribution at an intermediate frequency, 50 MHz, and finally becomes a weak bi-Maxwellian at a higher driving frequency, i.e., above 50 MHz. The transition is caused by the electric field transients, which is of the order of electron plasma frequency caused by the energetic "beams" of electrons ejected from near the sheath edge. Below the transition frequency, 50 MHz, these high energy electrons redistribute their energy with low energy electrons, thereby increasing the effective electron temperature in the plasma, whereas the plasma density remains nearly constant. Above the transition frequency, high-energy electrons are confined between opposite sheaths, which increase the ionization probability and therefore the plasma density increases drastically.

  17. Interacting Effects of Light and Iron Availability on the Coupling of Photosynthetic Electron Transport and CO2-Assimilation in Marine Phytoplankton.

    Directory of Open Access Journals (Sweden)

    Nina Schuback

    Full Text Available Iron availability directly affects photosynthesis and limits phytoplankton growth over vast oceanic regions. For this reason, the availability of iron is a crucial variable to consider in the development of active chlorophyll a fluorescence based estimates of phytoplankton primary productivity. These bio-optical approaches require a conversion factor to derive ecologically-relevant rates of CO2-assimilation from estimates of electron transport in photosystem II. The required conversion factor varies significantly across phytoplankton taxa and environmental conditions, but little information is available on its response to iron limitation. In this study, we examine the role of iron limitation, and the interacting effects of iron and light availability, on the coupling of photosynthetic electron transport and CO2-assimilation in marine phytoplankton. Our results show that excess irradiance causes increased decoupling of carbon fixation and electron transport, particularly under iron limiting conditions. We observed that reaction center II specific rates of electron transport (ETR(RCII, mol e- mol RCII(-1 s(-1 increased under iron limitation, and we propose a simple conceptual model for this observation. We also observed a strong correlation between the derived conversion factor and the expression of non-photochemical quenching. Utilizing a dataset from in situ phytoplankton assemblages across a coastal--oceanic transect in the Northeast subarctic Pacific, this relationship was used to predict ETR(RCII: CO2-assimilation conversion factors and carbon-based primary productivity from FRRF data, without the need for any additional measurements.

  18. Hydrophilic interaction chromatography coupled matrix assisted laser desorption/ionization mass spectrometry for molecular analysis of organic compounds in medicines, tea, and coffee

    KAUST Repository

    Wang, Renqi

    2013-01-01

    Natural occurring organic compounds from food, natural organic matter, as well as metabolic products have received intense attention in current chemical and biological studies. Examination of unknown compounds in complex sample matrices is hampered by the limited choices for data readout and molecular elucidation. Herein, we report a generic method of hydrophilic interaction chromatography (HILIC) coupled with matrix assisted laser desorption/ionization mass spectrometry (MALDI-MS) for the rapid characterization of ingredients in pharmaceutical compounds, tea, and coffee. The analytes were first fractionated using a cationic HILIC column prior to MALDI-MS analyses. It was found that the retention times of a compound arising from different samples were consistent under the same conditions. Accordingly, molecules can be readily characterized by both the mass and chromatographic retention time. The retention behaviors of acidic and basic compounds on the cationic HILIC column were found to be significantly influenced by the pH of mobile phases, whereas neutral compounds depicted a constant retention time at different pH. The general HILIC-MALDI-MS method is feasible for fast screening of naturally occurring organic compounds. A series of homologs can be determined if they have the same retention behavior. Their structural features can be elucidated by considering their mass differences and hydrophilic properties as determined by HILIC chromatogram. © 2013 The Royal Society of Chemistry.

  19. Three dimensional liquid chromatography coupling ion exchange chromatography/hydrophobic interaction chromatography/reverse phase chromatography for effective protein separation in top-down proteomics.

    Science.gov (United States)

    Valeja, Santosh G; Xiu, Lichen; Gregorich, Zachery R; Guner, Huseyin; Jin, Song; Ge, Ying

    2015-01-01

    To address the complexity of the proteome in mass spectrometry (MS)-based top-down proteomics, multidimensional liquid chromatography (MDLC) strategies that can effectively separate proteins with high resolution and automation are highly desirable. Although various MDLC methods that can effectively separate peptides from protein digests exist, very few MDLC strategies, primarily consisting of 2DLC, are available for intact protein separation, which is insufficient to address the complexity of the proteome. We recently demonstrated that hydrophobic interaction chromatography (HIC) utilizing a MS-compatible salt can provide high resolution separation of intact proteins for top-down proteomics. Herein, we have developed a novel 3DLC strategy by coupling HIC with ion exchange chromatography (IEC) and reverse phase chromatography (RPC) for intact protein separation. We demonstrated that a 3D (IEC-HIC-RPC) approach greatly outperformed the conventional 2D IEC-RPC approach. For the same IEC fraction (out of 35 fractions) from a crude HEK 293 cell lysate, a total of 640 proteins were identified in the 3D approach (corresponding to 201 nonredundant proteins) as compared to 47 in the 2D approach, whereas simply prolonging the gradients in RPC in the 2D approach only led to minimal improvement in protein separation and identifications. Therefore, this novel 3DLC method has great potential for effective separation of intact proteins to achieve deep proteome coverage in top-down proteomics.

  20. Analysis of iminosugars and other low molecular weight carbohydrates in Aglaonema sp. extracts by hydrophilic interaction liquid chromatography coupled to mass spectrometry.

    Science.gov (United States)

    Rodríguez-Sánchez, S; García-Sarrió, M J; Quintanilla-López, J E; Soria, A C; Sanz, M L

    2015-12-01

    A method by hydrophilic interaction liquid chromatography coupled to tandem mass spectrometry (HILIC-MS(2)) has been successfully developed for the simultaneous analysis of bioactive iminosugars and other low molecular weight carbohydrates in Aglaonema leaf extracts. Among other experimental chromatographic conditions, mobile phase eluents, additives and column temperature were evaluated in terms of retention time, resolution, peak width and symmetry provided for target carbohydrates. In general, narrow peaks (wh: 0.2-0.6min) with good symmetry (As: 0.9-1.3) and excellent resolution (Rs>1.8) were obtained for iminosugars using an acetonitrile:water gradient with 5mM ammonium acetate in both eluents at 55°C. Tandem mass spectra were used to confirm the presence of previously detected iminosugars in Aglaonema extracts and to tentatively identify for the first time others such as miglitol isomer, glycosyl-miglitol isomers and glycosyl-DMDP isomers. Concentration of total iminosugars varied from 1.35 to 2.84mgg(-1) in the extracts of the different Aglaonema samples analyzed. To the best of our knowledge, this is the first time that a HILIC-MS(2) method has been proposed for the simultaneous analysis of iminosugars and other low molecular weight carbohydrates of Aglaonema sp. extracts.

  1. Development and validation of a hydrophilic interaction chromatography method coupled with a charged aerosol detector for quantitative analysis of nonchromophoric α-hydroxyamines, organic impurities of metoprolol.

    Science.gov (United States)

    Xu, Qun; Tan, Shane; Petrova, Katya

    2016-01-25

    The European Pharmacopeia (EP) metoprolol impurities M and N are polar, nonchromophoric α-hydroxyamines, which are poorly retained in a conventional reversed-phase chromatographic system and are invisible for UV detection. Impurities M and N are currently analyzed by TLC methods in the EP as specified impurities and in the United States Pharmacopeia-National Formulary (USP-NF) as unspecified impurities. In order to modernize the USP monographs of metoprolol drug substances and related drug products, a hydrophilic interaction chromatography (HILIC) method coupled with a charged aerosol detector (CAD) was explored for the analysis of the two impurities. A comprehensive column screening that covers a variety of HILIC stationary phases (underivatized silica, amide, diol, amino, zwitterionic, polysuccinimide, cyclodextrin, and mixed-mode) and optimization of HPLC conditions led to the identification of a Halo Penta HILIC column (4.6 × 150 mm, 5 μm) and a mobile phase comprising 85% acetonitrile and 15% ammonium formate buffer (100 mM, pH 3.2). Efficient separations of metoprolol, succinic acid, and EP metoprolol impurities M and N were achieved within a short time frame (metoprolol drug substance (metoprolol succinate) and drug products (metoprolol tartrate injection and metoprolol succinate extended release tablets).

  2. Coupled Cluster and Møller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions.

    Science.gov (United States)

    Boström, Jonas; Pitoňák, Michal; Aquilante, Francesco; Neogrády, Pavel; Pedersen, Thomas Bondo; Lindh, Roland

    2012-06-12

    We compute noncovalent intermolecular interaction energies for the S22 test set [Phys. Chem. Chem. Phys.2006, 8, 1985-1993] of molecules at the Møller-Plesset and coupled cluster levels of supermolecular theory using density fitting (DF) to approximate all two-electron integrals. The error due to the DF approximation is analyzed for a range of auxiliary basis sets derived from Cholesky decomposition (CD) in conjunction with correlation consistent and atomic natural orbital valence basis sets. A Cholesky decomposition threshold of 10(-4)Eh for full molecular CD and its one-center approximation (1C-CD) generally yields errors below 0.03 kcal/mol, whereas 10(-3)Eh is sufficient to obtain the same level of accuracy or better with the atomic CD (aCD) and atomic compact CD (acCD) auxiliary basis sets. Comparing to commonly used predefined auxiliary basis sets, we find that while the aCD and acCD sets are larger by a factor of 2-4 with triple-ζ AO basis sets, they provide results 1-2 orders of magnitude more accurate.

  3. Hydrophilic interaction ultra-performance liquid chromatography coupled with triple-quadrupole tandem mass spectrometry for highly rapid and sensitive analysis of underivatized amino acids in functional foods.

    Science.gov (United States)

    Zhou, Guisheng; Pang, Hanqing; Tang, Yuping; Yao, Xin; Mo, Xuan; Zhu, Shaoqing; Guo, Sheng; Qian, Dawei; Qian, Yefei; Su, Shulan; Zhang, Li; Jin, Chun; Qin, Yong; Duan, Jin-ao

    2013-05-01

    This work presented a new analytical methodology based on hydrophilic interaction ultra-performance liquid chromatography coupled with triple-quadrupole tandem mass spectrometry in multiple-reaction monitoring mode for analysis of 24 underivatized free amino acids (FAAs) in functional foods. The proposed method was first reported and validated by assessing the matrix effects, linearity, limit of detections and limit of quantifications, precision, repeatability, stability and recovery of all target compounds, and it was used to determine the nutritional substances of FAAs in ginkgo seeds and further elucidate the nutritional value of this functional food. The result showed that ginkgo seed turned out to be a good source of FAAs with high levels of several essential FAAs and to have a good nutritional value. Furthermore, the principal component analysis was performed to classify the ginkgo seed samples on the basis of 24 FAAs. As a result, the samples could be mainly clustered into three groups, which were similar to areas classification. Overall, the presented method would be useful for the investigation of amino acids in edible plants and agricultural products.

  4. Coupled resonator vertical cavity laser

    Energy Technology Data Exchange (ETDEWEB)

    Choquette, K.D.; Chow, W.W.; Hou, H.Q.; Geib, K.M.; Hammons, B.E.

    1998-01-01

    The monolithic integration of coupled resonators within a vertical cavity laser opens up new possibilities due to the unique ability to tailor the interaction between the cavities. The authors report the first electrically injected coupled resonator vertical-cavity laser diode and demonstrate novel characteristics arising from the cavity coupling, including methods for external modulation of the laser. A coupled mode theory is used model the output modulation of the coupled resonator vertical cavity laser.

  5. Dynamically simulating the interaction of midazolam and the CYP3A4 inhibitor itraconazole using individual coupled whole-body physiologically-based pharmacokinetic (WB-PBPK models

    Directory of Open Access Journals (Sweden)

    Jang In-Jin

    2007-03-01

    Full Text Available Abstract Background Drug-drug interactions resulting from the inhibition of an enzymatic process can have serious implications for clinical drug therapy. Quantification of the drugs internal exposure increase upon administration with an inhibitor requires understanding to avoid the drug reaching toxic thresholds. In this study, we aim to predict the effect of the CYP3A4 inhibitors, itraconazole (ITZ and its primary metabolite, hydroxyitraconazole (OH-ITZ on the pharmacokinetics of the anesthetic, midazolam (MDZ and its metabolites, 1' hydroxymidazolam (1OH-MDZ and 1' hydroxymidazolam glucuronide (1OH-MDZ-Glu using mechanistic whole body physiologically-based pharmacokinetic simulation models. The model is build on MDZ, 1OH-MDZ and 1OH-MDZ-Glu plasma concentration time data experimentally determined in 19 CYP3A5 genotyped adult male individuals, who received MDZ intravenously in a basal state. The model is then used to predict MDZ, 1OH-MDZ and 1OH-MDZ-Glu concentrations in an CYP3A-inhibited state following ITZ administration. Results For the basal state model, three linked WB-PBPK models (MDZ, 1OH-MDZ, 1OH-MDZ-Glu for each individual were elimination optimized that resulted in MDZ and metabolite plasma concentration time curves that matched individual observed clinical data. In vivo Km and Vmax optimized values for MDZ hydroxylation were similar to literature based in vitro measures. With the addition of the ITZ/OH-ITZ model to each individual coupled MDZ + metabolite model, the plasma concentration time curves were predicted to greatly increase the exposure of MDZ as well as to both increase exposure and significantly alter the plasma concentration time curves of the MDZ metabolites in comparison to the basal state curves. As compared to the observed clinical data, the inhibited state curves were generally well described although the simulated concentrations tended to exceed the experimental data between approximately 6 to 12 hours following

  6. Heightening in couple therapy.

    Science.gov (United States)

    Owen, Jesse; Quirk, Kelley

    2014-03-01

    Across couple therapeutic modalities, heightening interventions have been proposed as a mechanism of change. The current article describes how behavioral and emotion-focused heightening techniques can be facilitated in couple therapy. We provide actual case examples of psychotherapist interventions aimed at heightening couples' relational or emotional interaction. Ultimately, heightening encourages couples to confront difficult topics together, express vulnerable emotions, and make new meaning of the lived experiences that might be interfering with the quality of their relationship. (c) 2014 APA, all rights reserved.

  7. A missing piece of the puzzle in climate change hotspots: Near-surface turbulent interactions controlling ET-soil moisture coupling in semiarid areas

    Science.gov (United States)

    Haghighi, Erfan; Gianotti, Daniel J.; Rigden, Angela J.; Salvucci, Guido D.; Kirchner, James W.; Entekhabi, Dara

    2017-04-01

    Being located in the transitional zone between dry and wet climate areas, semiarid ecosystems (and their associated ecohydrological processes) play a critical role in controlling climate change and global warming. Land evapotranspiration (ET), which is a central process in the climate system and a nexus of the water, energy and carbon cycles, typically accounts for up to 95% of the water budget in semiarid areas. Thus, the manner in which ET is partitioned into soil evaporation and plant transpiration in these settings is of practical importance for water and carbon cycling and their feedbacks to the climate system. ET (and its partitioning) in these regions is primarily controlled by surface soil moisture which varies episodically under stochastic precipitation inputs. Important as the ET-soil moisture relationship is, it remains empirical, and physical mechanisms governing its nature and dynamics are underexplored. Thus, the objective of this study is twofold: (1) to provide observational evidence for the influence of surface cover conditions on ET-soil moisture coupling in semiarid regions using soil moisture data from NASA's SMAP satellite mission combined with independent observationally based ET estimates, and (2) to develop a relatively simple mechanistic modeling platform improving our physical understanding of interactions between micro and macroscale processes controlling ET and its partitioning in partially vegetated areas. To this end, we invoked concepts from recent progress in mechanistic modeling of turbulent energy flux exchange in bluff-rough regions, and developed a physically based ET model that explicitly accounts for how vegetation-induced turbulence in the near-surface region influences soil drying and thus ET rates and dynamics. Model predictions revealed nonlinearities in the strength of the ET-soil moisture relationship (i.e., ∂ET/∂θ) as vegetation cover fraction increases, accounted for by the nonlinearity of surface

  8. Coupled modelling of flow and biofilm in a laminar flow regime through a high-resolution fluid-structure interaction (FSI) solver

    Science.gov (United States)

    Sinha, Sumit; Hardy, Richard; Smith, Gregory; Kazemifar, Farzan; Christensen, Kenneth; Best, Jim

    2017-04-01

    Biofilms are ubiquitously present in fluvial systems, growing on almost all wetted surface and has a significant impact on both water quantity, in terms of ambient flow condition, as well as water quality, biofilms growing in water distribution system leads to unwanted contamination. The local hydraulic conditions have a significant impact on the biofilm lifecycle as in order to sustain their growth biofilms draw essential nutrients either from the flow or from the surface on which they grow. This implies that in convection dominated flow, nutrient transfer from water, would nurture the growth of biofilms. However, at higher flow rates biofilms are subjected to higher stresses which may lead to their detachment. Furthermore, biofilms in ambient flow conditions oscillate and therefore alter the local flow conditions. There is, therefore, a complex feedback between biofilms and flow which have has implications for flow dynamics and water quality issues in riverine ecosystems. The research presented here describes a fluid-structure interaction solver to examine the coupled nature of biofilm oscillations due to the ambient flow and its feedback on the local flow structures. The fluid flow is modelled by the incompressible Navier-Stokes equations and structural deformation of the biofilm is modeled by applying a linear elastic model. The governing equations are numerically solved through Finite Volume methodology based on cell-centered scheme. Simulations are conducted in a laminar regime for a biofilm streamer modelled as moving slender plate. The temporal evolution of the pressure, flow structures are examined in the vicinity of the biofilm. Further investigations examine the impact of changing Reynolds number on the oscillation frequency as well as drag and lift forces experienced by the biofilm. The changing frequency of biofilm oscillation with varying Reynolds number is characterized by the Strouhal number (St). Our investigation reveals that as the flow separates

  9. Exploring the Interactions among Beetle-induced Changes in Catchment-scale Ecohydrology, Land Surface Fluxes and the Lower Atmosphere with a Coupled Hydrology-Atmospheric Model.

    Science.gov (United States)

    Forrester, M. M.; Maxwell, R. M.; Bearup, L. A.; Gochis, D.; Porter, A.

    2015-12-01

    The mountain pine beetle has dramatically altered ecohydrologic processes of lodgepole pine forests in western North America, having caused one of the largest insect-driven tree mortalities in recorded history. Documented and modeled responses to forest mortality include cessation of overstory transpiration, local increases in soil moisture, changes in snow accumulation and ablation, differences in groundwater and runoff contributions to streamflow, changes in sensible and latent heat partitioning, and higher surface temperatures and ground evaporation. However, the scale-sensitivity, spatial variability and interdependence of these responses, and the simultaneous process of forest recovery, mean that watershed response to infestation is often inconsistent and damped at large scales, making it difficult to capture individual hydrologic and energy components of disturbance. This study resolves complicated feedbacks from disturbance at the land surface to responses in the atmosphere with the use of the physically-based, integrated hydrologic model ParFlow, coupled to the Weather Research and Forecasting (WRF) atmospheric model. The model domain, constructed at 1-km resolution, encompasses a 25,200 square kilometer region over a Rocky Mountain headwaters catchment in Colorado. Land use and vegetation parameters within WRF were adjusted in a detailed ensemble approach to reflect beetle-induced reductions in stomatal conductivity and LAI. Results show spatially variable but generally increased soil moisture and water yield with infestation. Subsequent disturbance of the sensible and latent heat balance propagates into the atmosphere, influencing atmospheric moisture, stability and even precipitation. This work presents the applicability of a deterministic, integrated climate-hydrologic model to identify complicated physical interactions occurring with forest disturbance, which may not be discernable with simpler models or observations.

  10. G-Protein-Coupled Receptor Kinase 4 Polymorphisms and Blood Pressure Response to Metoprolol Among African Americans: Sex-Specificity and Interactions

    Science.gov (United States)

    Bhatnagar, Vibha; O’Connor, Daniel T.; Brophy, Victoria H.; Schork, Nicholas J.; Richard, Erin; Salem, Rany M.; Nievergelt, Caroline M.; Bakris, George L.; Middleton, John P.; Norris, Keith C.; Wright, Jackson; Hiremath, Leena; Contreras, Gabriel; Appel, Lawrence J.; Lipkowitz, Michael S.

    2009-01-01

    BACKGROUND African Americans have a disproportionate burden of hypertension and comorbid disease. Pharmacogenetic markers of blood pressure response have yet to be defined clearly. This study explores the association between G-protein-coupled receptor kinase type 4 (GRK4) variants and blood pressure response to metoprolol among African Americans with early hypertensive nephrosclerosis. METHODS Participants from the African American Study of Kidney Disease and Hypertension (AASK) trial were genotyped at three GRK4 polymorphisms: R65L, A142V, and A486V. A Cox proportional hazards model, stratified by gender, was used to determine the relationship between GRK4 variants and time to reach a mean arterial pressure (MAP) of 107 mm Hg, adjusted for other predictors of blood pressure response. Potential interactions between the three polymorphisms were explored by analyzing the effects of gene haplotypes and by stratifying the analysis by neighboring sites. RESULTS The hazard ratio with 95% confidence interval by A142V among men randomized to a usual MAP (102–107 mm Hg) was 1.54 (1.11–2.44; P = 0.0009). The hazard ratio by A142V with R65/L65 or L65/L65 was 2.14 (1.35–3.39; P = 0.001). Haplotype analyses were consistent but inconclusive. There was no association between A142V and blood pressure response among women. CONCLUSIONS Results suggest a sex-specific relationship between GRK4 A142V and blood pressure response among African-American men with early hypertensive nephrosclerosis. Men with a GRK4 A142 were less responsive to metoprolol if they had a GRK4 L65 variant. The effect of GRK4 variants and blood pressure response to metoprolol should be studied in larger clinical trials. PMID:19119263

  11. Simulating groundwater-surface water interactions in the Canadian Prairies using a coupled land-atmosphere model (ParFlow-CLM)

    Science.gov (United States)

    Ali, M. A.; Ireson, A. M.; Keim, D.

    2015-12-01

    The Canadian prairies are cold and dry. Surface depressions are ubiquitous, and contain permanent or ephemeral ponds. The ponds are filled by snowmelt and precipitation on the ponds and lose a significant portion of their water to evaporation, but also, depending on their landscape position, may spill to other ponds or channels, recharge groundwater, or received groundwater discharge. Since precipitation and actual evaporation are closely balanced, the pond water balances are very sensitive to change in climate, and the prairies in general have been subject to damaging floods and droughts, in particular in the last decade or two. A 2.25 km2 field site at St Denis, central Saskatchewan, contains over 100 ponds, some permanent, some ephemeral, some saline, some fresh, some recharging groundwater, some receiving groundwater discharge. The site has been extensively studied for almost 50 years, with about one decade of continuous meteorological data, and three years of detailed pond level, soil moisture and temperature, and groundwater data. The objective of this study was to assess the performance of PARFLOW-CLM (a coupled land-atmosphere model) in simulating the pond-groundwater interactions at this site. Our conceptual model of the site includes soil properties that are progressively weathered with depth, and we implement this in a simplified dual permeability mathematical model of the soil hydraulic properties, whereby storage is dominated by the matrix and flow is dominated by macropores. The model performance was surprisingly good, doing quite a good job of capturing the observed groundwater and pond level dynamics. The soil freezing regime is also captured reasonably well, though the timing and pattern of the zero degree isotherm during soil thaw, which is critically important for runoff generation processes, was not captured as well. The model provides credible insights into the spatial patterns of evapotranspiration, and the seasonal dynamics of subsurface

  12. Investigation of the Binding Interaction of Fatty Acids with Human G Protein-Coupled Receptor 40 Using a Site-Specific Fluorescence Probe by Flow Cytometry.

    Science.gov (United States)

    Ren, Xiao-Min; Cao, Lin-Ying; Zhang, Jing; Qin, Wei-Ping; Yang, Yu; Wan, Bin; Guo, Liang-Hong

    2016-04-01

    Human G protein-coupled receptor 40 (hGPR40), with medium- and long-chain free fatty acids (FFAs) as its natural ligands, plays an important role in the enhancement of glucose-dependent insulin secretion. To date, information about the direct binding of FFAs to hGPR40 is very limited, and how carbon-chain length affects the activities of FFAs on hGPR40 is not yet understood. In this study, a fluorescein-fasiglifam analogue (F-TAK-875A) conjugate was designed and synthesized as a site-specific fluorescence probe to study the interaction of FFAs with hGPR40. hGPR40 was expressed in human embryonic kidney 293 cells and labeled with F-TAK-875A. By using flow cytometry, competitive binding of FFA and F-TAK-875A to hGPR40-expressed cells was measured. Binding affinities of 18 saturated FFAs, with carbon-chain lengths ranging from C6 to C23, were analyzed. The results showed that the binding potencies of FFAs to hGPR40 were dependent on carbon length. There was a positive correlation between length and binding potency for seven FFAs (C9-C15), with myristic acid (C15) showing the highest potency, 0.2% relative to TAK-875. For FFAs with a length of fewer than C9 or more than C15, they had very weak or no binding. Molecular docking results showed that the binding pocket of TAK-875 in hGPR40 could enclose FFAs with lengths of C15 or fewer. However, for FFAs with lengths longer than C15, part of the alkyl chain extended out of the binding pocket. This study provided insights into the structural dependence of FFAs binding to and activation of hGPR40.

  13. Comparison of hydrophilic interaction and reversed phase liquid chromatography coupled with tandem mass spectrometry for the determination of eight artificial sweeteners and common steviol glycosides in popular beverages.

    Science.gov (United States)

    Kubica, Paweł; Namieśnik, Jacek; Wasik, Andrzej

    2016-08-05

    Hydrophilic interaction liquid chromatography (HILIC) coupled with tandem mass spectrometry (MS/MS) was used to separate artificial and natural sweeteners approved for use in European Union (EU). Among three tested HILIC columns (BlueOrchid PAL-HILIC, Ascentis Express Si and Acclaim™ Trinity™ P2) the last one was selected for the development of HILIC method due to the best results obtained with it. Early eluting and coeluting compounds in HILIC (acesulfame-K, saccharin, cyclamate, sucralose and aspartame) were successfully separated by the HILIC-based approach for the first time. The developed HILIC method allows for determination of all high potency sweeteners in one analytical run. The calibration curves for all analytes had good linearity within the tested ranges. The limits of detection and quantitation were in the range 0.81-3.30ng/mL and 2.32-9.89ng/mL, respectively. The obtained recoveries used for trueness and precision estimation were from 98.6% to 106.2% with standard deviation less than 4.1%. Sample preparation was reduced to a necessary minimum and contained only proper dilution and centrifugation. More than twenty samples of beverages were analyzed with the developed HILIC method. Finally, the chromatographic parameters of peaks (reduced retention time, width at baseline, width at 50% of peak height, tailing factor and efficiency) obtained in HILIC mode and in RPLC mode were compared. Developed HILIC method along with RPLC method can be applied for rapid evaluation of sweeteners' content, quality and safety control.

  14. Light-matter interactions in semiconductor nanowires: Light-effect transistor and light-induced changes in electron-phonon coupling and electrical characteristics

    Science.gov (United States)

    Marmon, Jason Kendrick

    This dissertation explores three related embodiments of light-matter interactions at the micro- and nano-scales, and is focused towards tangible device applications. The first topic provides a fundamentally different transistor or electronic switch mechanism, which is termed a light-effect transistor (LET). The LET, unlike exotic techniques, provides a practical and viable approach using existing fabrication processes. Electronic devices at the nanoscale operate within the ballistic regime, where the dominate source of energy loss comes from impurity scattering. As a LET does not require extrinsic doping, it circumvents this issue. Electron-phonon coupling, however, is the second largest source, and it is a pertinent and important parameter affecting electronic conductivity and energy efficiency, such as in LETs. The third topic is laser writing, or the use of a laser to perform post-growth modifications, to achieve specific optical and electrical characteristics. A LET offers electronic-optical hybridization at the component level, which can continue Moore's law to the quantum region without requiring a FET's fabrication complexity, e.g., physical gate and doping, by employing optical gating and photoconductivity. Multiple independent gates are therefore readily utilized to achieve unique functionalities without increasing chip space. LET device characteristics and novel digital and analog applications, such as optical logic gates and optical amplification, are explored. Prototype cadmium selenide (CdSe) nanowire-based LETs show output and transfer characteristics resembling advanced FETs, e.g., on/off ratios up to 1.0x10 6 with a source-drain voltage of 1.43 V, gate-power of 260 nW, and a subthreshold swing of 0.3 nW/decade (excluding losses). The LET platform offers new electronic-optical integration strategies and high speed and low energy electronic and optical computing approaches. Electron-phonon coupling is typically studied as an intrinsic property, which

  15. Brane Couplings from Bulk Loops

    OpenAIRE

    Georgi, Howard; Grant, Aaron K.; Hailu, Girma

    2000-01-01

    We compute loop corrections to the effective action of a field theory on a five-dimensional $S_1/Z_2$ orbifold. We find that the quantum loop effects of interactions in the bulk produce infinite contributions that require renormalization by four-dimensional couplings on the orbifold fixed planes. Thus bulk couplings give rise to renormalization group running of brane couplings.

  16. 基于功交互作用的耦合系统随机能量共振控制%The control of stochastic energetic resonance in a coupled system based on interaction of work

    Institute of Scientific and Technical Information of China (English)

    林敏; 张美丽; 黄咏梅

    2011-01-01

    The interaction of a coupled system and an external force is analyzed.The method of controlling stochastic energetic resonance is proposed from the viewpoint of work done and energy.According to the stochastic dynamics described by two-dimensional coupled Langevin equation, the thermodynamic relations of coupled systems based on single stochastic trajectories are established using microcosmic dynamics and macroscopic thermodynamic methods.By adjusting the periodic external force acting upon the control system, the work that is done on the coupled system by the input force acting on a controlled system and energy conversion relations are quantitatively characterized.The results show that the interaction of a coupled system, an input force and noise can be controlled by the control signal, and stochastic energetic resonance in a coupled system can be effectively controlled by the control signal.%分析了耦合系统与外界作用力的交互作用,从做功与能量的角度提出了控制随机能量共振的方法.根据二维耦合Langevin方程的随机动力学特性,采用微观动力学和宏观热力学方法,建立了基于单一随机轨线的耦合系统的热力学关系.通过调节施加于控制系统的周期性外力,定量刻画了作用于被控系统的输入力对耦合系统做功的大小与能量转换关系.结果表明,控制信号能控制耦合系统与输入力和噪声之间的相互作用,能有效地控制耦合系统的随机能量共振.

  17. Magnetic Interactions in the Copper Complex (L-Aspartato)(1,10-phenanthroline)copper(II) Hydrate. An Exchange-Coupled Extended System with Two Dissimilar Copper Ions.

    Science.gov (United States)

    Brondino, Carlos D.; Calvo, Rafael; Atria, Ana María; Spodine, Evgenia; Nascimento, Otaciro R.; Peña, Octavio

    1997-07-02

    We report EPR measurements in single-crystal samples at the microwave frequencies 9.8 and 34.3 GHz and magnetic susceptibility measurements in polycrystalline samples for the ternary complex of copper with aspartic acid and phenanthroline, (L-aspartato)(1,10-phenanthroline)copper(II) hydrate. The crystal lattice of this compound is composed of two dissimilar copper ions identified as Cu(A) and Cu(B), which are in two types of copper chains called A and B, respectively, running parallel to the b crystal axis. The copper ions in the A chains are connected by the aspartic acid molecule, and those in the B chains by a chemical path that involves a carboxylate bridge and a hydrogen bond. Both chains are held together by a complex network of hydrogen bonds and by hydrophobic interactions between aromatic amines. Magnetic susceptibility data indicate a Curie-Weiss behavior in the studied temperature range (2-300 K). The EPR spectra at 9.8 GHz display a single exchange collapsed resonance for any magnetic field orientation, in the so-called strong exchange regime. Those at 34.3 GHz are within the so-called weak exchange regime and display two resonances which belong to each type of copper ion chain. The decoupling of the spectra at 34.3 GHz using a theory based on Anderson's model for the case of two weakly exchange coupled spins S = (1)/(2) allows one to obtain the angular variation of the squares of the g-factor and the peak-to-peak line width of each resonance. This model also allows one to evaluate the exchange parameter |J(AB)/k| = 2.7(6) mK associated with the chemical path connecting dissimilar copper ions. The line width data obtained for each component of the spectra at 34.3 GHz are analyzed in terms of a model based on Kubo and Tomita's theory, to obtain the exchange parameters |J(A)/k| = 0.77(2) K and |J(B)/k| = 1.44(2) K associated with the chemical paths connecting the similar copper ions of types A and B, respectively.

  18. A novel method for the simultaneous analysis of seven biothiols in rice (Oryza sativa L.) using hydrophilic interaction chromatography coupled with electrospray tandem mass spectrometry.

    Science.gov (United States)

    Cao, Zhao-Yun; Sun, Li-Hua; Mou, Ren-Xiang; Zhou, Rong; Zhu, Zhi-Wei; Chen, Ming-Xue

    2015-01-22

    Analysis of biothiols is still problematic, due to their high polarity, oxidation sensitivity and time-consuming sample preparation. In this paper, a direct, rapid and sensitive method was developed for simultaneous quantification of unbound cysteine (Cys), glutathione (GSH) and phytochelatins (PCs) in rice leaf, stem and root samples by hydrophilic interaction chromatography coupled with electrospray tandem mass spectrometry (HILIC-MS/MS). Homogenized samples were extracted with water containing 50mM dithiothreitol, without derivatization and further clean-up, and the extracts were injected directly onto an Xbridge Amide-HILIC column (3.5μm, 150mm×2.1mm i.d.). The best chromatographic separation and MS sensitivity was achieved using a linear gradient elution with 10mM aqueous ammonium formate and acetonitrile as the mobile phase. In MS/MS mode the detection limit (S/N≥3) of seven biothiols was 3-105nM. Good linearities were observed (r>0.995) with linear dynamic range at least over three orders of magnitude. Recoveries for most analytes were within the range of 77-128%, with relative standard deviations less than 18.2%. The intra-day precision (n=7) was 6.1-11.7%, and the inter-day precision over 15 d (n=15) was 8.5-16.3% for all biothiols. The optimized HILIC-MS/MS method was applied to study the influence of different cadmium (Cd) concentrations (0, 1 and 50μM) on contents of Cys, GSH and PC2-6 in rice tissue. With increasing Cd concentrations in nutrient solutions, contents of PC2-4 in rice roots increased but contents of Cys and GSH decreased. Contents of PC2-4 in both rice leafs and stems increased markedly at high dose Cd (50μM) treatment compared with controls, compared with low Cd concentrations (1μM). However, both PC5 and PC6 were not detected throughout the stress experiment.

  19. Specific interaction of Gαi3 with the Oa1 G-protein coupled receptor controls the size and density of melanosomes in retinal pigment epithelium.

    Directory of Open Access Journals (Sweden)

    Alejandra Young

    Full Text Available BACKGROUND: Ocular albinism type 1, an X-linked disease characterized by the presence of enlarged melanosomes in the retinal pigment epithelium (RPE and abnormal crossing of axons at the optic chiasm, is caused by mutations in the OA1 gene. The protein product of this gene is a G-protein-coupled receptor (GPCR localized in RPE melanosomes. The Oa1-/- mouse model of ocular albinism reproduces the human disease. Oa1 has been shown to immunoprecipitate with the Gαi subunit of heterotrimeric G proteins from human skin melanocytes. However, the Gαi subfamily has three highly homologous members, Gαi1, Gαi2 and Gαi3 and it is possible that one or more of them partners with Oa1. We had previously shown by in-vivo studies that Gαi3-/- and Oa1-/- mice have similar RPE phenotype and decussation patterns. In this paper we analyze the specificity of the Oa1-Gαi interaction. METHODOLOGY: By using the genetic mouse models Gαi1-/-, Gαi2-/-, Gαi3-/- and the double knockout Gαi1-/-, Gαi3-/- that lack functional Gαi1, Gαi2, Gαi3, or both Gαi1 and Gαi3 proteins, respectively, we show that Gαi3 is critical for the maintenance of a normal melanosomal phenotype and that its absence is associated with changes in melanosomal size and density. GST-pull-down and immunoprecipitation assays conclusively demonstrate that Gαi3 is the only Gαi that binds to Oa1. Western blots show that Gαi3 expression is barely detectable in the Oa1-/- RPE, strongly supporting a previously unsuspected role for Gαi3 in melanosomal biogenesis. CONCLUSION: Our results identify the Oa1 transducer Gαi3 as the first downstream component in the Oa1 signaling pathway.

  20. A HPC “Cyber Wind Facility” Incorporating Fully-Coupled CFD/CSD for Turbine-Platform-Wake Interactions with the Atmosphere and Ocean

    Energy Technology Data Exchange (ETDEWEB)

    Brasseur, James G. [Univ. of Colorado, Boulder, CO (United States)

    2017-05-09

    The central aims of the DOE-supported “Cyber Wind Facility” project center on the recognition that wind turbines over land and ocean generate power from atmospheric winds that are inherently turbulent and strongly varying, both spatially over the rotor disk and in temporally as the rotating blades pass through atmospheric eddies embedded within the mean wind. The daytime unstable atmospheric boundary layer (ABL) is particularly variable in space time as solar heating generates buoyancy-driven motions that interact with strong mean shear in the ABL “surface layer,” the lowest 200 - 300 m where wind turbines reside in farms. With the “Cyber Wind Facility” (CWF) program we initiate a research and technology direction in which “cyber data” are generated from “computational experiments” within a “facility” akin to a wind tunnel, but with true space-time atmospheric turbulence that drive utility-scale wind turbines at full-scale Reynolds numbers. With DOE support we generated the key “modules” within a computational framework to create a first generation Cyber Wind Facility (CWF) for single wind turbines in the daytime ABL---both over land where the ABL globally unstable and over water with closer-to-neutral atmospheric conditions but with time response strongly affected by wave-induced forcing of the wind turbine platform (here a buoy configuration). The CWF program has significantly improved the accuracy of actuator line models, evaluated with the Cyber Wind Facility in full blade-boundary-layer-resolved mode. The application of the CWF made in this program showed the existence of important ramp-like response events that likely contribute to bearing fatigue failure on the main shaft and that the advanced ALM method developed here captures the primary nonsteady response characteristics. Long-time analysis uncovered distinctive key dynamics that explain primary mechanisms that underlie potentially deleterious load transients. We also showed