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Sample records for replica symmetric spin

  1. Spin Glass Field Theory with Replica Fourier Transforms

    NASA Astrophysics Data System (ADS)

    Pimentel, Iveta R.; De Dominicis, Cirano

    We develop a field theory for spin glasses using Replica Fourier Transforms (RFT). We present the formalism for the case of replica symmetry and the case of replica symmetry breaking on an ultrametric tree, with the number of replicas n and the number of replica symmetry breaking steps R generic integers. We show how the RFT applied to the two-replica fields allows to construct a new basis which block-diagonalizes the four-replica mass-matrix, into the replicon, anomalous and longitudinal modes. The eigenvalues are given in terms of the mass RFT and the propagators in the RFT space are obtained by inversion of the block-diagonal matrix. The formalism allows to express any i-replica vertex in the new RFT basis and hence enables to perform a standard perturbation expansion. We apply the formalism to calculate the contribution of the Gaussian fluctuations around the Parisi's solution for the free-energy of an Ising spin glass.

  2. Spin glass field theory with replica Fourier transforms

    NASA Astrophysics Data System (ADS)

    Pimentel, I. R.; De Dominicis, C.

    2014-11-01

    We develop a field theory for spin glasses using replica Fourier transforms (RFT). We present the formalism for the case of replica symmetry and the case of replica symmetry breaking on an ultrametric tree, with the number of replicas n and the number of replica symmetry breaking steps R generic integers. We show how the RFT applied to the two-replica fields allows one to construct a new basis which block-diagonalizes the four-replica mass-matrix, into the replicon, anomalous and longitudinal modes. The eigenvalues are given in terms of the mass RFT and the propagators in the RFT space are obtained by inversion of the block-diagonal matrix. The formalism allows one to express any i-replica vertex in the new RFT basis and hence enables one to perform a standard perturbation expansion. We apply the formalism to calculate the contribution of the Gaussian fluctuations around the Parisi solution for the free-energy of an Ising spin glass.

  3. Replica field theory and renormalization group for the Ising spin glass in an external magnetic field.

    PubMed

    Temesvári, T; De Dominicis, C

    2002-08-26

    We use the generic replica symmetric cubic field theory to study the transition of short-range Ising spin glasses in a magnetic field around the upper critical dimension. A novel fixed point is found from the application of the renormalization group. In the spin-glass limit, this fixed point governs the critical behavior of a class of systems characterized by a single cubic parameter. For this universality class, the spin-glass susceptibility diverges at criticality, whereas the longitudinal mode remains massive. The third mode, however, behaves unusually. The physical consequences of this unusual behavior are discussed, and a comparison with the conventional de Almeida-Thouless scenario is presented.

  4. Replica symmetry breaking in cold atoms and spin glasses

    NASA Astrophysics Data System (ADS)

    Rotondo, P.; Tesio, E.; Caracciolo, S.

    2015-01-01

    We consider a system composed by N atoms trapped within a multimode cavity, whose theoretical description is captured by a disordered multimode Dicke model. We show that in the resonant, zero-field limit the system exactly realizes the Sherrington-Kirkpatrick model. Upon a redefinition of the temperature, the same dynamics is realized in the dispersive, strong-field limit. This regime also gives access to spin-glass observables which can be used to detect replica symmetry breaking.

  5. The Replica Symmetric Solution for Potts Models on d-Regular Graphs

    NASA Astrophysics Data System (ADS)

    Dembo, Amir; Montanari, Andrea; Sly, Allan; Sun, Nike

    2014-04-01

    We establish an explicit formula for the limiting free energy density (log-partition function divided by the number of vertices) for ferromagnetic Potts models on uniformly sparse graph sequences converging locally to the d-regular tree for d even, covering all temperature regimes. This formula coincides with the Bethe free energy functional evaluated at a suitable fixed point of the belief propagation recursion on the d-regular tree, the so-called replica symmetric solution. For uniformly random d-regular graphs we further show that the replica symmetric Bethe formula is an upper bound for the asymptotic free energy for any model with permissive interactions.

  6. Broken Replica Symmetry Bounds in the Mean Field Spin Glass Model

    NASA Astrophysics Data System (ADS)

    Guerra, Francesco

    By using a simple interpolation argument, in previous work we have proven the existence of the thermodynamic limit, for mean field disordered models, including the Sherrington-Kirkpatrick model, and the Derrida p-spin model. Here we extend this argument in order to compare the limiting free energy with the expression given by the Parisi Ansatz, and including full spontaneous replica symmetry breaking. Our main result is that the quenched average of the free energy is bounded from below by the value given in the Parisi Ansatz, uniformly in the size of the system. Moreover, the difference between the two expressions is given in the form of a sum rule, extending our previous work on the comparison between the true free energy and its replica symmetric Sherrington-Kirkpatrick approximation. We give also a variational bound for the infinite volume limit of the ground state energy per site.

  7. Full replica symmetry breaking in p-spin-glass-like systems

    NASA Astrophysics Data System (ADS)

    Schelkacheva, T. I.; Chtchelkatchev, N. M.

    2017-02-01

    It is shown that continuously changing the effective number of interacting particles in p-spin-glass-like model allows to describe the transition from the full replica symmetry breaking glass solution to stable first replica symmetry breaking glass solution in the case of non-reflective symmetry diagonal operators used instead of Ising spins. As an example, axial quadrupole moments in place of Ising spins are considered and the boundary value pc 1 2.5 is found.

  8. The replica symmetric solution for orthogonally constrained Heisenberg model on Bethe lattice

    NASA Astrophysics Data System (ADS)

    Concetti, Francesco

    2017-02-01

    In this paper, we study the thermodynamic properties of a system of D-components classical Heisenberg spins lying on the vertices of a random regular graph, with an unconventional first neighbor non-random interaction J{{≤ft({{\\mathbf{S}}i}\\centerdot {{\\mathbf{S}}k}\\right)}2} . We can consider this model as a continuum version of anti-ferromagnetic D-states Potts model. We compute the paramagnetic free energy, using a new approach, presented in this paper for the first time, based on the replica method. Through the linear stability analysis, we obtain an instability line on the temperature-connectivity plane that provides a bound to the appearance of a phase transition. We also argue about the character of the instability observed.

  9. Replica symmetry breaking transition of the weakly anisotropic Heisenberg spin glass in magnetic fields.

    PubMed

    Imagawa, Daisuke; Kawamura, Hikaru

    2004-02-20

    The spin and the chirality orderings of the three-dimensional Heisenberg spin glass with the weak random anisotropy are studied under applied magnetic fields by equilibrium Monte Carlo simulations. A replica symmetry breaking transition occurs in the chiral sector accompanied by the simultaneous spin-glass order. The ordering behavior differs significantly from that of the Ising spin glass, despite the similarity in the global symmetry. Our observation is consistent with the spin-chirality decoupling-recoupling scenario of a spin-glass transition.

  10. Replica exchange simulations of the three-dimensional Ising spin glass: static and dynamic properties

    NASA Astrophysics Data System (ADS)

    Yucesoy, Burcu; Machta, Jonathan; Katzgraber, Helmut G.

    2012-02-01

    We present the results of a large-scale numerical study of the equilibrium three-dimensional Ising spin glass with Gaussian disorder. Using replica exchange (parallel tempering) Monte Carlo, we measure various static, as well as dynamical quantities, such as the autocorrelation times and round-trip times for the replica exchange Monte Carlo method. The correlation between static and dynamic observables for 5000 disorder realizations (N <=10^3 spins) down to very low temperatures (T 0.2Tc) is examined. Our results show that autocorrelation times are directly correlated with the roughness of the free energy landscape. We also discuss the size dependence of several static quantities.

  11. Chiral-glass transition and replica symmetry breaking of a three-dimensional heisenberg spin glass

    PubMed

    Hukushima; Kawamura

    2000-02-01

    Extensive equilibrium Monte Carlo simulations are performed for a three-dimensional Heisenberg spin glass with the nearest-neighbor Gaussian coupling to investigate its spin-glass and chiral-glass orderings. The occurrence of a finite-temperature chiral-glass transition without the conventional spin-glass order is established. Critical exponents characterizing the transition are different from those of the standard Ising spin glass. The calculated overlap distribution suggests the appearance of a peculiar type of replica-symmetry breaking in the chiral-glass ordered state.

  12. Performance of replica-exchange Wang-Landau sampling for the study of spin systems

    NASA Astrophysics Data System (ADS)

    Li, Ying Wai; Eisenbach, Markus; Vogel, Thomas; Wüst, Thomas; Landau, David P.

    2014-03-01

    The recently proposed replica-exchange Wang-Landau sampling (REWL) is a novel, massively parallel Monte Carlo method which allows for the parallelization of Wang-Landau sampling based on a replica-exchange framework. The robustness of the scheme is demonstrated by its broad applicability on a variety of spin systems: from the simplest models with discrete or continuous energy domains, to complex systems captured by large-scale first principles density functional theory calculations. The accuracy of REWL is studied by comparing the thermodynamic properties with exact solutions and results obtained by the original, serial Wang-Landau sampling. The principles for the speed-up, the strong and weak scaling behavior of REWL are also investigated when different parameter settings are employed. We will show, with the aid of selected spin systems, that the method accelerates the simulations significantly with a possible improved accuracy. Phys. Rev. Lett. 110, 210603 (2013)

  13. Random SU(2)-symmetric spin-S chains

    NASA Astrophysics Data System (ADS)

    Quito, V. L.; Hoyos, José A.; Miranda, E.

    2016-08-01

    We study the low-energy physics of a broad class of time-reversal invariant and SU(2)-symmetric one-dimensional spin-S systems in the presence of quenched disorder via a strong-disorder renormalization-group technique. We show that, in general, there is an antiferromagnetic phase with an emergent SU (2 S +1 ) symmetry. The ground state of this phase is a random singlet state in which the singlets are formed by pairs of spins. For integer spins, there is an additional antiferromagnetic phase which does not exhibit any emergent symmetry (except for S =1 ). The corresponding ground state is a random singlet one but the singlets are formed mostly by trios of spins. In each case the corresponding low-energy dynamics is activated, i.e., with a formally infinite dynamical exponent, and related to distinct infinite-randomness fixed points. The phase diagram has two other phases with ferromagnetic tendencies: a disordered ferromagnetic phase and a large spin phase in which the effective disorder is asymptotically finite. In the latter case, the dynamical scaling is governed by a conventional power law with a finite dynamical exponent.

  14. Orientational glass: Full replica symmetry breaking in generalized spin glass-like models without reflection symmetry

    NASA Astrophysics Data System (ADS)

    Tareyeva, E. E.; Schelkacheva, T. I.; Chtchelkatchev, N. M.

    2013-02-01

    We investigate near the point of glass transition the expansion of the free energy corresponding to the generalized Sherrington-Kirkpatrick model with arbitrary diagonal operators Uˆ standing instead of Ising spins. We focus on the case when Uˆ is an operator with broken reflection symmetry. Such a consideration is important for understanding the behavior of spin glass-like phases in a number of real physical systems, mainly in orientational glasses in mixed molecular crystals which present just the case. We build explicitly a full replica symmetry breaking (FRSB) solution of the equations for the orientational glass order parameters when the nonsymmetric part of Uˆ is small. This particular result presents a counterexample in the context of usually adopted conjecture of the absence of FRSB solution in systems with no reflection symmetry.

  15. Short-range Ising spin glasses: The metastate interpretation of replica symmetry breaking

    NASA Astrophysics Data System (ADS)

    Read, N.

    2014-09-01

    Parisi's formal replica-symmetry-breaking (RSB) scheme for mean-field spin glasses has long been interpreted in terms of many pure states organized ultrametrically. However, the early version of this interpretation, as applied to the short-range Edwards-Anderson model, runs into problems because as shown by Newman and Stein (NS) it does not allow for chaotic size dependence, and predicts non-self-averaging that cannot occur. NS proposed the concept of the metastate (a probability distribution over infinite-size Gibbs states in a given sample that captures the effects of chaotic size dependence) and a nonstandard interpretation of the RSB results in which the metastate is nontrivial and is responsible for what was called non-self-averaging. In this picture, each state drawn from the metastate has the ultrametric properties of the old theory, but when the state is averaged using the metastate, the resulting mixed state has little structure. This picture was constructed so as to agree both with the earlier RSB results and with rigorous results. Here we use the effective field theory of RSB, in conjunction with the rigorous definitions of pure states and the metastate in infinite-size systems, to show that the nonstandard picture follows directly from the RSB mean-field theory. In addition, the metastate-averaged state possesses power-law correlations throughout the low-temperature phase; the corresponding exponent ζ takes the value 4 according to the field theory in high dimensions d, and describes the effective fractal dimension of clusters of spins. Further, the logarithm of the number of pure states in the decomposition of the metastate-averaged state that can be distinguished if only correlations in a window of size W can be observed is of order Wd -ζ. These results extend the nonstandard picture quantitatively; we show that arguments against this scenario are inconclusive. More generally, in terms of Parisi's function q (x), if q(0)≠∫01dxq(x ), then the

  16. Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study.

    PubMed

    Perera, Dilina; Vogel, Thomas; Landau, David P

    2016-10-01

    Coupled, dynamical spin-lattice models provide a unique test ground for simulations investigating the finite-temperature magnetic properties of materials under the direct influence of the lattice vibrations. These models are constructed by combining a coordinate-dependent interatomic potential with a Heisenberg-like spin Hamiltonian, facilitating the treatment of both the atomic coordinates and the spins as explicit phase variables. Using a model parameterized for bcc iron, we study the magnetic phase transition in these complex systems via the recently introduced, massively parallel replica-exchange Wang-Landau Monte Carlo method. Comparison with the results obtained from rigid lattice (spin-only) simulations shows that the transition temperature as well as the amplitude of the peak in the specific heat curve is marginally affected by the lattice vibrations. Moreover, the results were found to be sensitive to the particular choice of interatomic potential.

  17. Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study

    NASA Astrophysics Data System (ADS)

    Perera, Dilina; Vogel, Thomas; Landau, David P.

    2016-10-01

    Coupled, dynamical spin-lattice models provide a unique test ground for simulations investigating the finite-temperature magnetic properties of materials under the direct influence of the lattice vibrations. These models are constructed by combining a coordinate-dependent interatomic potential with a Heisenberg-like spin Hamiltonian, facilitating the treatment of both the atomic coordinates and the spins as explicit phase variables. Using a model parameterized for bcc iron, we study the magnetic phase transition in these complex systems via the recently introduced, massively parallel replica-exchange Wang-Landau Monte Carlo method. Comparison with the results obtained from rigid lattice (spin-only) simulations shows that the transition temperature as well as the amplitude of the peak in the specific heat curve is marginally affected by the lattice vibrations. Moreover, the results were found to be sensitive to the particular choice of interatomic potential.

  18. Replica exchange Monte Carlo simulations of the ising spin glass: Static and dynamic properties

    NASA Astrophysics Data System (ADS)

    Yucesoy, Burcu

    Spin glasses have been the subject of intense study and considerable controversy for decades, and the low-temperature phase of short-range spin glasses is still poorly understood. Our main goal is to improve our understanding in this area and find an answer to the following question: Are there only a single pair or a countable infinity of pure states in the low temperature phase of the EA spin glass? To that aim we first start by introducing spin glasses and provide a brief history of their research, then proceed to describe our method of simulation, the parallel tempering Monte Carlo algorithm. Next, we present the results of a large-scale numerical study of the equilibrium three-dimensional Edwards-Anderson Ising spin glass with Gaussian disorder. In order to understand how the parallel tempering algorithm works, we measure various static, as well as dynamical quantities, such as the autocorrelation times and round-trip times for the parallel tempering Monte Carlo method. We examine the correlation between static and dynamic observables for ˜ 5000 disorder realizations and up to 1000 spins down to temperatures at 20% of the critical temperature, and our results show that autocorrelation times are directly correlated with the roughness of the free-energy landscape. In the following chapters, the three- and four-dimensional Edwards-Anderson and mean-field Sherrington-Kirkpatrick Ising spin glasses are studied again via large scale Monte Carlo simulations at low temperatures, deep within the spin glass phase. Performing a careful statistical analysis of several thousand independent disorder realizations and using an observable that detects peaks in the overlap distribution, we show that the Sherrington-Kirkpatrick and Edwards-Anderson models have a distinctly different low-temperature behavior. We arrive to the following conclusion: The structure of the spin-glass overlap distribution for the Edwards-Anderson model suggests that its low-temperature phase has only a

  19. Replica symmetry breaking for anisotropic magnets with quenched disorder

    NASA Astrophysics Data System (ADS)

    Kogan, E.; Kaveh, M.

    2017-01-01

    We study critical behaviour of a magnet with cubic anisotropy and quenched scalar disorder which is taken into account by replica method. We derive to first order in ε approximation the renormalization group equations taking into account possible replica symmetry breaking. We study the stability of the replica symmetric fixed points with respect to perturbations without (in general case) replica symmetry. However, we find that if a fixed point is stable with respect to replica symmetric deviations, it is also stable with respect to deviations without replica symmetry.

  20. Interface free-energy exponent in the one-dimensional Ising spin glass with long-range interactions in both the droplet and broken replica symmetry regions.

    PubMed

    Aspelmeier, T; Wang, Wenlong; Moore, M A; Katzgraber, Helmut G

    2016-08-01

    The one-dimensional Ising spin-glass model with power-law long-range interactions is a useful proxy model for studying spin glasses in higher space dimensions and for finding the dimension at which the spin-glass state changes from having broken replica symmetry to that of droplet behavior. To this end we have calculated the exponent that describes the difference in free energy between periodic and antiperiodic boundary conditions. Numerical work is done to support some of the assumptions made in the calculations and to determine the behavior of the interface free-energy exponent of the power law of the interactions. Our numerical results for the interface free-energy exponent are badly affected by finite-size problems.

  1. Interface free-energy exponent in the one-dimensional Ising spin glass with long-range interactions in both the droplet and broken replica symmetry regions

    NASA Astrophysics Data System (ADS)

    Aspelmeier, T.; Wang, Wenlong; Moore, M. A.; Katzgraber, Helmut G.

    2016-08-01

    The one-dimensional Ising spin-glass model with power-law long-range interactions is a useful proxy model for studying spin glasses in higher space dimensions and for finding the dimension at which the spin-glass state changes from having broken replica symmetry to that of droplet behavior. To this end we have calculated the exponent that describes the difference in free energy between periodic and antiperiodic boundary conditions. Numerical work is done to support some of the assumptions made in the calculations and to determine the behavior of the interface free-energy exponent of the power law of the interactions. Our numerical results for the interface free-energy exponent are badly affected by finite-size problems.

  2. High performance current and spin diode of atomic carbon chain between transversely symmetric ribbon electrodes

    PubMed Central

    Dong, Yao-Jun; Wang, Xue-Feng; Yang, Shuo-Wang; Wu, Xue-Mei

    2014-01-01

    We demonstrate that giant current and high spin rectification ratios can be achieved in atomic carbon chain devices connected between two symmetric ferromagnetic zigzag-graphene-nanoribbon electrodes. The spin dependent transport simulation is carried out by density functional theory combined with the non-equilibrium Green's function method. It is found that the transverse symmetries of the electronic wave functions in the nanoribbons and the carbon chain are critical to the spin transport modes. In the parallel magnetization configuration of two electrodes, pure spin current is observed in both linear and nonlinear regions. However, in the antiparallel configuration, the spin-up (down) current is prohibited under the positive (negative) voltage bias, which results in a spin rectification ratio of order 104. When edge carbon atoms are substituted with boron atoms to suppress the edge magnetization in one of the electrodes, we obtain a diode with current rectification ratio over 106. PMID:25142376

  3. Spin-orbit torque in Pt/CoNiCo/Pt symmetric devices

    PubMed Central

    Yang, Meiyin; Cai, Kaiming; Ju, Hailang; Edmonds, Kevin William; Yang, Guang; Liu, Shuai; Li, Baohe; Zhang, Bao; Sheng, Yu; Wang, Shouguo; Ji, Yang; Wang, Kaiyou

    2016-01-01

    Current induced magnetization switching by spin-orbit torques offers an energy-efficient means of writing information in heavy metal/ferromagnet (FM) multilayer systems. The relative contributions of field-like torques and damping-like torques to the magnetization switching induced by the electrical current are still under debate. Here, we describe a device based on a symmetric Pt/FM/Pt structure, in which we demonstrate a strong damping-like torque from the spin Hall effect and unmeasurable field-like torque from Rashba effect. The spin-orbit effective fields due to the spin Hall effect were investigated quantitatively and were found to be consistent with the switching effective fields after accounting for the switching current reduction due to thermal fluctuations from the current pulse. A non-linear dependence of deterministic switching of average Mz on the in-plane magnetic field was revealed, which could be explained and understood by micromagnetic simulation. PMID:26856379

  4. Spin-orbit torque in Pt/CoNiCo/Pt symmetric devices

    NASA Astrophysics Data System (ADS)

    Yang, Meiyin; Cai, Kaiming; Ju, Hailang; Edmonds, Kevin William; Yang, Guang; Liu, Shuai; Li, Baohe; Zhang, Bao; Sheng, Yu; Wang, Shouguo; Ji, Yang; Wang, Kaiyou

    2016-02-01

    Current induced magnetization switching by spin-orbit torques offers an energy-efficient means of writing information in heavy metal/ferromagnet (FM) multilayer systems. The relative contributions of field-like torques and damping-like torques to the magnetization switching induced by the electrical current are still under debate. Here, we describe a device based on a symmetric Pt/FM/Pt structure, in which we demonstrate a strong damping-like torque from the spin Hall effect and unmeasurable field-like torque from Rashba effect. The spin-orbit effective fields due to the spin Hall effect were investigated quantitatively and were found to be consistent with the switching effective fields after accounting for the switching current reduction due to thermal fluctuations from the current pulse. A non-linear dependence of deterministic switching of average Mz on the in-plane magnetic field was revealed, which could be explained and understood by micromagnetic simulation.

  5. An open-shell restricted Hartree-Fock perturbation theory based on symmetric spin orbitals

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Jayatilaka, Dylan

    1993-01-01

    A new open-shell perturbation theory is formulated in terms of symmetric spin orbitals. Only one set of spatial orbitals is required, thereby reducing the number of independent coefficients in the perturbed wavefunctions. For second order, the computational cost is shown to be similar to a closed-shell calculation. This formalism is therefore more efficient than the recently developed RMP, ROMP or RMP-MBPT theories. The perturbation theory described herein was designed to have a close correspondence with our recently proposed coupled-cluster theory based on symmetric spin orbitals. The first-order wavefunction contains contributions from only doubly excited determinants. Equilibrium structures and vibrational frequencies determined from second-order perturbation theory are presented for OH, NH, CH, 02, NH2 and CH2.

  6. Hyperfine coupling of hole and nuclear spins in symmetric (111)-grown GaAs quantum dots

    NASA Astrophysics Data System (ADS)

    Vidal, M.; Durnev, M. V.; Bouet, L.; Amand, T.; Glazov, M. M.; Ivchenko, E. L.; Zhou, P.; Wang, G.; Mano, T.; Kuroda, T.; Marie, X.; Sakoda, K.; Urbaszek, B.

    2016-09-01

    In self-assembled III-V semiconductor quantum dots, valence holes have longer spin coherence times than the conduction electrons, due to their weaker coupling to nuclear spin bath fluctuations. Prolonging hole spin stability relies on a better understanding of the hole to nuclear spin hyperfine coupling which we address both in experiment and theory in the symmetric (111) GaAs/AlGaAs droplet dots. In magnetic fields applied along the growth axis, we create a strong nuclear spin polarization detected through the positively charged trion X+ Zeeman and Overhauser splittings. The observation of four clearly resolved photoluminescence lines—a unique property of the (111) nanosystems—allows us to measure separately the electron and hole contribution to the Overhauser shift. The hyperfine interaction for holes is found to be about five times weaker than that for electrons. Our theory shows that this ratio depends not only on intrinsic material properties but also on the dot shape and carrier confinement through the heavy-hole mixing, an opportunity for engineering the hole-nuclear spin interaction by tuning dot size and shape.

  7. Spin Calogero models associated with Riemannian symmetric spaces of negative curvature

    NASA Astrophysics Data System (ADS)

    Fehér, L.; Pusztai, B. G.

    2006-09-01

    The Hamiltonian symmetry reduction of the geodesics system on a symmetric space of negative curvature by the maximal compact subgroup of the isometry group is investigated at an arbitrary value of the momentum map. Restricting to regular elements in the configuration space, the reduction generically yields a spin Calogero model with hyperbolic interaction potentials defined by the root system of the symmetric space. These models come equipped with Lax pairs and many constants of motion, and can be integrated by the projection method. The special values of the momentum map leading to spinless Calogero models are classified under some conditions, explaining why the BC models with two independent coupling constants are associated with SU(n+1,n)/S(U(n+1)×U(n)) as found by Olshanetsky and Perelomov. In the zero curvature limit our models reproduce rational spin Calogero models studied previously and similar models correspond to other (affine) symmetric spaces, too. The construction works at the quantized level as well.

  8. Development of New Open-Shell Perturbation and Coupled-Cluster Theories Based on Symmetric Spin Orbitals

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Arnold, James O. (Technical Monitor)

    1994-01-01

    A new spin orbital basis is employed in the development of efficient open-shell coupled-cluster and perturbation theories that are based on a restricted Hartree-Fock (RHF) reference function. The spin orbital basis differs from the standard one in the spin functions that are associated with the singly occupied spatial orbital. The occupied orbital (in the spin orbital basis) is assigned the delta(+) = 1/square root of 2(alpha+Beta) spin function while the unoccupied orbital is assigned the delta(-) = 1/square root of 2(alpha-Beta) spin function. The doubly occupied and unoccupied orbitals (in the reference function) are assigned the standard alpha and Beta spin functions. The coupled-cluster and perturbation theory wave functions based on this set of "symmetric spin orbitals" exhibit much more symmetry than those based on the standard spin orbital basis. This, together with interacting space arguments, leads to a dramatic reduction in the computational cost for both coupled-cluster and perturbation theory. Additionally, perturbation theory based on "symmetric spin orbitals" obeys Brillouin's theorem provided that spin and spatial excitations are both considered. Other properties of the coupled-cluster and perturbation theory wave functions and models will be discussed.

  9. New classes of bi-axially symmetric solutions to four-dimensional Vasiliev higher spin gravity

    NASA Astrophysics Data System (ADS)

    Sundell, Per; Yin, Yihao

    2017-01-01

    We present new infinite-dimensional spaces of bi-axially symmetric asymptotically anti-de Sitter solutions to four-dimensional Vasiliev higher spin gravity, obtained by modifications of the Ansatz used in arXiv:1107.1217, which gave rise to a Type-D solution space. The current Ansatz is based on internal semigroup algebras (without identity) generated by exponentials formed out of the bi-axial symmetry generators. After having switched on the vacuum gauge function, the resulting generalized Weyl tensor is given by a sum of generalized Petrov type-D tensors that are Kerr-like or 2-brane-like in the asymptotic AdS4 region, and the twistor space connection is smooth in twistor space over finite regions of spacetime. We provide evidence for that the linearized twistor space connection can be brought to Vasiliev gauge.

  10. Combining symmetry-separated and bent-bond spin-coupled models of cylindrically symmetric multiple bonding

    NASA Astrophysics Data System (ADS)

    Penotti, Fabio E.; Cooper, David L.

    2015-07-01

    We examine the symmetry properties of spin-coupled (or full generalised valence bond) wavefunctions for C2H2 and N2. The symmetry-separated (σ,π) and bent-bond (ω) solutions are totally symmetric only in the D4h and D3h subgroups of D∞h, respectively. Two fairly different strategies are explored for imposing full cylindrical symmetry, with one of them (small nonorthogonal configuration interaction calculations involving rotated versions of the wavefunction) turning out to be somewhat preferable on energetic grounds to the other one (application of additional spin constraints to a single spatial configuration). It is also shown that mixing together the cylindrically symmetric symmetry-separated and bent-bond spin-coupled models leads to relatively small energy improvements unless the valence orbitals in each type of configuration are reoptimised.

  11. Selective Probing of Hidden Spin-Polarized States in Inversion-Symmetric Bulk MoS2

    NASA Astrophysics Data System (ADS)

    Razzoli, E.; Jaouen, T.; Mottas, M.-L.; Hildebrand, B.; Monney, G.; Pisoni, A.; Muff, S.; Fanciulli, M.; Plumb, N. C.; Rogalev, V. A.; Strocov, V. N.; Mesot, J.; Shi, M.; Dil, J. H.; Beck, H.; Aebi, P.

    2017-02-01

    Spin- and angle-resolved photoemission spectroscopy is used to reveal that a large spin polarization is observable in the bulk centrosymmetric transition metal dichalcogenide MoS2 . It is found that the measured spin polarization can be reversed by changing the handedness of incident circularly polarized light. Calculations based on a three-step model of photoemission show that the valley and layer-locked spin-polarized electronic states can be selectively addressed by circularly polarized light, therefore providing a novel route to probe these hidden spin-polarized states in inversion-symmetric systems as predicted by Zhang et al. [Nat. Phys. 10, 387 (2014)., 10.1038/nphys2933].

  12. Extrinsic spin- and orbital-Hall effect in cyclic group symmetric metamaterial (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Lee, Yeon Ui; Ozerov, Igor; Bedu, Frederic; Fages, Frederic; Wu, Jeong Weon

    2016-09-01

    We designed and fabricated cyclic group symmetric metamaterials (CGSMs), anisotropic media showing an extrinsic optical orbital Hall effect. An exchange of angular momentum between spin and orbital angular momenta takes place in an optical beam propagating through anisotropic media such as plasmonic nanoantennas of concentric ring and tapered arc (TA) shape. In case of TA antenna an cross-polarized circular polarization scattered beam exhibits an extrinsic orbital Hall effect. The CGSMs possess n-fold rotation symmetry and they are composed of plasmonic TA antennas. In case of circular polarization, the TA antennas effectively scatter incident light depending on the beam helicity. Both amplitude and phase gradients take place along the azimuthal direction for cross-polarized beams. We used electron beam lithography to fabricate 30nm thick gold metamaterials patterned on borosilicate glass substrates. Six types of CGSMs with the symmetry order n from 1 to 6 were fabricated and measured. Each CSGM is composed of multiple TA antennas with the width varying from 45nm to 150nm organized in 8*n azimuthal segments of concentric rings repeated with 600nm radial spacing. Measurements of orbital Hall transverse shifts of circularly polarized beams of right/left helicity were carried out at a wavelength of 1300nm. Because TA antennas are arranged in a metamaterial with a cyclic group n-fold rotation symmetry, the extrinsic orbital Hall transverse shifts from CGSM exhibit a geometrical pattern with the same symmetry. However, CGSMs with odd and even symmetry orders show a strongly contrasting difference in the character of transverse shifts. The observed geometrical patterns agree well with those obtained from FDTD theoretical simulation.

  13. Asymptotic quasinormal frequencies of different spin fields in spherically symmetric black holes

    SciTech Connect

    Cho, H. T.

    2006-01-15

    We consider the asymptotic quasinormal frequencies of various spin fields in Schwarzschild and Reissner-Nordstroem black holes. In the Schwarzschild case, the real part of the asymptotic frequency is ln3 for the spin 0 and the spin 2 fields, while for the spin 1/2, the spin 1, and the spin 3/2 fields it is zero. For the nonextreme charged black holes, the spin 3/2 Rarita-Schwinger field has the same asymptotic frequency as that of the integral spin fields. However, the asymptotic frequency of the Dirac field is different, and its real part is zero. For the extremal case, which is relevant to the supersymmetric consideration, all the spin fields have the same asymptotic frequency, the real part of which is zero. For the imaginary parts of the asymptotic frequencies, it is interesting to see that it has a universal spacing of 1/4M for all the spin fields in the single-horizon cases of the Schwarzschild and the extreme Reissner-Nordstroem black holes. The implications of these results to the universality of the asymptotic quasinormal frequencies are discussed.

  14. Dynamic stability of a spinning tube conveying a fluid through a symmetrical noncircular cross-section

    SciTech Connect

    Benedetti, G.A.

    1990-11-01

    When a fluid flows inside a tube, the deformations of the tube can interact with the fluid flowing within it and these dynamic interactions can result in significant lateral motions of the tube and the flowing fluid. The purpose of this report is to examine the dynamic stability of a spinning tube through which an incompressible frictionless fluid is flowing. The tube can be considered as either a hollow beam or a hollow cable. The analytical results can be applied to spinning or stationary tubes through which fluids are transferred; e.g., liquid coolants, fuels and lubricants, slurry solutions, and high explosives in paste form. The coupled partial differential equations are determined for the lateral motion of a spinning Bernoulli-Euler beam or a spinning cable carrying an incompressible flowing fluid. The beam, which spins about an axis parallel to its longitudinal axis and which can also be loaded by a constant axial force, is straight, uniform, simply supported, and rests on a massless, uniform elastic foundation that spins with the beam. Damping for the beam and foundation is considered by using a combined uniform viscous damping coefficient. The fluid, in addition to being incompressible, is frictionless, has a constant density, and flows at a constant speed relative to the longitudinal beam axis. The Galerkin method is used to reduce the coupled partial differential equations for the lateral motion of the spinning beam to a coupled set of 2N, second order, ordinary differential equations for the generalized beam coordinates. By simplifying these equations and examining the roots of the characteristic equation, an analytical solution is obtained for the lateral dynamic instability of the beam (or cable). The analytical solutions determined the minimum critical fluid speed and the critical spin speeds, for a specified fluid speed, in terms of the physical parameters of the system.

  15. Sublattice parallel replica dynamics

    NASA Astrophysics Data System (ADS)

    Martínez, Enrique; Uberuaga, Blas P.; Voter, Arthur F.

    2014-06-01

    Exascale computing presents a challenge for the scientific community as new algorithms must be developed to take full advantage of the new computing paradigm. Atomistic simulation methods that offer full fidelity to the underlying potential, i.e., molecular dynamics (MD) and parallel replica dynamics, fail to use the whole machine speedup, leaving a region in time and sample size space that is unattainable with current algorithms. In this paper, we present an extension of the parallel replica dynamics algorithm [A. F. Voter, Phys. Rev. B 57, R13985 (1998), 10.1103/PhysRevB.57.R13985] by combining it with the synchronous sublattice approach of Shim and Amar [Y. Shim and J. G. Amar, Phys. Rev. B 71, 125432 (2005), 10.1103/PhysRevB.71.125432], thereby exploiting event locality to improve the algorithm scalability. This algorithm is based on a domain decomposition in which events happen independently in different regions in the sample. We develop an analytical expression for the speedup given by this sublattice parallel replica dynamics algorithm and compare it with parallel MD and traditional parallel replica dynamics. We demonstrate how this algorithm, which introduces a slight additional approximation of event locality, enables the study of physical systems unreachable with traditional methodologies and promises to better utilize the resources of current high performance and future exascale computers.

  16. Crystal Ball Replica

    NASA Astrophysics Data System (ADS)

    Ajamian, John

    2016-09-01

    The A2 collaboration of the Institute for Nuclear Physics of Johannes Gutenberg University performs research on (multiple) meson photoproduction and nucleon structure and dynamics using a high energy polarized photon beam at specific targets. Particles scattered from the target are detected in the Crystal Ball, or CB. The CB is composed of 672 NaI crystals that surround the target and can analyze particle type and energy of ejected particles. Our project was to create a replica of the CB that could display what was happening in real time on a 3 Dimensional scale replica. Our replica was constructed to help explain the physics to the general public, be used as a tool when calibrating each of the 672 NaI crystals, and to better analyze the electron showering of particles coming from the target. This poster will focus on the hardware steps necessary to construct the replica and wire the 672 programmable LEDS in such a way that they can be mapped to correspond to the Crystal Ball elements. George Washington NSF Grant.

  17. Instantaneous mode contamination and parametric combination instability of spinning cyclically symmetric ring structures with expanding application to planetary gear ring

    NASA Astrophysics Data System (ADS)

    Wang, Shiyu; Sun, Wenjia; Wang, Yaoyao

    2016-08-01

    This work addresses the free and parametric elastic vibrations of the spinning cyclically symmetric ring structures. The focus is on the instantaneous mode contamination, parametric combination instability and their connections. An analytical model is developed by using the Hamilton's principle for the in-plane bending deflection, the distinction of which is in the arbitrary distributions of the attached mass and stiffness. A special case with equally-spaced discrete mass particles and spinning springs is detailed. The uneven tangential force and the time-invariant deflection caused by the mass particles are formulated. The results imply that the order of such deflection is equal to the number of the mass particles. The instantaneous mode contamination and parametric combination instability are captured by the perturbation and superposition mode shapes of the stationary smooth ring by introducing complex coefficients. The contamination rule is similar to that of the stationary structure but the contamination strength is time-variant due to the spinning springs. New analytical results and quantitative explanations on the contamination and instability especially their connections are presented. As an application of the proposed method, the free and parametric vibrations of the planetary gear ring are formulated. Main results are demonstrated by means of the numerical simulations and compared with the existing studies.

  18. Reduced Sensitivity to Charge Noise in Semiconductor Spin Qubits via Symmetric Operation

    NASA Astrophysics Data System (ADS)

    Reed, M. D.; Maune, B. M.; Andrews, R. W.; Borselli, M. G.; Eng, K.; Jura, M. P.; Kiselev, A. A.; Ladd, T. D.; Merkel, S. T.; Milosavljevic, I.; Pritchett, E. J.; Rakher, M. T.; Ross, R. S.; Schmitz, A. E.; Smith, A.; Wright, J. A.; Gyure, M. F.; Hunter, A. T.

    2016-03-01

    We demonstrate improved operation of exchange-coupled semiconductor quantum dots by substantially reducing the sensitivity of exchange operations to charge noise. The method involves biasing a double dot symmetrically between the charge-state anticrossings, where the derivative of the exchange energy with respect to gate voltages is minimized. Exchange remains highly tunable by adjusting the tunnel coupling. We find that this method reduces the dephasing effect of charge noise by more than a factor of 5 in comparison to operation near a charge-state anticrossing, increasing the number of observable exchange oscillations in our qubit by a similar factor. Performance also improves with exchange rate, favoring fast quantum operations.

  19. Divide and conquer the Hilbert space of translation-symmetric spin systems.

    PubMed

    Weisse, Alexander

    2013-04-01

    Iterative methods that operate with the full Hamiltonian matrix in the untrimmed Hilbert space of a finite system continue to be important tools for the study of one- and two-dimensional quantum spin models, in particular in the presence of frustration. To reach sensible system sizes such numerical calculations heavily depend on the use of symmetries. We describe a divide-and-conquer strategy for implementing translation symmetries of finite spin clusters, which efficiently uses and extends the "sublattice coding" of H. Q. Lin [Phys. Rev. B 42, 6561 (1990)]. With our method, the Hamiltonian matrix can be generated on-the-fly in each matrix vector multiplication, and problem dimensions beyond 10^{11} become accessible.

  20. Anti-symmetric spin-orbit force in the effective interaction for the shell model and its effect on nuclear structure

    SciTech Connect

    Tsunoda, N.; Shimizu, N.; Otsuka, T.; Suzuki, T.

    2011-05-06

    Anti-symmetric spin-orbit force (ALS) in the effective interaction for the shell model and its effect on nuclear structure is discussed. We investigate possible origins of the ALS and the effects on the level schemes of several nuclei.

  1. Replica methods for loopy sparse random graphs

    NASA Astrophysics Data System (ADS)

    Coolen, ACC

    2016-03-01

    I report on the development of a novel statistical mechanical formalism for the analysis of random graphs with many short loops, and processes on such graphs. The graphs are defined via maximum entropy ensembles, in which both the degrees (via hard constraints) and the adjacency matrix spectrum (via a soft constraint) are prescribed. The sum over graphs can be done analytically, using a replica formalism with complex replica dimensions. All known results for tree-like graphs are recovered in a suitable limit. For loopy graphs, the emerging theory has an appealing and intuitive structure, suggests how message passing algorithms should be adapted, and what is the structure of theories describing spin systems on loopy architectures. However, the formalism is still largely untested, and may require further adjustment and refinement. This paper is dedicated to the memory of our colleague and friend Jun-Ichi Inoue, with whom the author has had the great pleasure and privilege of collaborating.

  2. Partition-function zeros of spherical spin glasses and their relevance to chaos

    NASA Astrophysics Data System (ADS)

    Obuchi, Tomoyuki; Takahashi, Kazutaka

    2012-03-01

    We investigate the partition-function zeros of the many-body interacting spherical spin glass, the so-called p-spin spherical model, with respect to the complex temperature in the thermodynamic limit. We use the replica method and extend the procedure of the replica symmetry breaking ansatz to be applicable in the complex-parameter case. We derive the phase diagrams in the complex-temperature plane and calculate the density of zeros in each phase. Near the imaginary axis away from the origin, there is a replica symmetric phase having a large density. On the other hand, we observe no density in the spin-glass phases, irrespective of the replica symmetry breaking. We speculate that this suggests the absence of the temperature chaos. To confirm this, we investigate the multiple many-body interacting case which is known to exhibit the chaos effect. The result shows that the density of zeros actually takes finite values in the spin-glass phase, even on the real axis. These observations indicate that the density of zeros is more closely connected to the chaos effect than the replica symmetry breaking.

  3. Complex symmetric root square locus with an application to a spinning drag-free satellite

    NASA Technical Reports Server (NTRS)

    Tashker, M. G.; Debra, D. B.

    1976-01-01

    The parameters and relations associated with optimal systems are examined, taking into account a quadratic performance index and a root square locus plot, including the characteristic roots of the optimal system and its adjoint system as a function of the cost function weights. The calculation of the locus is described and the employment of the considered relations in studies of a drag-free satellite is discussed. Attention is given to weights regarding the initial states, questions of rotating integral control, approaches for experimental verification, and the performance of various methods for the reduction of fuel consumption due to center of spin offsets.

  4. Critical bifurcation point of the openZ(5)-symmetric spin model

    NASA Astrophysics Data System (ADS)

    Bonnier, B.

    1991-07-01

    The critical behavior of the general isotropic, ferromagnetic two-dimensional spin system with openZ(5) symmetry is studied with use of high-temperature expansions of its mass gap. On the basis of these expansions we propose a simple analytic representation of the mass gap which naturally reproduces all the different phase transitions exhibited by this model (first order and second order of the Ising and of the Kosterlitz-Thouless types). In addition, the bifurcation point where the soft phases originate is clearly identified with the Fateev-Zamolodchikov value.

  5. Time evolution of the autocorrelation function in dynamical replica theory

    NASA Astrophysics Data System (ADS)

    Sakata, A.

    2013-04-01

    Asynchronous dynamics given by the master equation in the Sherrington-Kirkpatrick (SK) spin-glass model is studied based on dynamical replica theory (DRT) with an extension to take into account the autocorrelation function. The dynamical behaviour of the system is approximately described by dynamical equations of the macroscopic quantities: magnetization, energy contributed by randomness and the autocorrelation function. The dynamical equations under the replica symmetry assumption are derived by introducing the subshell equipartitioning assumption and exploiting the replica method. The obtained dynamical equations are compared with Monte Carlo simulations, and it is demonstrated that the proposed formula describes well the time evolution of the autocorrelation function in some parameter regions. The study offers a reasonable description of the autocorrelation function in the SK spin-glass system.

  6. Thermal entanglement of a spin-1/2 Ising-Heisenberg model on a symmetrical diamond chain.

    PubMed

    Ananikian, N S; Ananikyan, L N; Chakhmakhchyan, L A; Rojas, Onofre

    2012-06-27

    The entanglement quantum properties of a spin-1/2 Ising-Heisenberg model on a symmetrical diamond chain were analyzed. Due to the separable nature of the Ising-type exchange interactions between neighboring Heisenberg dimers, calculation of the entanglement can be performed exactly for each individual dimer. Pairwise thermal entanglement was studied in terms of the isotropic Ising-Heisenberg model and analytical expressions for the concurrence (as a measure of bipartite entanglement) were obtained. The effects of external magnetic field H and next-nearest neighbor interaction J(m) between nodal Ising sites were considered. The ground state structure and entanglement properties of the system were studied in a wide range of coupling constant values. Various regimes with different values of ground state entanglement were revealed, depending on the relation between competing interaction strengths. Finally, some novel effects, such as the two-peak behavior of concurrence versus temperature and coexistence of phases with different values of magnetic entanglement, were observed.

  7. About a solvable mean field model of a Gaussian spin glass

    NASA Astrophysics Data System (ADS)

    Barra, Adriano; Genovese, Giuseppe; Guerra, Francesco; Tantari, Daniele

    2014-04-01

    In a series of papers, we have studied a modified Hopfield model of a neural network, with learned words characterized by a Gaussian distribution. The model can be represented as a bipartite spin glass, with one party described by dichotomic Ising spins, and the other party by continuous spin variables, with an a priori Gaussian distribution. By application of standard interpolation methods, we have found it useful to compare the neural network model (bipartite) from one side, with two spin glass models, each monopartite, from the other side. Of these, the first is the usual Sherrington-Kirkpatrick model, the second is a spin glass model, with continuous spins and inbuilt highly nonlinear smooth cut-off interactions. This model is an invaluable laboratory for testing all techniques which have been useful in the study of spin glasses. The purpose of this paper is to give a synthetic description of the most peculiar aspects, by stressing the necessary novelties in the treatment. In particular, it will be shown that the control of the infinite volume limit, according to the well-known Guerra-Toninelli strategy, requires in addition one to consider the involvement of the cut-off interaction in the interpolation procedure. Moreover, the control of the ergodic region, the annealed case, cannot be directly achieved through the standard application of the Borel-Cantelli lemma, but requires previous modification of the interaction. This remark could find useful application in other cases. The replica symmetric expression for the free energy can be easily reached through a suitable version of the doubly stochastic interpolation technique. However, this model shares the unique property that the fully broken replica symmetry ansatz can be explicitly calculated. A very simple sum rule connects the general expression of the fully broken free energy trial function with the replica symmetric one. The definite sign of the error term shows that the replica solution is optimal. Then

  8. Replica trick for rare samples

    NASA Astrophysics Data System (ADS)

    Rizzo, Tommaso

    2014-05-01

    In the context of disordered systems with quenched Hamiltonians I address the problem of characterizing rare samples where the thermal average of a specific observable has a value different from the typical one. These rare samples can be selected through a variation of the replica trick which amounts to replicating the system and dividing the replicas intwo two groups containing, respectively, M and -M replicas. Replicas in the first (second) group experience a positive (negative) small field O (1/M) conjugate to the observable considered and the M →∞ limit is to be taken in the end. Applications to the random-field Ising model and to the Sherrington-Kirkpatrick model are discussed.

  9. The phenomenon of spontaneous replica symmetry breaking in complex statistical mechanics systems

    NASA Astrophysics Data System (ADS)

    Guerra, Francesco

    2013-06-01

    We analyze the main aspects of the phenomenon of spontaneous replica symmetry breaking, introduced by Giorgio Parisi. We work in the frame of real replicas, by taking into account the simple case of the random energy model. In particular, we study the phase space diagram for systems of coupled replicas, and the connected phase transitions. Our considerations can be generalized to the more complicated models of mean field spin glasses and neural networks. We report also about a letter of Ettore Majorana, written in December 1937 to his uncle Dante, very interesting for its methodological content.

  10. New Implementations of Replica-exchange Method for Simulations of Complex Systems: Designed-walk and Deterministic Replica-exchange Methods

    NASA Astrophysics Data System (ADS)

    Urano, Ryo; Okamoto, Yuko

    Two new methods of replica-exchange method (REM) are tested for a two-dimensional Ising spin model. The first method is the deterministic replica-exchange method (DETREM) which uses a differential equation based on Gibbs sampling method instead of Metropolis criteria. The other is the designed-walk replica-exchange method (DEWREM) which determines the trajectory of replica in temperature space without random walk. This method gives more number of tunneling events than conventional REM, where the tunneling event is a round-trip of temperature from the lowest to the highest back to the lowest. We examined physical quantities such as magnetization and susceptibility. Our new methods reproduced the results of the conventional random-walk REM.

  11. Replica-Based Crack Inspection

    NASA Technical Reports Server (NTRS)

    Newman, John A.; Willard, Scott A.; Smith, Stephen W.; Piascik, Robert S.

    2008-01-01

    Surface replication has been proposed as a method for crack detection in space shuttle main engine flowliner slots. The results of a feasibility study show that examination of surface replicas with a scanning electron microscope can result in the detection of cracks as small as 0.005 inch, and surface flaws as small as 0.001 inch, for the flowliner material.

  12. Frustration in Vicinity of Transition Point of Ising Spin Glasses

    NASA Astrophysics Data System (ADS)

    Miyazaki, Ryoji

    2013-09-01

    We conjecture the existence of a relationship between frustration and the transition point at zero temperature of Ising spin glasses. The relation reveals that, in several Ising spin glass models, the concentration of ferromagnetic bonds is close to the critical concentration at zero temperature when the output of a function about frustration is equal to unity. The function is the derivative of the average number of frustrated plaquettes with respect to the average number of antiferromagnetic bonds. This relation is conjectured in Ising spin glasses with binary couplings on two-dimensional lattices, hierarchical lattices, and three-body Ising spin glasses with binary couplings on two-dimensional lattices. In addition, the same argument in the Sherrington--Kirkpatrick model yields a point that is identical to the replica-symmetric solution of the transition point at zero temperature.

  13. A generalized parallel replica dynamics

    NASA Astrophysics Data System (ADS)

    Binder, Andrew; Lelièvre, Tony; Simpson, Gideon

    2015-03-01

    Metastability is a common obstacle to performing long molecular dynamics simulations. Many numerical methods have been proposed to overcome it. One method is parallel replica dynamics, which relies on the rapid convergence of the underlying stochastic process to a quasi-stationary distribution. Two requirements for applying parallel replica dynamics are knowledge of the time scale on which the process converges to the quasi-stationary distribution and a mechanism for generating samples from this distribution. By combining a Fleming-Viot particle system with convergence diagnostics to simultaneously identify when the process converges while also generating samples, we can address both points. This variation on the algorithm is illustrated with various numerical examples, including those with entropic barriers and the 2D Lennard-Jones cluster of seven atoms.

  14. A generalized parallel replica dynamics

    SciTech Connect

    Binder, Andrew; Lelièvre, Tony; Simpson, Gideon

    2015-03-01

    Metastability is a common obstacle to performing long molecular dynamics simulations. Many numerical methods have been proposed to overcome it. One method is parallel replica dynamics, which relies on the rapid convergence of the underlying stochastic process to a quasi-stationary distribution. Two requirements for applying parallel replica dynamics are knowledge of the time scale on which the process converges to the quasi-stationary distribution and a mechanism for generating samples from this distribution. By combining a Fleming–Viot particle system with convergence diagnostics to simultaneously identify when the process converges while also generating samples, we can address both points. This variation on the algorithm is illustrated with various numerical examples, including those with entropic barriers and the 2D Lennard-Jones cluster of seven atoms.

  15. Spurious long-range entanglement and replica correlation length

    NASA Astrophysics Data System (ADS)

    Zou, Liujun; Haah, Jeongwan

    2016-08-01

    Topological entanglement entropy has been regarded as a smoking-gun signature of topological order in two dimensions, capturing the total quantum dimension of the topological particle content. An extrapolation method on cylinders has been used frequently to measure the topological entanglement entropy. Here, we show that a class of short-range entangled 2D states, when put on an infinite cylinder of circumference L , exhibits the entanglement Rényi entropy of any integer index α ≥2 that obeys Sα=a L -γ , where a ,γ >0 . Under the extrapolation method, the subleading term γ would be identified as the topological entanglement entropy, which is spurious. A nonzero γ is always present if the 2D state reduces to a certain symmetry-protected topological 1D state, upon disentangling spins that are far from the entanglement cut. The internal symmetry that stabilizes γ >0 is not necessarily a symmetry of the 2D state, but should be present after the disentangling reduction. If the symmetry is absent, γ decays exponentially in L with a characteristic length, termed as a replica correlation length, which can be arbitrarily large compared to the two-point correlation length of the 2D state. We propose a simple numerical procedure to measure the replica correlation length through replica correlation functions. We also calculate the replica correlation functions for representative wave functions of Abelian discrete gauge theories and the double semion theory in 2D, to show that they decay abruptly to zero. This supports a conjecture that the replica correlation length being small implies that the subleading term from the extrapolation method determines the total quantum dimension.

  16. Ising spin glass under continuous-distribution random magnetic fields: Tricritical points and instability lines.

    PubMed

    Crokidakis, Nuno; Nobre, Fernando D

    2008-04-01

    The effects of random magnetic fields are considered in an Ising spin-glass model defined in the limit of infinite-range interactions. The probability distribution for the random magnetic fields is a double Gaussian, which consists of two Gaussian distributions centered, respectively, at +H0 and -H0, presenting the same width sigma . It is argued that such a distribution is more appropriate for a theoretical description of real systems than its simpler particular two well-known limits, namely, the single Gaussian distribution (sigma>H0) and the bimodal one (sigma=0) . The model is investigated by means of the replica method, and phase diagrams are obtained within the replica-symmetric solution. Critical frontiers exhibiting tricritical points occur for different values of sigma , with the possibility of two tricritical points along the same critical frontier. To our knowledge, it is the first time that such a behavior is verified for a spin-glass model in the presence of a continuous-distribution random field, which represents a typical situation of a real system. The stability of the replica-symmetric solution is analyzed, and the usual Almeida-Thouless instability is verified for low temperatures. It is verified that the higher-temperature tricritical point always appears in the region of stability of the replica-symmetric solution; a condition involving the parameters H0 and sigma , for the occurrence of this tricritical point only, is obtained analytically. Some of our results are discussed in view of experimental measurements available in the literature.

  17. Hard templating of symmetric and asymmetric carbon thin films with three-dimensionally ordered mesoporosity.

    PubMed

    Tian, Zheng; Snyder, Mark A

    2014-08-19

    Sacrificial colloidal crystal templating of porous carbon films of tunable thickness is demonstrated using a facile thin-film assembly and hard-template-based nanoreplication process. Convectively assembled, colloidal crystal films composed of size-tunable silica nanoparticles (ca. 10-50 nm) serve as scalable sacrificial scaffolds for the formation of thickness-tunable, structurally robust, and flexible porous carbon films. Both precursor vapor infiltration (PVI) and precursor immersion/spin-off (PIS) techniques, suitable for replication by various carbon sources (e.g., furfural/oxalic acid, phenol-formaldehyde, resorcinol-formaldehyde, sucrose), result in continuous, crack-free porous replica films. Systematic PVI-based underfilling of the template film or PIS-based complete spin-off of excess carbon replica precursor results in porous carbon films endowed with a symmetric three-dimensionally ordered mesopore (3DOm) topology uniformly distributed across the film thickness. Alternatively, by tuning the nanoparticle crystal film thickness and the degree of overfilling (PVI) or rate of spin-off of the carbon replica precursor (PIS), films bearing an asymmetric structure composed of 3DOm-supported ultrathin carbon layers can be realized. The stability of the silica templates under polymerization and carbonization conditions helps bolster mesopore robustness within the replica films, eliminating uniaxial pore shrinkage upon template sacrifice. The decoupling of the template assembly and its replication enables film formation from a wide range of carbon sources and possibly a further expanded materials palette. Realization of porous carbon films on various substrates without degradation of the mesostructure is enabled by robustness of the coating/replication process to characteristic surface roughness at scales several-fold larger than the template particle size as well as to polymer-mediated film transfer. Among various possible applications, we demonstrate how

  18. Detection of alpha-helical coiled-coil dimer formation by spin-labeled synthetic peptides: a model parallel coiled-coil peptide and the antiparallel coiled coil formed by a replica of the ProP C-terminus.

    PubMed

    Hillar, Alexander; Tripet, Brian; Zoetewey, David; Wood, Janet M; Hodges, Robert S; Boggs, Joan M

    2003-12-30

    Electron paramagnetic resonance spectroscopy was used to determine relative peptide orientation within homodimeric, alpha-helical coiled-coil structures. Introduction of cysteine (Cys) residues into peptides/proteins for spin labeling allows detection of their oligomerization from exchange broadening or dipolar interactions between residues within 25 A of each other. Two synthetic peptides containing Cys substitutions were used: a 35-residue model peptide and the 30-residue ProP peptide. The model peptide is known to form a stable, parallel homodimeric coiled coil, which is partially destabilized by Cys substitutions at heptad a and d positions (peptides C30a and C33d). The ProP peptide, a 30-residue synthetic peptide, corresponds to residues 468-497 of osmoregulatory transporter ProP from Escherichia coli. It forms a relatively unstable, homodimeric coiled coil that is predicted to be antiparallel in orientation. Cys was introduced in heptad g positions of the ProP peptide, near the N-terminus (K473C, creating peptide C473g) or closer to the center of the sequence (E480C, creating peptide C480g). In contrast to the destabilizing effect of Cys substitution at the core heptad a or d positions of model peptides C30a and C33d, circular dichroism spectroscopy showed that Cys substitutions at the heptad g positions of the ProP peptide had little or no effect on coiled-coil stability. Thermal denaturation analysis showed that spin labeling increased the stability of the coiled coil for all peptides. Strong exchange broadening was detected for both C30a and C33d, in agreement with a parallel structure. EPR spectra of C480g had a large hyperfine splitting of about 90 G, indicative of strong dipole-dipole interactions and a distance between spin-labeled residues of less than 9 A. Spin-spin interactions were much weaker for C473g. These results supported the hypothesis that the ProP peptide primarily formed an antiparallel coiled coil, since formation of a parallel dimer

  19. The 2003 Goddard Rocket Replica Project

    NASA Technical Reports Server (NTRS)

    Farr, Rebecca A.

    2003-01-01

    A group of volunteers from Marshall Space Flight Center using information and records available,construct a working, flying replica of Robert Goddard's 1926 liquid rocket as well as accurate static display version. Document the effort for posterity.

  20. Flexible tubular replicas of abdominal aortic aneurysms.

    PubMed

    Berry, E; Marsden, A; Dalgarno, K W; Kessel, D; Scott, D J A

    2002-01-01

    The aim of this study was to manufacture life-size, flexible, tubular replicas of human abdominal aortic aneurysms and the associated vasculature, suitable for use in a training simulator for endovascular procedures. Selective laser sintering was used to create a geometrically correct master model for each of ten anatomical variations. The masters were used to generate flexible latex replicas. The use of the replicas in the training simulator was demonstrated. In total ten silicone rubber models were produced. When connected into the training simulator and perfused at arterial pressure it was possible to deploy an endovascular stent under fluoroscopic control and to perform angiography. The study has shown that conventional rapid prototyping technology can be used to manufacture flexible, radiolucent replicas which provide a realistic training environment for endovascular procedures.

  1. Replica amplification of nucleic acid arrays

    DOEpatents

    Church, George M.; Mitra, Robi D.

    2010-08-31

    Disclosed are improved methods of making and using immobilized arrays of nucleic acids, particularly methods for producing replicas of such arrays. Included are methods for producing high density arrays of nucleic acids and replicas of such arrays, as well as methods for preserving the resolution of arrays through rounds of replication. Also included are methods which take advantage of the availability of replicas of arrays for increased sensitivity in detection of sequences on arrays. Improved methods of sequencing nucleic acids immobilized on arrays utilizing single copies of arrays and methods taking further advantage of the availability of replicas of arrays are disclosed. The improvements lead to higher fidelity and longer read lengths of sequences immobilized on arrays. Methods are also disclosed which improve the efficiency of multiplex PCR using arrays of immobilized nucleic acids.

  2. Effects of random fields in an antiferromagnetic Ising spin glass

    PubMed

    Vieira; Nobre; Yokoi

    2000-05-01

    The effects of random fields on the two-sublattice infinite-ranged Ising spin-glass model are investigated. This model is expected to be appropriate as a mean-field description of antiferromagnetic spin glasses such as FexMn1-xTiO3. Within replica-symmetric calculations, we study the influence of Gaussian and bimodal random fields on the phase transitions and phase diagrams. It is shown that, in the presence of random fields, the first-order transitions are weakened and may become continuous. Also, the antiferromagnetic phases are always destroyed by sufficiently strong random fields. A qualitative comparison with existing experimental results and the limitations of the present calculations are discussed.

  3. Symmetrical Diphosphatetraazacyclooctatetraenes.

    DTIC Science & Technology

    1980-06-26

    aryl, alkyl, perfluoroalkyl and perfluoroalkylether radcalsl Rf is selected from perfluoroalkyl and perfluoroalkylether radicals 20 as represented by...process for synthesizing symmetrical diphosphatetraazacyclooctatetraenes by reacting perfluoroalkyl or perfluoroalkylether amidine with a...symmetrical diphosphatetraazacyclooctatetraene. The substituent Rf can he selected from perfluoroalkyl and pertluoroalkylether groups as represented hy the

  4. Control of Spinning Symmetric Airframes

    DTIC Science & Technology

    2006-11-14

    IdH dt UNCLASSIFIED UNCLASSIFIED again using the transport theorem IdH dt = BdH dt + ωB/I ×H V. Body Axis System Equations of Motion The equations... IdH dt X MExt = IdH dt = ³ IxxṖ + IQR− IQR ´ ı̂B + ³ IQ̇+ IxxPR− IPR ´ ĵB + ³ IṘ+ IPQ− IxxPQ ´ k̂B or in component form IxxṖ =Mx IQ̇+ IxxPR− IPR...moment equations are X MExt = IdH dt = φdH dt + ωφ/I ×H = φdĪC · ωB/I dt + ωφ/I × ³ ĪC · ωB/I ´ we must now pause and look at the time rate

  5. Generalized gravitational entropy without replica symmetry

    NASA Astrophysics Data System (ADS)

    Camps, Joan; Kelly, William R.

    2015-03-01

    We explore several extensions of the generalized entropy construction of Lewkowycz and Maldacena, including a formulation that does not rely on preserving replica symmetry in the bulk. We show that an appropriately general ansatz for the analytically continued replica metric gives us the flexibility needed to solve the gravitational field equations beyond general relativity. As an application of this observation we study EinsteinGauss-Bonnet gravity with a small Gauss-Bonnet coupling and derive the condition that the holographic entanglement entropy must be evaluated on a surface which extremizes the Jacobson-Myers entropy. We find that in both general relativity and Einstein-Gauss-Bonnet gravity replica symmetry breaking terms are permitted by the field equations, suggesting that they do not generically vanish.

  6. Symmetric textures

    SciTech Connect

    Ramond, P. . Dept. of Physics)

    1993-01-01

    The Wolfenstein parametrization is extended to the quark masses in the deep ultraviolet, and an algorithm to derive symmetric textures which are compatible with existing data is developed. It is found that there are only five such textures.

  7. Symmetric textures

    SciTech Connect

    Ramond, P.

    1993-04-01

    The Wolfenstein parametrization is extended to the quark masses in the deep ultraviolet, and an algorithm to derive symmetric textures which are compatible with existing data is developed. It is found that there are only five such textures.

  8. Effect of modularity on the Glauber dynamics of the dilute spin glass model

    NASA Astrophysics Data System (ADS)

    Park, Jeong-Man

    2014-11-01

    We study the Glauber dynamics of the dilute, infinite-ranged spin glass model, the so-called dilute Sherrington-Kirkpatrick (dSK) model. The dSK model has sparse couplings and can be classified by the modularity ( M) of the coupling matrix. We investigate the effect of the modularity on the relaxation dynamics starting from a random initial state. By using the Glauber dynamics and the replica method, we derive the relaxation dynamics equations for the magnetization ( m) and the energy per spin ( r), in addition to the equation for the spin glass order parameter ( q αβ ). In the replica symmetric (RS) analysis, we find that there are two solutions for the RS spin glass order parameter ( q): q = 0which is stable for r < 1/2 and q = (-1+4 r 2)/(32 r 4) which is stable for r > 1/2 in the non-modular system and q = 0 which is stable for r < 1/ and q = (-1+8 r 2)/(128 r 4) which is stable for r > 1/ in the completely modular system. By substituting the proper q values into the equations for r, we find that the relaxation dynamics of r depends on the modularity, M. These results suggest that, in the context of evolutionary theory, the modularity may emerge spontaneously in the point-mutation-only framework (Glauber dynamics) under a changing environment.

  9. Scalable replica-exchange framework for Wang-Landau sampling.

    PubMed

    Vogel, Thomas; Li, Ying Wai; Wüst, Thomas; Landau, David P

    2014-08-01

    We investigate a generic, parallel replica-exchange framework for Monte Carlo simulations based on the Wang-Landau method. To demonstrate its advantages and general applicability for massively parallel simulations of complex systems, we apply it to lattice spin models, the self-assembly process in amphiphilic solutions, and the adsorption of molecules on surfaces. While of general current interest, the latter phenomena are challenging to study computationally because of multiple structural transitions occurring over a broad temperature range. We show how the parallel framework facilitates simulations of such processes and, without any loss of accuracy or precision, gives a significant speedup and allows for the study of much larger systems and much wider temperature ranges than possible with single-walker methods.

  10. Scalable replica-exchange framework for Wang-Landau sampling

    NASA Astrophysics Data System (ADS)

    Vogel, Thomas; Li, Ying Wai; Wüst, Thomas; Landau, David P.

    2014-08-01

    We investigate a generic, parallel replica-exchange framework for Monte Carlo simulations based on the Wang-Landau method. To demonstrate its advantages and general applicability for massively parallel simulations of complex systems, we apply it to lattice spin models, the self-assembly process in amphiphilic solutions, and the adsorption of molecules on surfaces. While of general current interest, the latter phenomena are challenging to study computationally because of multiple structural transitions occurring over a broad temperature range. We show how the parallel framework facilitates simulations of such processes and, without any loss of accuracy or precision, gives a significant speedup and allows for the study of much larger systems and much wider temperature ranges than possible with single-walker methods.

  11. Two-Stage Lucite Replicas for Electron Fractography,

    DTIC Science & Technology

    Electron microscopical comparisons between replicas produced by the lucite technique and by the commonly-used cellulose acetate procedure indicate that those produced using lucite give better overall replica fidelity. (Author)

  12. How could the replica method improve accuracy of performance assessment of channel coding?

    NASA Astrophysics Data System (ADS)

    Kabashima, Yoshiyuki

    2009-12-01

    We explore the relation between the techniques of statistical mechanics and information theory for assessing the performance of channel coding. We base our study on a framework developed by Gallager in IEEE Trans. Inform. Theory IT-11, 3 (1965), where the minimum decoding error probability is upper-bounded by an average of a generalized Chernoff's bound over a code ensemble. We show that the resulting bound in the framework can be directly assessed by the replica method, which has been developed in statistical mechanics of disordered systems, whereas in Gallager's original methodology further replacement by another bound utilizing Jensen's inequality is necessary. Our approach associates a seemingly ad hoc restriction with respect to an adjustable parameter for optimizing the bound with a phase transition between two replica symmetric solutions, and can improve the accuracy of performance assessments of general code ensembles including low density parity check codes, although its mathematical justification is still open.

  13. Evaluation of generalized degrees of freedom for sparse estimation by replica method

    NASA Astrophysics Data System (ADS)

    Sakata, A.

    2016-12-01

    We develop a method to evaluate the generalized degrees of freedom (GDF) for linear regression with sparse regularization. The GDF is a key factor in model selection, and thus its evaluation is useful in many modelling applications. An analytical expression for the GDF is derived using the replica method in the large-system-size limit with random Gaussian predictors. The resulting formula has a universal form that is independent of the type of regularization, providing us with a simple interpretation. Within the framework of replica symmetric (RS) analysis, GDF has a physical meaning as the effective fraction of non-zero components. The validity of our method in the RS phase is supported by the consistency of our results with previous mathematical results. The analytical results in the RS phase are calculated numerically using the belief propagation algorithm.

  14. Replica-Permutation Method with the Suwa-Todo Algorithm beyond the Replica-Exchange Method.

    PubMed

    Itoh, Satoru G; Okumura, Hisashi

    2013-01-08

    We propose a new method for molecular dynamics and Monte Carlo simulations, which is referred to as the replica-permutation method (RPM), to realize more efficient sampling than the replica-exchange method (REM). In RPM, not only exchanges between two replicas but also permutations among more than two replicas are performed. Furthermore, instead of the Metropolis algorithm, the Suwa-Todo algorithm is employed for replica-permutation trials to minimize its rejection ratio. We applied RPM to particles in a double-well potential energy, Met-enkephalin in a vacuum, and a C-peptide analog of ribonuclease A in explicit water. For comparison purposes, replica-exchange molecular dynamics simulations were also performed. As a result, RPM sampled not only the temperature space but also the conformational space more efficiently than REM for all systems. From our simulations of C-peptide, we obtained the α-helix structure with salt bridges between Gly2 and Arg10, which is known in experiments. Calculating its free-energy landscape, the folding pathway was revealed from an extended structure to the α-helix structure with the salt bridges. We found that the folding pathway consists of the two steps: The first step is the "salt-bridge formation step," and the second step is the "α-helix formation step."

  15. A spin glass approach to the directed feedback vertex set problem

    NASA Astrophysics Data System (ADS)

    Zhou, Hai-Jun

    2016-07-01

    A directed graph (digraph) is formed by vertices and arcs (directed edges) from one vertex to another. A feedback vertex set (FVS) is a set of vertices that contains at least one vertex of every directed cycle in this digraph. The directed feedback vertex set problem aims at constructing a FVS of minimum cardinality. This is a fundamental cycle-constrained hard combinatorial optimization problem with wide practical applications. In this paper we construct a spin glass model for the directed FVS problem by converting the global cycle constraints into local arc constraints, and study this model through the replica-symmetric (RS) mean field theory of statistical physics. We then implement a belief propagation-guided decimation (BPD) algorithm for single digraph instances. The BPD algorithm slightly outperforms the simulated annealing algorithm on large random graph instances. The RS mean field results and algorithmic results can be further improved by working on a more restrictive (and more difficult) spin glass model.

  16. DIRAC File Replica and Metadata Catalog

    NASA Astrophysics Data System (ADS)

    Tsaregorodtsev, A.; Poss, S.

    2012-12-01

    File replica and metadata catalogs are essential parts of any distributed data management system, which are largely determining its functionality and performance. A new File Catalog (DFC) was developed in the framework of the DIRAC Project that combines both replica and metadata catalog functionality. The DFC design is based on the practical experience with the data management system of the LHCb Collaboration. It is optimized for the most common patterns of the catalog usage in order to achieve maximum performance from the user perspective. The DFC supports bulk operations for replica queries and allows quick analysis of the storage usage globally and for each Storage Element separately. It supports flexible ACL rules with plug-ins for various policies that can be adopted by a particular community. The DFC catalog allows to store various types of metadata associated with files and directories and to perform efficient queries for the data based on complex metadata combinations. Definition of file ancestor-descendent relation chains is also possible. The DFC catalog is implemented in the general DIRAC distributed computing framework following the standard grid security architecture. In this paper we describe the design of the DFC and its implementation details. The performance measurements are compared with other grid file catalog implementations. The experience of the DFC Catalog usage in the CLIC detector project are discussed.

  17. RRS: Replica Registration Service for Data Grids

    SciTech Connect

    Shoshani, Arie; Sim, Alex; Stockinger, Kurt

    2005-07-15

    Over the last few years various scientific experiments and Grid projects have developed different catalogs for keeping track of their data files. Some projects use specialized file catalogs, others use distributed replica catalogs to reference files at different locations. Due to this diversity of catalogs, it is very hard to manage files across Grid projects, or to replace one catalog with another. In this paper we introduce a new Grid service called the Replica Registration Service (RRS). It can be thought of as an abstraction of the concepts for registering files and their replicas. In addition to traditional single file registration operations, the RRS supports collective file registration requests and keeps persistent registration queues. This approach is of particular importance for large-scale usage where thousands of files are copied and registered. Moreover, the RRS supports a set of error directives that are triggered in case of registration failures. Our goal is to provide a single uniform interface for various file catalogs to support the registration of files across multiple Grid projects, and to make Grid clients oblivious to the specific catalog used.

  18. Exchange frequency in replica exchange molecular dynamics

    NASA Astrophysics Data System (ADS)

    Sindhikara, Daniel; Meng, Yilin; Roitberg, Adrian E.

    2008-01-01

    The effect of the exchange-attempt frequency on sampling efficiency is studied in replica exchange molecular dynamics (REMD). We show that sampling efficiency increases with increasing exchange-attempt frequency. This conclusion is contrary to a commonly expressed view in REMD. Five peptides (1-21 residues long) are studied with a spectrum of exchange-attempt rates. Convergence rates are gauged by comparing ensemble properties between fixed length test REMD simulations and longer reference simulations. To show the fundamental correlation between exchange frequency and convergence time, a simple model is designed and studied, displaying the same basic behavior of much more complex systems.

  19. Mean field spin glasses treated with PDE techniques

    NASA Astrophysics Data System (ADS)

    Barra, Adriano; Del Ferraro, Gino; Tantari, Daniele

    2013-07-01

    Following an original idea of Guerra, in these notes we analyze the Sherrington-Kirkpatrick model from different perspectives, all sharing the underlying approach which consists in linking the resolution of the statistical mechanics of the model (e.g. solving for the free energy) to well-known partial differential equation (PDE) problems (in suitable spaces). The plan is then to solve the related PDE using techniques involved in their native field and lastly bringing back the solution in the proper statistical mechanics framework. Within this strand, after a streamlined test-case on the Curie-Weiss model to highlight the methods more than the physics behind, we solve the SK both at the replica symmetric and at the 1-RSB level, obtaining the correct expression for the free energy via an analogy to a Fourier equation and for the self-consistencies with an analogy to a Burger equation, whose shock wave develops exactly at critical noise level (triggering the phase transition). Our approach, beyond acting as a new alternative method (with respect to the standard routes) for tackling the complexity of spin glasses, links symmetries in PDE theory with constraints in statistical mechanics and, as a novel result from the theoretical physics perspective, we obtain a new class of polynomial identities (namely of Aizenman-Contucci type, but merged within the Guerra's broken replica measures), whose interest lies in understanding, via the recent Panchenko breakthroughs, how to force the overlap organization to the ultrametric tree predicted by Parisi.

  20. Replica scaling specifications for materials and production

    NASA Astrophysics Data System (ADS)

    Aune, R. B.; Lindgard, J.; Nygard, K.; Olden, V.

    1995-03-01

    Laboratory experiments of repeatable full scale precision tests on reinforced concrete elements exposed to blast loads require considerable resources, and are in many cases impossible with the test equipment available nationally and internationally. In this respect testing of scaled structural elements is advantageous. Model laws must be applied, and the effect of relaxations of a strict model law application must be well understood. The objective of this report is to give specifications for production of reinforced concrete slabs in replica scaling. Three slabs with different dimensions are included: 300 x 300 x 30 mm (P1), 1000 x 1000 x 100 mm (P2) and 3000 x 3000 x 300 mm (P3). Concrete mixes are developed for all three slabs. Concrete quality comply with C35, and similitude in the compressive strength between the mixes is required. Use of replica scaled accumulated aggregate grading curves was a part of the scope of work. Specifications for production of deformed bars with diameters 1.6 mm and 5.3 mm for P1 and P2, respectively, are developed. The material properties of the deformed bars comply with the Norwegian quality K500TE for reinforcement. Acceptable similitude between the stress-strain curves for the two dimensions is obtained.

  1. Robustness of replica symmetry breaking phenomenology in random laser.

    PubMed

    Tommasi, Federico; Ignesti, Emilio; Lepri, Stefano; Cavalieri, Stefano

    2016-11-16

    Random lasers are optical sources where light is amplified by stimulated emission along random paths through an amplifying scattering medium. Connections between their physics and the one of quenched disordered nonlinear systems, notably spin glasses, have been recently suggested. Here we report a first experimental study of correlations of spectral fluctuations intensity in a random laser medium where the scatterers displacement significantly changes among consecutive shots. Remarkably, our results reveal that the replica symmetry breaking (RSB) phenomenology is robust with respect to an averaging over different realizations of the disorder. Moreover, besides opening new intriguing questions about the understanding of such a phenomenon, this work aims to clarify the connection between the RSB with the onset of the Lévy regime, i.e. the fluctuations regime that is a peculiar feature of the random lasing under critical conditions. Our results suggest that the former occurs independently of the latter and then the RSB phenomenology is a generic feature linked to the random laser threshold.

  2. Robustness of replica symmetry breaking phenomenology in random laser

    NASA Astrophysics Data System (ADS)

    Tommasi, Federico; Ignesti, Emilio; Lepri, Stefano; Cavalieri, Stefano

    2016-11-01

    Random lasers are optical sources where light is amplified by stimulated emission along random paths through an amplifying scattering medium. Connections between their physics and the one of quenched disordered nonlinear systems, notably spin glasses, have been recently suggested. Here we report a first experimental study of correlations of spectral fluctuations intensity in a random laser medium where the scatterers displacement significantly changes among consecutive shots. Remarkably, our results reveal that the replica symmetry breaking (RSB) phenomenology is robust with respect to an averaging over different realizations of the disorder. Moreover, besides opening new intriguing questions about the understanding of such a phenomenon, this work aims to clarify the connection between the RSB with the onset of the Lévy regime, i.e. the fluctuations regime that is a peculiar feature of the random lasing under critical conditions. Our results suggest that the former occurs independently of the latter and then the RSB phenomenology is a generic feature linked to the random laser threshold.

  3. Robustness of replica symmetry breaking phenomenology in random laser

    PubMed Central

    Tommasi, Federico; Ignesti, Emilio; Lepri, Stefano; Cavalieri, Stefano

    2016-01-01

    Random lasers are optical sources where light is amplified by stimulated emission along random paths through an amplifying scattering medium. Connections between their physics and the one of quenched disordered nonlinear systems, notably spin glasses, have been recently suggested. Here we report a first experimental study of correlations of spectral fluctuations intensity in a random laser medium where the scatterers displacement significantly changes among consecutive shots. Remarkably, our results reveal that the replica symmetry breaking (RSB) phenomenology is robust with respect to an averaging over different realizations of the disorder. Moreover, besides opening new intriguing questions about the understanding of such a phenomenon, this work aims to clarify the connection between the RSB with the onset of the Lévy regime, i.e. the fluctuations regime that is a peculiar feature of the random lasing under critical conditions. Our results suggest that the former occurs independently of the latter and then the RSB phenomenology is a generic feature linked to the random laser threshold. PMID:27849029

  4. Replica neutron guides for experiments with ultracold neutrons

    NASA Astrophysics Data System (ADS)

    Serebrov, A. P.; Vasil'ev, A. V.; Lasakov, M. S.; Siber, E. V.; Murashkin, A. N.; Egorov, A. I.; Fomin, A. K.; Sbitnev, S. V.; Geltenbort, P.; Zimmer, O.

    2017-01-01

    The method for producing neutron guides for ultracold neutrons based on the replica method has been described. A comparative analysis of the quality of replica neutron guides, neutron guides made from polished anode-mechanical steel tubes, and neutron guides from electropolished tubes has been given.

  5. Reversible folding simulation by hybrid Hamiltonian replica exchange

    NASA Astrophysics Data System (ADS)

    Xu, Weixin; Lai, Tingfeng; Yang, Ye; Mu, Yuguang

    2008-05-01

    Reversible foldings of a β-hairpin peptide, chignolin, by recently invented hybrid Hamiltonian replica exchange molecular dynamics simulations based on Poisson-Boltzmann model in explicit water are demonstrated. Initiated from extended structures the peptide folded and unfolded a couple of times in seven out of eight replica trajectories during 100 nanoseconds simulation. The folded states have the lowest all-atom root mean squared deviation of 1.3Å with respect to the NMR structures. At T =300K the occurrence of folded states was converged to 62% during 80ns simulation which agrees well with experimental data. Especially, a detailed structural evolution map was constructed based on 800 000 structural snapshots and from where a unique folding doorway emerges. Compared with 130ns standard replica exchange simulation using 24 replicas on the same system, the hybrid Hamiltonian replica exchange molecular dynamics simulation presents consistent results.

  6. Asynchronous replica exchange software for grid and heterogeneous computing

    NASA Astrophysics Data System (ADS)

    Gallicchio, Emilio; Xia, Junchao; Flynn, William F.; Zhang, Baofeng; Samlalsingh, Sade; Mentes, Ahmet; Levy, Ronald M.

    2015-11-01

    Parallel replica exchange sampling is an extended ensemble technique often used to accelerate the exploration of the conformational ensemble of atomistic molecular simulations of chemical systems. Inter-process communication and coordination requirements have historically discouraged the deployment of replica exchange on distributed and heterogeneous resources. Here we describe the architecture of a software (named ASyncRE) for performing asynchronous replica exchange molecular simulations on volunteered computing grids and heterogeneous high performance clusters. The asynchronous replica exchange algorithm on which the software is based avoids centralized synchronization steps and the need for direct communication between remote processes. It allows molecular dynamics threads to progress at different rates and enables parameter exchanges among arbitrary sets of replicas independently from other replicas. ASyncRE is written in Python following a modular design conducive to extensions to various replica exchange schemes and molecular dynamics engines. Applications of the software for the modeling of association equilibria of supramolecular and macromolecular complexes on BOINC campus computational grids and on the CPU/MIC heterogeneous hardware of the XSEDE Stampede supercomputer are illustrated. They show the ability of ASyncRE to utilize large grids of desktop computers running the Windows, MacOS, and/or Linux operating systems as well as collections of high performance heterogeneous hardware devices.

  7. Asynchronous Replica Exchange Software for Grid and Heterogeneous Computing.

    PubMed

    Gallicchio, Emilio; Xia, Junchao; Flynn, William F; Zhang, Baofeng; Samlalsingh, Sade; Mentes, Ahmet; Levy, Ronald M

    2015-11-01

    Parallel replica exchange sampling is an extended ensemble technique often used to accelerate the exploration of the conformational ensemble of atomistic molecular simulations of chemical systems. Inter-process communication and coordination requirements have historically discouraged the deployment of replica exchange on distributed and heterogeneous resources. Here we describe the architecture of a software (named ASyncRE) for performing asynchronous replica exchange molecular simulations on volunteered computing grids and heterogeneous high performance clusters. The asynchronous replica exchange algorithm on which the software is based avoids centralized synchronization steps and the need for direct communication between remote processes. It allows molecular dynamics threads to progress at different rates and enables parameter exchanges among arbitrary sets of replicas independently from other replicas. ASyncRE is written in Python following a modular design conducive to extensions to various replica exchange schemes and molecular dynamics engines. Applications of the software for the modeling of association equilibria of supramolecular and macromolecular complexes on BOINC campus computational grids and on the CPU/MIC heterogeneous hardware of the XSEDE Stampede supercomputer are illustrated. They show the ability of ASyncRE to utilize large grids of desktop computers running the Windows, MacOS, and/or Linux operating systems as well as collections of high performance heterogeneous hardware devices.

  8. Asynchronous Replica Exchange Software for Grid and Heterogeneous Computing

    PubMed Central

    Gallicchio, Emilio; Xia, Junchao; Flynn, William F.; Zhang, Baofeng; Samlalsingh, Sade; Mentes, Ahmet; Levy, Ronald M.

    2015-01-01

    Parallel replica exchange sampling is an extended ensemble technique often used to accelerate the exploration of the conformational ensemble of atomistic molecular simulations of chemical systems. Inter-process communication and coordination requirements have historically discouraged the deployment of replica exchange on distributed and heterogeneous resources. Here we describe the architecture of a software (named ASyncRE) for performing asynchronous replica exchange molecular simulations on volunteered computing grids and heterogeneous high performance clusters. The asynchronous replica exchange algorithm on which the software is based avoids centralized synchronization steps and the need for direct communication between remote processes. It allows molecular dynamics threads to progress at different rates and enables parameter exchanges among arbitrary sets of replicas independently from other replicas. ASyncRE is written in Python following a modular design conducive to extensions to various replica exchange schemes and molecular dynamics engines. Applications of the software for the modeling of association equilibria of supramolecular and macromolecular complexes on BOINC campus computational grids and on the CPU/MIC heterogeneous hardware of the XSEDE Stampede supercomputer are illustrated. They show the ability of ASyncRE to utilize large grids of desktop computers running the Windows, MacOS, and/or Linux operating systems as well as collections of high performance heterogeneous hardware devices. PMID:27103749

  9. Optimized replica gas estimation of absolute integrals and partition functions

    NASA Astrophysics Data System (ADS)

    Minh, David D. L.

    2010-09-01

    In contrast with most Monte Carlo integration algorithms, which are used to estimate ratios, the replica gas identities recently introduced by Adib enable the estimation of absolute integrals and partition functions using multiple copies of a system and normalized transition functions. Here, an optimized form is presented. After generalizing a replica gas identity with an arbitrary weighting function, we obtain a functional form that has the minimal asymptotic variance for samples from two replicas and is provably good for a larger number. This equation is demonstrated to improve the convergence of partition function estimates in a two-dimensional Ising model.

  10. Optimized replica gas estimation of absolute integrals and partition functions.

    SciTech Connect

    Minh, D.

    2010-01-01

    In contrast with most Monte Carlo integration algorithms, which are used to estimate ratios, the replica gas identities recently introduced by Adib enable the estimation of absolute integrals and partition functions using multiple copies of a system and normalized transition functions. Here, an optimized form is presented. After generalizing a replica gas identity with an arbitrary weighting function, we obtain a functional form that has the minimal asymptotic variance for samples from two replicas and is provably good for a larger number. This equation is demonstrated to improve the convergence of partition function estimates in a two-dimensional Ising model.

  11. SRF Cavity Surface Topography Characterization Using Replica Techniques

    SciTech Connect

    C. Xu, M.J. Kelley, C.E. Reece

    2012-07-01

    To better understand the roll of topography on SRF cavity performance, we seek to obtain detailed topographic information from the curved practical cavity surfaces. Replicas taken from a cavity interior surface provide internal surface molds for fine Atomic Force Microscopy (AFM) and stylus profilometry. In this study, we confirm the replica resolution both on surface local defects such as grain boundary and etching pits and compare the surface uniform roughness with the aid of Power Spectral Density (PSD) where we can statistically obtain roughness parameters at different scales. A series of sampling locations are at the same magnetic field chosen at the same latitude on a single cell cavity to confirm the uniformity. Another series of sampling locations at different magnetic field amplitudes are chosen for this replica on the same cavity for later power loss calculation. We also show that application of the replica followed by rinsing does not adversely affect the cavity performance.

  12. Gamma-ray dosimetry measurements of the Little Boy replica

    SciTech Connect

    Plassmann, E.A.; Pederson, R.A.

    1984-01-01

    We present the current status of our gamma-ray dosimetry results for the Little Boy replica. Both Geiger-Mueller and thermoluminescent detectors were used in the measurements. Future work is needed to test assumptions made in data analysis.

  13. Shuttle Replica On The Way To Space Center Houston

    NASA Video Gallery

    Atop a barge, the space shuttle full-scale replica nears the completion of its eight-day journey from the Kennedy Space Center destined for permanent retention at Space Center Houston, near the NAS...

  14. JavaFIRE: A Replica and File System for Grids

    NASA Astrophysics Data System (ADS)

    Petek, Marko; da Silva Gomes, Diego; Resin Geyer, Claudio Fernando; Santoro, Alberto; Gowdy, Stephen

    2012-12-01

    The work is focused on the creation of a replica and file transfers system for Computational Grids inspired on the needs of the High Energy Physics (HEP). Due to the high volume of data created by the HEP experiments, an efficient file and dataset replica system may play an important role on the computing model. Data replica systems allow the creation of copies, distributed between the different storage elements on the Grid. In the HEP context, the data files are basically immutable. This eases the task of the replica system, because given sufficient local storage resources any dataset just needs to be replicated to a particular site once. Concurrent with the advent of computational Grids, another important theme in the distributed systems area that has also seen some significant interest is that of peer-to-peer networks (p2p). P2p networks are an important and evolving mechanism that eases the use of distributed computing and storage resources by end users. One common technique to achieve faster file download from possibly overloaded storage elements over congested networks is to split the files into smaller pieces. This way, each piece can be transferred from a different replica, in parallel or not, optimizing the moments when the network conditions are better suited to the transfer. The main tasks achieved by the system are: the creation of replicas, the development of a system for replicas transfer (RFT) and for replicas location (RLS) with a different architecture that the one provided by Globus and the development of a system for file transfer in pieces on computational grids with interfaces for several storage elements. The RLS uses a p2p overlay based on the Kademlia algorithm.

  15. Bayesian ensemble refinement by replica simulations and reweighting

    NASA Astrophysics Data System (ADS)

    Hummer, Gerhard; Köfinger, Jürgen

    2015-12-01

    We describe different Bayesian ensemble refinement methods, examine their interrelation, and discuss their practical application. With ensemble refinement, the properties of dynamic and partially disordered (bio)molecular structures can be characterized by integrating a wide range of experimental data, including measurements of ensemble-averaged observables. We start from a Bayesian formulation in which the posterior is a functional that ranks different configuration space distributions. By maximizing this posterior, we derive an optimal Bayesian ensemble distribution. For discrete configurations, this optimal distribution is identical to that obtained by the maximum entropy "ensemble refinement of SAXS" (EROS) formulation. Bayesian replica ensemble refinement enhances the sampling of relevant configurations by imposing restraints on averages of observables in coupled replica molecular dynamics simulations. We show that the strength of the restraints should scale linearly with the number of replicas to ensure convergence to the optimal Bayesian result in the limit of infinitely many replicas. In the "Bayesian inference of ensembles" method, we combine the replica and EROS approaches to accelerate the convergence. An adaptive algorithm can be used to sample directly from the optimal ensemble, without replicas. We discuss the incorporation of single-molecule measurements and dynamic observables such as relaxation parameters. The theoretical analysis of different Bayesian ensemble refinement approaches provides a basis for practical applications and a starting point for further investigations.

  16. Antiferromagnetic Ising spin glass competing with BCS pairing interaction in a transverse field

    NASA Astrophysics Data System (ADS)

    Magalhães, S. G.; Zimmer, F. M.; Kipper, C. J.; Calegari, E. J.

    2006-07-01

    The competition among spin glass (SG), antiferromagnetism (AF) and local pairing superconductivity (PAIR) is studied in a two-sublattice fermionic Ising spin glass model with a local BCS pairing interaction in the presence of an applied magnetic transverse field Γ. In the present approach, spins in different sublattices interact with a Gaussian random coupling with an antiferromagnetic mean J0 and standard deviation J. The problem is formulated in the path integral formalism in which spin operators are represented by bilinear combinations of Grassmann variables. The saddle-point Grand Canonical potential is obtained within the static approximation and the replica symmetric ansatz. The results are analysed in phase diagrams in which the AF and the SG phases can occur for small g (g is the strength of the local superconductor coupling written in units of J), while the PAIR phase appears as unique solution for large g. However, there is a complex line transition separating the PAIR phase from the others. It is second order at high temperature that ends in a tricritical point. The quantum fluctuations affect deeply the transition lines and the tricritical point due to the presence of Γ.

  17. From random walks to spin glasses

    NASA Astrophysics Data System (ADS)

    Derrida, B.

    1997-02-01

    The talk was a short review on systems which exhibit non-self-averaging effects: sums of random variables when the distribution has a long tail, mean field spin glasses, random map models and returns of a random walk to the origin. Non-self-averaging effects are identical in the case of sums of random variables and in the spin glass problem as predicted by the replica approach. Also we will see that for the random map models or for the problem of the returns of a random walk to the origin, the non-self-averaging effects coincide with the results of the replica approach when the number n of replica n = - {1}/{2} or n = -1.

  18. Flexible Nonstick Replica Mold for Transfer Printing of Ag Ink.

    PubMed

    Lee, Bong Kuk; Yu, Han Young; Kim, Yarkyeon; Yoon, Yong Sun; Jang, Won Ik; Do, Lee-Mi; Park, Ji-Ho; Park, Jaehoon

    2016-03-01

    We report the fabrication of flexible replica molds for transfer printing of Ag ink on a rigid glass substrate. As mold precursors, acrylic mixtures were prepared from silsesquioxane-based materials, silicone acrylate, poly(propylene glycol) diacrylate, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluorodecyl methacrylate, and photoinitiator. By using these materials, the replica molds were fabricated from a silicon master onto a flexible substrate by means of UV-assisted molding process at room temperature. The wettability of Ag ink decreased with increase in the water contact angle of replica molds. On the other hand, the transfer rate of Ag ink onto adhesive-modified substrates increased with increase in the water contact angle of replica molds. Transferred patterns were found to be thermally stable on the photocurable adhesive layer, whereas Ag-ink patterns transferred on non-photocurable adhesives were distorted by thermal treatment. We believe that these characteristics of replica molds and adhesives offer a new strategy for the development of the transfer printing of solution-based ink materials.

  19. Replica exchange simulation method using temperature and solvent viscosity

    NASA Astrophysics Data System (ADS)

    Nguyen, Phuong H.

    2010-04-01

    We propose an efficient and simple method for fast conformational sampling by introducing the solvent viscosity as a parameter to the conventional temperature replica exchange molecular dynamics (T-REMD) simulation method. The method, named V-REMD (V stands for viscosity), uses both low solvent viscosity and high temperature to enhance sampling for each replica; therefore it requires fewer replicas than the T-REMD method. To reduce the solvent viscosity by a factor of λ in a molecular dynamics simulation, one can simply reduce the mass of solvent molecules by a factor of λ2. This makes the method as simple as the conventional method. Moreover, thermodynamic and conformational properties of structures in replicas are still useful as long as one has sufficiently sampled the Boltzmann ensemble. The advantage of the present method has been demonstrated with the simulations of the trialanine, deca-alanine, and a 16-residue β-hairpin peptides. It shows that the method could reduce the number of replicas by a factor of 1.5 to 2 as compared with the T-REMD method.

  20. UV/ozone cleaning of a replica grating

    NASA Astrophysics Data System (ADS)

    Hansen, Roger W. C.; Wolske, Jeff; Takacs, Peter Z.

    1994-08-01

    UV/ozone cleaning was evaluated for cleaning a carbon-contaminated replica grating. Replica optics represent a challenging test of any cleaning process because of the potential for damage to the epoxy layer which can severely degrade the surface figure and finish. A badly contaminated replica grating was divided into three sections for this study. One section was cleaned using a mercury lamp, another section was cleaned using a deuterium lamp, and the third section was left as a control. The results were evaluated using a Ronchi test to determine figure error, a Fotonic sensor to estimate reflectivity, and a microscopic evaluation using a Nomarski objective to look for surface damage. Surface roughness measurements were also performed with a Micromap surface profiler. The results indicated that the surface figure and finish were not significantly degraded, and the surface figure was actually improved compared to the contaminated condition. The visible light reflectivity was fully restored in the areas that were cleaned.

  1. Adaptive single replica multiple state transition interface sampling

    NASA Astrophysics Data System (ADS)

    Du, Wei-Na; Bolhuis, Peter G.

    2013-07-01

    The multiple state transition path sampling method allows sampling of rare transitions between many metastable states, but has the drawback that switching between qualitatively different pathways is difficult. Combination with replica exchange transition interface sampling can in principle alleviate this problem, but requires a large number of simultaneous replicas. Here we remove these drawbacks by introducing a single replica sampling algorithm that samples only one interface at a time, while efficiently walking through the entire path space using a Wang-Landau approach or, alternatively, a fixed bias. We illustrate the method on several model systems: a particle diffusing in a simple 2D potential, isomerization in a small Lennard Jones cluster, and isomerization of the alanine dipeptide in explicit water.

  2. Reconstruction of Monte Carlo replicas from Hessian parton distributions

    NASA Astrophysics Data System (ADS)

    Hou, Tie-Jiun; Gao, Jun; Huston, Joey; Nadolsky, Pavel; Schmidt, Carl; Stump, Daniel; Wang, Bo-Ting; Xie, Ke Ping; Dulat, Sayipjamal; Pumplin, Jon; Yuan, C. P.

    2017-03-01

    We explore connections between two common methods for quantifying the uncertainty in parton distribution functions (PDFs), based on the Hessian error matrix and Monte-Carlo sampling. CT14 parton distributions in the Hessian representation are converted into Monte-Carlo replicas by a numerical method that reproduces important properties of CT14 Hessian PDFs: the asymmetry of CT14 uncertainties and positivity of individual parton distributions. The ensembles of CT14 Monte-Carlo replicas constructed this way at NNLO and NLO are suitable for various collider applications, such as cross section reweighting. Master formulas for computation of asymmetric standard deviations in the Monte-Carlo representation are derived. A correction is proposed to address a bias in asymmetric uncertainties introduced by the Taylor series approximation. A numerical program is made available for conversion of Hessian PDFs into Monte-Carlo replicas according to normal, log-normal, and Watt-Thorne sampling procedures.

  3. Simulating Replica Exchange: Markov State Models, Proposal Schemes, and the Infinite Swapping Limit.

    PubMed

    Zhang, Bin W; Dai, Wei; Gallicchio, Emilio; He, Peng; Xia, Junchao; Tan, Zhiqiang; Levy, Ronald M

    2016-08-25

    Replica exchange molecular dynamics is a multicanonical simulation technique commonly used to enhance the sampling of solvated biomolecules on rugged free energy landscapes. While replica exchange is relatively easy to implement, there are many unanswered questions about how to use this technique most efficiently, especially because it is frequently the case in practice that replica exchange simulations are not fully converged. A replica exchange cycle consists of a series of molecular dynamics steps of a set of replicas moving under different Hamiltonians or at different thermodynamic states followed by one or more replica exchange attempts to swap replicas among the different states. How the replica exchange cycle is constructed affects how rapidly the system equilibrates. We have constructed a Markov state model of replica exchange (MSMRE) using long molecular dynamics simulations of a host-guest binding system as an example, in order to study how different implementations of the replica exchange cycle can affect the sampling efficiency. We analyze how the number of replica exchange attempts per cycle, the number of MD steps per cycle, and the interaction between the two parameters affects the largest implied time scale of the MSMRE simulation. The infinite swapping limit is an important concept in replica exchange. We show how to estimate the infinite swapping limit from the diagonal elements of the exchange transition matrix constructed from MSMRE "simulations of simulations" as well as from relatively short runs of the actual replica exchange simulations.

  4. Creating technical heritage object replicas in a virtual environment

    NASA Astrophysics Data System (ADS)

    Egorova, Olga; Shcherbinin, Dmitry

    2016-03-01

    The paper presents innovative informatics methods for creating virtual technical heritage replicas, which are of significant scientific and practical importance not only to researchers but to the public in general. By performing 3D modeling and animation of aircrafts, spaceships, architectural-engineering buildings, and other technical objects, the process of learning is achieved while promoting the preservation of the replicas for future generations. Modern approaches based on the wide usage of computer technologies attract a greater number of young people to explore the history of science and technology and renew their interest in the field of mechanical engineering.

  5. Patrol Detection for Replica Attacks on Wireless Sensor Networks

    PubMed Central

    Wang, Liang-Min; Shi, Yang

    2011-01-01

    Replica attack is a critical concern in the security of wireless sensor networks. We employ mobile nodes as patrollers to detect replicas distributed in different zones in a network, in which a basic patrol detection protocol and two detection algorithms for stationary and mobile modes are presented. Then we perform security analysis to discuss the defense strategies against the possible attacks on the proposed detection protocol. Moreover, we show the advantages of the proposed protocol by discussing and comparing the communication cost and detection probability with some existing methods. PMID:22163752

  6. The glassy random laser: replica symmetry breaking in the intensity fluctuations of emission spectra

    PubMed Central

    Antenucci, Fabrizio; Crisanti, Andrea; Leuzzi, Luca

    2015-01-01

    The behavior of a newly introduced overlap parameter, measuring the correlation between intensity fluctuations of waves in random media, is analyzed in different physical regimes, with varying amount of disorder and non-linearity. This order parameter allows to identify the laser transition in random media and describes its possible glassy nature in terms of emission spectra data, the only data so far accessible in random laser measurements. The theoretical analysis is performed in terms of the complex spherical spin-glass model, a statistical mechanical model describing the onset and the behavior of random lasers in open cavities. Replica Symmetry Breaking theory allows to discern different kinds of randomness in the high pumping regime, including the most complex and intriguing glassy randomness. The outcome of the theoretical study is, eventually, compared to recent intensity fluctuation overlap measurements demonstrating the validity of the theory and providing a straightforward interpretation of qualitatively different spectral behaviors in different random lasers. PMID:26616194

  7. Sparks and Shocks: Replicas of Historical Instruments in Museum Education

    ERIC Educational Resources Information Center

    Rhees, David J.

    2015-01-01

    This paper discusses the variety of ways in which The Bakken Museum has made use of replicas or simulations of historical instruments and experiments and demonstrations in education programs and exhibits for school children, families with children, and other museum audiences. Early efforts were stimulated in the mid-1980s by a collaboration with…

  8. 10 CFR 1.53 - Use of NRC seal or replicas.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Use of NRC seal or replicas. 1.53 Section 1.53 Energy NUCLEAR REGULATORY COMMISSION STATEMENT OF ORGANIZATION AND GENERAL INFORMATION NRC Seal and Flag § 1.53 Use of NRC seal or replicas. (a) The use of the seal or replicas is restricted to the following:...

  9. 10 CFR 1.53 - Use of NRC seal or replicas.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 1 2011-01-01 2011-01-01 false Use of NRC seal or replicas. 1.53 Section 1.53 Energy NUCLEAR REGULATORY COMMISSION STATEMENT OF ORGANIZATION AND GENERAL INFORMATION NRC Seal and Flag § 1.53 Use of NRC seal or replicas. (a) The use of the seal or replicas is restricted to the following:...

  10. 10 CFR 1.53 - Use of NRC seal or replicas.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 1 2014-01-01 2014-01-01 false Use of NRC seal or replicas. 1.53 Section 1.53 Energy NUCLEAR REGULATORY COMMISSION STATEMENT OF ORGANIZATION AND GENERAL INFORMATION NRC Seal and Flag § 1.53 Use of NRC seal or replicas. (a) The use of the seal or replicas is restricted to the following:...

  11. 10 CFR 1.53 - Use of NRC seal or replicas.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 1 2013-01-01 2013-01-01 false Use of NRC seal or replicas. 1.53 Section 1.53 Energy NUCLEAR REGULATORY COMMISSION STATEMENT OF ORGANIZATION AND GENERAL INFORMATION NRC Seal and Flag § 1.53 Use of NRC seal or replicas. (a) The use of the seal or replicas is restricted to the following:...

  12. 10 CFR 1.53 - Use of NRC seal or replicas.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 1 2012-01-01 2012-01-01 false Use of NRC seal or replicas. 1.53 Section 1.53 Energy NUCLEAR REGULATORY COMMISSION STATEMENT OF ORGANIZATION AND GENERAL INFORMATION NRC Seal and Flag § 1.53 Use of NRC seal or replicas. (a) The use of the seal or replicas is restricted to the following:...

  13. 10 CFR 1002.12 - Use of replicas, reproductions, and embossing seals.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Use of replicas, reproductions, and embossing seals. 1002... FLAG Official Seal § 1002.12 Use of replicas, reproductions, and embossing seals. (a) The Secretary and his designees are authorized to affix replicas, reproductions, and embossing seals to...

  14. 10 CFR 1002.12 - Use of replicas, reproductions, and embossing seals.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 4 2014-01-01 2014-01-01 false Use of replicas, reproductions, and embossing seals. 1002... FLAG Official Seal § 1002.12 Use of replicas, reproductions, and embossing seals. (a) The Secretary and his designees are authorized to affix replicas, reproductions, and embossing seals to...

  15. 10 CFR 1002.12 - Use of replicas, reproductions, and embossing seals.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 4 2011-01-01 2011-01-01 false Use of replicas, reproductions, and embossing seals. 1002... FLAG Official Seal § 1002.12 Use of replicas, reproductions, and embossing seals. (a) The Secretary and his designees are authorized to affix replicas, reproductions, and embossing seals to...

  16. 10 CFR 1002.12 - Use of replicas, reproductions, and embossing seals.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 4 2012-01-01 2012-01-01 false Use of replicas, reproductions, and embossing seals. 1002... FLAG Official Seal § 1002.12 Use of replicas, reproductions, and embossing seals. (a) The Secretary and his designees are authorized to affix replicas, reproductions, and embossing seals to...

  17. 10 CFR 1002.12 - Use of replicas, reproductions, and embossing seals.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 4 2013-01-01 2013-01-01 false Use of replicas, reproductions, and embossing seals. 1002... FLAG Official Seal § 1002.12 Use of replicas, reproductions, and embossing seals. (a) The Secretary and his designees are authorized to affix replicas, reproductions, and embossing seals to...

  18. Accuracy of three-dimensional printing for manufacturing replica teeth

    PubMed Central

    Lee, Keun-Young; Cho, Jin-Woo; Chang, Na-Young; Chae, Jong-Moon; Kang, Kyung-Hwa; Kim, Sang-Cheol

    2015-01-01

    Objective Three-dimensional (3D) printing is a recent technological development that may play a significant role in orthodontic diagnosis and treatment. It can be used to fabricate skull models or study models, as well as to make replica teeth in autotransplantation or tooth impaction cases. The aim of this study was to evaluate the accuracy of fabrication of replica teeth made by two types of 3D printing technologies. Methods Fifty extracted molar teeth were selected as samples. They were scanned to generate high-resolution 3D surface model stereolithography files. These files were converted into physical models using two types of 3D printing technologies: Fused deposition modeling (FDM) and PolyJet technology. All replica teeth were scanned and 3D images generated. Computer software compared the replica teeth to the original teeth with linear measurements, volumetric measurements, and mean deviation measurements with best-fit alignment. Paired t-tests were used to statistically analyze the measurements. Results Most measurements of teeth formed using FDM tended to be slightly smaller, while those of the PolyJet replicas tended to be slightly larger, than those of the extracted teeth. Mean deviation measurements with best-fit alignment of FDM and PolyJet group were 0.047 mm and 0.038 mm, respectively. Although there were statistically significant differences, they were regarded as clinically insignificant. Conclusions This study confirms that FDM and PolyJet technologies are accurate enough to be usable in orthodontic diagnosis and treatment. PMID:26445716

  19. PELDOR in rotationally symmetric homo-oligomers

    NASA Astrophysics Data System (ADS)

    Giannoulis, Angeliki; Ward, Richard; Branigan, Emma; Naismith, James H.; Bode, Bela E.

    2013-10-01

    Nanometre distance measurements by pulsed electron-electron double resonance (PELDOR) spectroscopy have become an increasingly important tool in structural biology. The theoretical underpinning of the experiment is well defined for systems containing two nitroxide spin-labels (spin pairs); however, recently experiments have been reported on homo-oligomeric membrane proteins consisting of up to eight spin-labelled monomers. We have explored the theory behind these systems by examining model systems based on multiple spins arranged in rotationally symmetric polygons. The results demonstrate that with a rising number of spins within the test molecule, increasingly strong distortions appear in distance distributions obtained from an analysis based on the simple spin pair approach. These distortions are significant over a range of system sizes and remain so even when random errors are introduced into the symmetry of the model. We present an alternative approach to the extraction of distances on such systems based on a minimisation that properly treats multi-spin correlations. We demonstrate the utility of this approach on a spin-labelled mutant of the heptameric Mechanosensitive Channel of Small Conductance of E. coli.

  20. Symmetric missile dynamic instabilities: A review

    NASA Astrophysics Data System (ADS)

    Murphy, C. H.

    1980-03-01

    Dynamic instabilities observed for symmetric missiles and projectiles arise from a large variety of causes. These include unstable linear damping moments, and different nonlinear in-plane and out-of-plane damping moments for nonspinning re-entry vehicles, nonlinear Magnus moments for spinning missiles, and internal resonance with moving payload components. If aerodynamic trim is present, linear spin-yaw resonance can occur as well as nonlinear subharmonic motions and a number of other limit motions. This report gives a complete survey of these possibilities with a number of actual case histories.

  1. Cumulative overlap distribution function in realistic spin glasses

    NASA Astrophysics Data System (ADS)

    Billoire, A.; Maiorano, A.; Marinari, E.; Martin-Mayor, V.; Yllanes, D.

    2014-09-01

    We use a sample-dependent analysis, based on medians and quantiles, to analyze the behavior of the overlap probability distribution of the Sherrington-Kirkpatrick and 3D Edwards-Anderson models of Ising spin glasses. We find that this approach is an effective tool to distinguish between replica symmetry breaking-like and droplet-like behavior of the spin-glass phase. Our results are in agreement with a replica symmetry breaking-like behavior for the 3D Edwards-Anderson model.

  2. Symmetric States on the Octonionic Bloch Ball

    NASA Astrophysics Data System (ADS)

    Graydon, Matthew

    2012-02-01

    Finite-dimensional homogeneous self-dual cones arise as natural candidates for convex sets of states and effects in a variety of approaches towards understanding the foundations of quantum theory in terms of information-theoretic concepts. The positive cone of the ten-dimensional Jordan-algebraic spin factor is one particular instantiation of such a convex set in generalized frameworks for quantum theory. We consider a projection of the regular 9-simplex onto the octonionic projective line to form a highly symmetric structure of ten octonionic quantum states on the surface of the octonionic Bloch ball. A uniform subnormalization of these ten symmetric states yields a symmetric informationally complete octonionic quantum measurement. We discuss a Quantum Bayesian reformulation of octonionic quantum formalism for the description of two-dimensional physical systems. We also describe a canonical embedding of the octonionic Bloch ball into an ambient space for states in usual complex quantum theory.

  3. Walking freely in the energy and temperature space by the modified replica exchange molecular dynamics method.

    PubMed

    Chen, Changjun; Huang, Yanzhao

    2016-06-30

    Replica Exchange Molecular Dynamics (REMD) method is a powerful sampling tool in molecular simulations. Recently, we made a modification to the standard REMD method. It places some inactive replicas at different temperatures as well as the active replicas. The method completely decouples the number of the active replicas and the number of the temperature levels. In this article, we make a further modification to our previous method. It uses the inactive replicas in a different way. The inactive replicas first sample in their own knowledge-based energy databases and then participate in the replica exchange operations in the REMD simulation. In fact, this method is a hybrid between the standard REMD method and the simulated tempering method. Using different active replicas, one can freely control the calculation quantity and the convergence speed of the simulation. To illustrate the performance of the method, we apply it to some small models. The distribution functions of the replicas in the energy space and temperature space show that the modified REMD method in this work can let the replicas walk freely in both of the two spaces. With the same number of the active replicas, the free energy surface in the simulation converges faster than the standard REMD. © 2016 Wiley Periodicals, Inc.

  4. PT-Symmetric Quantum Liouvillean Dynamics

    NASA Astrophysics Data System (ADS)

    Prosen, Tomaž

    2012-08-01

    We discuss a combination of unitary and antiunitary symmetry of quantum Liouvillean dynamics, in the context of open quantum systems, which implies a D2 symmetry of the complex Liouvillean spectrum. For sufficiently weak system-bath coupling, it implies a uniform decay rate for all coherences, i.e., off-diagonal elements of the system’s density matrix taken in the eigenbasis of the Hamiltonian. As an example, we discuss symmetrically boundary driven open XXZ spin 1/2 chains.

  5. Storing files in a parallel computing system using list-based index to identify replica files

    DOEpatents

    Faibish, Sorin; Bent, John M.; Tzelnic, Percy; Zhang, Zhenhua; Grider, Gary

    2015-07-21

    Improved techniques are provided for storing files in a parallel computing system using a list-based index to identify file replicas. A file and at least one replica of the file are stored in one or more storage nodes of the parallel computing system. An index for the file comprises at least one list comprising a pointer to a storage location of the file and a storage location of the at least one replica of the file. The file comprises one or more of a complete file and one or more sub-files. The index may also comprise a checksum value for one or more of the file and the replica(s) of the file. The checksum value can be evaluated to validate the file and/or the file replica(s). A query can be processed using the list.

  6. Augmentation of Cavity Optical Inspection by Replicas Without Performance Degradation

    SciTech Connect

    Ge, M.; Burk, D.; Hicks, D.; Wu, G.; Thompson, C.; Cooley, L.D.; /Fermilab

    2009-01-01

    Although cavity optical inspection systems provide a huge amount of qualitative information about surface features, the amount of quantitative topographic informa-tion is limited. Here, we report the use of silicone-based RTV for replicas and moldings that provide increased details of topographic data associated with the optical cavity images. Profilometry scans of the molds yield mi-crometer-scale details associated with equator weld struc-tures and weld pits. This confirms at least two different types of pits, one which is bowl-shaped, and one which has a small peak at the bottom. The contour information extracted from profilometry can be used to evaluate mechanisms by which pits and other features limit RF performance. We present calculations based on a con-formal transformation of the profiles above. We also show that application of the replica followed by rinsing does not adversely affect the cavity performance.

  7. Replica inference approach to unsupervised multiscale image segmentation.

    PubMed

    Hu, Dandan; Ronhovde, Peter; Nussinov, Zohar

    2012-01-01

    We apply a replica-inference-based Potts model method to unsupervised image segmentation on multiple scales. This approach was inspired by the statistical mechanics problem of "community detection" and its phase diagram. Specifically, the problem is cast as identifying tightly bound clusters ("communities" or "solutes") against a background or "solvent." Within our multiresolution approach, we compute information-theory-based correlations among multiple solutions ("replicas") of the same graph over a range of resolutions. Significant multiresolution structures are identified by replica correlations manifest by information theory overlaps. We further employ such information theory measures (such as normalized mutual information and variation of information), thermodynamic quantities such as the system entropy and energy, and dynamic measures monitoring the convergence time to viable solutions as metrics for transitions between various solvable and unsolvable phases. Within the solvable phase, transitions between contending solutions (such as those corresponding to segmentations on different scales) may also appear. With the aid of these correlations as well as thermodynamic measures, the phase diagram of the corresponding Potts model is analyzed at both zero and finite temperatures. Optimal parameters corresponding to a sensible unsupervised segmentations appear within the "easy phase" of the Potts model. Our algorithm is fast and shown to be at least as accurate as the best algorithms to date and to be especially suited to the detection of camouflaged images.

  8. Replica mold for nanoimprint lithography from a novel hybrid resin.

    PubMed

    Lee, Bong Kuk; Hong, Lan-Young; Lee, Hea Yeon; Kim, Dong-Pyo; Kawai, Tomoji

    2009-10-06

    The use of durable replica molds with high feature resolution has been proposed as an inexpensive and convenient route for manufacturing nanostructured materials. A simple and fast duplication method, involving the use of a master mold to create durable polymer replicas as imprinting molds, has been demonstrated using both UV- and thermal nanoimprinting lithography (NIL). To obtain a high-durability replicating material, a dual UV/thermal-curable, organic-inorganic hybrid resin was synthesized using a sol-gel-based combinatorial method. The cross-linked hybrid resin exhibited high transparency to UV light and resistance to organic solvents. Molds made of this material showed good mechanical properties (Young's modulus=1.76 GPa) and gas permeability. The low viscosity of the hybrid resin (approximately 29 cP) allowed it to be easily transferred to relief nanostructures on transparent glass substrates using UV-NIL at room temperature and low pressure (0.2 MPa) over a relatively short time (80 s). A low surface energy release agent was successfully coated onto the hybrid mold surface without destroying the imprinted nanostructures, even after O2 plasma treatment. Nanostructures with feature sizes down to 80 nm were successfully reproduced using these molds in both UV- and thermal-NIL processes. After repeating 10 imprinting cycles at relatively high temperature and pressure, no detectable collapse or contamination of the replica surface was observed. These results indicate that the hybrid molds could tolerate repeated UV- and thermal-NIL processes.

  9. Zebrafish response to a robotic replica in three dimensions

    PubMed Central

    Ruberto, Tommaso; Mwaffo, Violet; Singh, Sukhgewanpreet; Neri, Daniele

    2016-01-01

    As zebrafish emerge as a species of choice for the investigation of biological processes, a number of experimental protocols are being developed to study their social behaviour. While live stimuli may elicit varying response in focal subjects owing to idiosyncrasies, tiredness and circadian rhythms, video stimuli suffer from the absence of physical input and rely only on two-dimensional projections. Robotics has been recently proposed as an alternative approach to generate physical, customizable, effective and consistent stimuli for behavioural phenotyping. Here, we contribute to this field of investigation through a novel four-degree-of-freedom robotics-based platform to manoeuvre a biologically inspired three-dimensionally printed replica. The platform enables three-dimensional motions as well as body oscillations to mimic zebrafish locomotion. In a series of experiments, we demonstrate the differential role of the visual stimuli associated with the biologically inspired replica and its three-dimensional motion. Three-dimensional tracking and information-theoretic tools are complemented to quantify the interaction between zebrafish and the robotic stimulus. Live subjects displayed a robust attraction towards the moving replica, and such attraction was lost when controlling for its visual appearance or motion. This effort is expected to aid zebrafish behavioural phenotyping, by offering a novel approach to generate physical stimuli moving in three dimensions. PMID:27853566

  10. Symmetrical gait descriptions

    NASA Astrophysics Data System (ADS)

    Dunajewski, Adam; Dusza, Jacek J.; Rosado Muñoz, Alfredo

    2014-11-01

    The article presents a proposal for the description of human gait as a periodic and symmetric process. Firstly, the data for researches was obtained in the Laboratory of Group SATI in the School of Engineering of University of Valencia. Then, the periodical model - Mean Double Step (MDS) was made. Finally, on the basis of MDS, the symmetrical models - Left Mean Double Step and Right Mean Double Step (LMDS and RMDS) could be created. The method of various functional extensions was used. Symmetrical gait models can be used to calculate the coefficients of asymmetry at any time or phase of the gait. In this way it is possible to create asymmetry, function which better describes human gait dysfunction. The paper also describes an algorithm for calculating symmetric models, and shows exemplary results based on the experimental data.

  11. Symmetric continued fractions

    SciTech Connect

    Panprasitwech, Oranit; Laohakosol, Vichian; Chaichana, Tuangrat

    2010-11-11

    Explicit formulae for continued fractions with symmetric patterns in their partial quotients are constructed in the field of formal power series. Similar to the work of Cohn in 1996, which generalized the so-called folding lemma to {kappa}-fold symmetry, the notion of {kappa}-duplicating symmetric continued fractions is investigated using a modification of the 1995 technique due to Clemens, Merrill and Roeder.

  12. A Symmetrized Basis for Transitions in the Heisenberg Model

    NASA Astrophysics Data System (ADS)

    Haydock, Roger; Nex, C. M. M.

    2013-03-01

    The spin-S Heisenberg model has 2S+1 states on each site, for which there are (2S+1)2 possible transitions between these states. For N sites there are (2S+1)N states and (2S+1)2N transitions between states. This rapid increase in the number of transitions with sites appears to limit calculations to just a few sites. However for transitions induced by spin-spin interactions, we construct a symmetrized basis which only grows as 2N-3, making possible computations for much larger systems. Supported by the Richmond F. Snyder Fund.

  13. Stochastic thermodynamics for Ising chain and symmetric exclusion process

    NASA Astrophysics Data System (ADS)

    Toral, R.; Van den Broeck, C.; Escaff, D.; Lindenberg, Katja

    2017-03-01

    We verify the finite-time fluctuation theorem for a linear Ising chain in contact with heat reservoirs at its ends. Analytic results are derived for a chain consisting of two spins. The system can be mapped onto a model for particle transport, namely, the symmetric exclusion process in contact with thermal and particle reservoirs. We modify the symmetric exclusion process to represent a thermal engine and reproduce universal features of the efficiency at maximum power.

  14. Replica Ornstein-Zernike self-consistent theory for mixtures in random pores.

    PubMed

    Pellicane, G; Caccamo, C; Wilson, D S; Lee, L L

    2004-06-01

    We present a self-consistent integral equation theory for a binary liquid in equilibrium with a disordered medium, based on the formalism of the replica Ornstein-Zernike (ROZ) equations. Specifically, we derive direct formulas for the chemical potentials and the zero-separation theorems (the latter provide a connection between the chemical potentials and the fluid cavity distribution functions). Next we solve a modified-Verlet closure to ROZ equations, which has built-in parameters that can be adjusted to satisfy the zero-separation theorems. The degree of thermodynamic consistency of the theory is also kept under control. We model the binary fluid in random pores as a symmetrical binary mixture of nonadditive hard spheres in a disordered hard-sphere matrix and consider two different values of the nonadditivity parameter and of the quenched matrix packing fraction, at different mixture concentrations. We compare the theoretical structural properties as obtained through the present approach with Percus-Yevick and Martinov-Sarkisov integral equation theories, and assess both structural and thermodynamic properties by performing canonical standard and biased grand canonical Monte Carlo simulations. Our theory appears superior to the other integral equation schemes here examined and provides reliable estimates of the chemical potentials. This feature should be useful in studying the fluid phase behavior of model adsorbates in random pores in general.

  15. Replica state exchange metadynamics for improving the convergence of free energy estimates.

    PubMed

    Galvelis, Raimondas; Sugita, Yuji

    2015-07-15

    Metadynamics (MTD) is a powerful enhanced sampling method for systems with rugged energy landscapes. It constructs a bias potential in a predefined collective variable (CV) space to overcome barriers between metastable states. In bias-exchange MTD (BE-MTD), multiple replicas approximate the CV space by exchanging bias potentials (replica conditions) with the Metropolis-Hastings (MH) algorithm. We demonstrate that the replica-exchange rates and the convergence of free energy estimates of BE-MTD are improved by introducing the infinite swapping (IS) or the Suwa-Todo (ST) algorithms. Conceptually, IS and ST perform transitions in a replica state space rather than exchanges in a replica condition space. To emphasize this, the proposed scheme is called the replica state exchange MTD (RSE-MTD). Benchmarks were performed with alanine polypeptides in vacuum and water. For the systems tested in this work, there is no significant performance difference between IS and ST.

  16. Biomimetic zinc oxide replica with structural color using butterfly (Ideopsis similis) wings as templates.

    PubMed

    Zhang, Wang; Zhang, Di; Fan, Tongxiang; Ding, Jian; Gu, Jiajun; Guo, Qixin; Ogawa, Hiroshi

    2006-09-01

    Nano-structured colorful zinc oxide (ZnO) replicas were produced using the wings of the Ideopsis similis butterfly as templates. The ZnO replicas we obtained exhibit iridescence, which was clearly observed under an optical microscope (OM). Field emission scanning electron microscope analysis shows that all the microstructure details are maintained faithfully in the ZnO replica. A computer model was established to simulate the diffraction spectral results, which agreed well with the OM images.

  17. Braids, shuffles and symmetrizers

    NASA Astrophysics Data System (ADS)

    Isaev, A. P.; Ogievetsky, O. V.

    2009-07-01

    Multiplicative analogues of the shuffle elements of the braid group rings are introduced; in local representations they give rise to certain graded associative algebras (b-shuffle algebras). For the Hecke and BMW algebras, the (anti)-symmetrizers have simple expressions in terms of the multiplicative shuffles. The (anti)-symmetrizers can be expressed in terms of the highest multiplicative 1-shuffles (for the Hecke and BMW algebras) and in terms of the highest additive 1-shuffles (for the Hecke algebras). The spectra and multiplicities of eigenvalues of the operators of the multiplication by the multiplicative and additive 1-shuffles are examined. Dedicated to the memory of Aleosha Zamolodchikov.

  18. Operator spin foam models

    NASA Astrophysics Data System (ADS)

    Bahr, Benjamin; Hellmann, Frank; Kamiński, Wojciech; Kisielowski, Marcin; Lewandowski, Jerzy

    2011-05-01

    The goal of this paper is to introduce a systematic approach to spin foams. We define operator spin foams, that is foams labelled by group representations and operators, as our main tool. A set of moves we define in the set of the operator spin foams (among other operations) allows us to split the faces and the edges of the foams. We assign to each operator spin foam a contracted operator, by using the contractions at the vertices and suitably adjusted face amplitudes. The emergence of the face amplitudes is the consequence of assuming the invariance of the contracted operator with respect to the moves. Next, we define spin foam models and consider the class of models assumed to be symmetric with respect to the moves we have introduced, and assuming their partition functions (state sums) are defined by the contracted operators. Briefly speaking, those operator spin foam models are invariant with respect to the cellular decomposition, and are sensitive only to the topology and colouring of the foam. Imposing an extra symmetry leads to a family we call natural operator spin foam models. This symmetry, combined with assumed invariance with respect to the edge splitting move, determines a complete characterization of a general natural model. It can be obtained by applying arbitrary (quantum) constraints on an arbitrary BF spin foam model. In particular, imposing suitable constraints on a spin(4) BF spin foam model is exactly the way we tend to view 4D quantum gravity, starting with the BC model and continuing with the Engle-Pereira-Rovelli-Livine (EPRL) or Freidel-Krasnov (FK) models. That makes our framework directly applicable to those models. Specifically, our operator spin foam framework can be translated into the language of spin foams and partition functions. Among our natural spin foam models there are the BF spin foam model, the BC model, and a model corresponding to the EPRL intertwiners. Our operator spin foam framework can also be used for more general spin

  19. PT-symmetric kinks

    SciTech Connect

    Souza Dutra, A. de; Santos, V. G. C. S. dos; Amaro de Faria, A. C. Jr.

    2007-06-15

    Some kinks for non-Hermitian quantum field theories in 1+1 dimensions are constructed. A class of models where the soliton energies are stable and real are found. Although these kinks are not Hermitian, they are symmetric under PT transformations.

  20. PT-symmetric strings

    SciTech Connect

    Amore, Paolo; Fernández, Francisco M.; Garcia, Javier; Gutierrez, German

    2014-04-15

    We study both analytically and numerically the spectrum of inhomogeneous strings with PT-symmetric density. We discuss an exactly solvable model of PT-symmetric string which is isospectral to the uniform string; for more general strings, we calculate exactly the sum rules Z(p)≡∑{sub n=1}{sup ∞}1/E{sub n}{sup p}, with p=1,2,… and find explicit expressions which can be used to obtain bounds on the lowest eigenvalue. A detailed numerical calculation is carried out for two non-solvable models depending on a parameter, obtaining precise estimates of the critical values where pair of real eigenvalues become complex. -- Highlights: •PT-symmetric Hamiltonians exhibit real eigenvalues when PT symmetry is unbroken. •We study PT-symmetric strings with complex density. •They exhibit regions of unbroken PT symmetry. •We calculate the critical parameters at the boundaries of those regions. •There are exact real sum rules for some particular complex densities.

  1. Chaos in Temperature in Generic 2 p-Spin Models

    NASA Astrophysics Data System (ADS)

    Panchenko, Dmitry

    2016-09-01

    We prove chaos in temperature for even p-spin models which include sufficiently many p-spin interaction terms. Our approach is based on a new invariance property for coupled asymptotic Gibbs measures, similar in spirit to the invariance property that appeared in the proof of ultrametricity in Panchenko (Ann Math (2) 177(1):383-393, 2013), used in combination with Talagrand's analogue of Guerra's replica symmetry breaking bound for coupled systems.

  2. Thermostat artifacts in replica exchange molecular dynamics simulations.

    PubMed

    Rosta, Edina; Buchete, Nicolae-Viorel; Hummer, Gerhard

    2009-01-01

    We explore the effects of thermostats in replica exchange molecular dynamics (REMD) simulations. For thermostats that do not produce a canonical ensemble, REMD simulations are found to distort the configuration-space distributions. For bulk water, we find small deviations of the average potential energies, the buildup of tails in the potential energy distributions, and artificial correlations between the energies at different temperatures. If a solute is present, as in protein folding simulations, its conformational equilibrium can be altered. In REMD simulations of a helix-forming peptide with a weak-coupling (Berendsen) thermostat, we find that the folded state is overpopulated by about 10% at low temperatures, and underpopulated at high temperatures. As a consequence, the enthalpy of folding deviates by almost 3 kcal/mol from the correct value. The reason for this population shift is that non-canonical ensembles with narrowed potential energy fluctuations artificially bias toward replica exchanges between low-energy folded structures at the high temperature and high-energy unfolded structures at the low temperature. We conclude that REMD simulations should only be performed in conjunction with thermostats that produce a canonical ensemble.

  3. Replica approach to mean-variance portfolio optimization

    NASA Astrophysics Data System (ADS)

    Varga-Haszonits, Istvan; Caccioli, Fabio; Kondor, Imre

    2016-12-01

    We consider the problem of mean-variance portfolio optimization for a generic covariance matrix subject to the budget constraint and the constraint for the expected return, with the application of the replica method borrowed from the statistical physics of disordered systems. We find that the replica symmetry of the solution does not need to be assumed, but emerges as the unique solution of the optimization problem. We also check the stability of this solution and find that the eigenvalues of the Hessian are positive for r  =  N/T  <  1, where N is the dimension of the portfolio and T the length of the time series used to estimate the covariance matrix. At the critical point r  =  1 a phase transition is taking place. The out of sample estimation error blows up at this point as 1/(1  -  r), independently of the covariance matrix or the expected return, displaying the universality not only of the critical exponent, but also the critical point. As a conspicuous illustration of the dangers of in-sample estimates, the optimal in-sample variance is found to vanish at the critical point inversely proportional to the divergent estimation error.

  4. A Novel General Chemistry Laboratory: Creation of Biomimetic Superhydrophobic Surfaces through Replica Molding

    ERIC Educational Resources Information Center

    Verbanic, Samuel; Brady, Owen; Sanda, Ahmed; Gustafson, Carolina; Donhauser, Zachary J.

    2014-01-01

    Biomimetic replicas of superhydrophobic lotus and taro leaf surfaces can be made using polydimethylsiloxane. These replicas faithfully reproduce the microstructures of the leaves' surface and can be analyzed using contact angle goniometry, self-cleaning experiments, and optical microscopy. These simple and adaptable experiments were used to…

  5. 75 FR 282 - Restricting the Mailing of Replica or Inert Explosive Devices

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-01-05

    ... Explosive Devices AGENCY: Postal Service TM . ACTION: Proposed rule; revised. SUMMARY: The Postal Service...]) to clarify that a proposed new standard to allow for the mailing of replica or inert explosive.... More specifically identify these items as ``replica or inert explosive devices'' rather than...

  6. 75 FR 30300 - Restricting the Mailing of Replica or Inert Explosive Devices

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-01

    ... 111 Restricting the Mailing of Replica or Inert Explosive Devices AGENCY: Postal Service\\TM\\. ACTION... replica or inert explosive devices, such as simulated grenades that are not dangerous but bear a realistic appearance to explosive devices, to Registered Mail\\TM\\ service only. DATES: Effective Date: July 6,...

  7. Finite size corrections in the random energy model and the replica approach

    NASA Astrophysics Data System (ADS)

    Derrida, Bernard; Mottishaw, Peter

    2015-01-01

    We present a systematic and exact way of computing finite size corrections for the random energy model, in its low temperature phase. We obtain explicit (though complicated) expressions for the finite size corrections of the overlap functions. In its low temperature phase, the random energy model is known to exhibit Parisi's broken symmetry of replicas. The finite size corrections given by our exact calculation can be reproduced using replicas if we make specific assumptions about the fluctuations (with negative variances!) of the number and sizes of the blocks when replica symmetry is broken. As an alternative we show that the exact expression for the non-integer moments of the partition function can be written in terms of coupled contour integrals over what can be thought of as ‘complex replica numbers’. Parisi's one step replica symmetry breaking arises naturally from the saddle point of these integrals without making any ansatz or using the replica method. The fluctuations of the ‘complex replica numbers’ near the saddle point in the imaginary direction correspond to the negative variances we observed in the replica calculation. Finally our approach allows one to see why some apparently diverging series or integrals are harmless.

  8. Partial transpose criteria for symmetric states

    NASA Astrophysics Data System (ADS)

    Bohnet-Waldraff, F.; Braun, D.; Giraud, O.

    2016-10-01

    We express the positive-partial-transpose (PPT) separability criterion for symmetric states of multiqubit systems in terms of matrix inequalities based on the recently introduced tensor representation for spin states. We construct a matrix from the tensor representation of the state and show that it is similar to the partial transpose of the density matrix written in the computational basis. Furthermore, the positivity of this matrix is equivalent to the positivity of a correlation matrix constructed from tensor products of Pauli operators. This allows for a more transparent experimental interpretation of the PPT criteria for an arbitrary spin-j state. The unitary matrices connecting our matrix to the partial transpose of the state generalize the so-called magic basis that plays a central role in Wootters' explicit formula for the concurrence of a two-qubit system and the Bell bases used for the teleportation of a one- or two-qubit state.

  9. Tensor eigenvalues and entanglement of symmetric states

    NASA Astrophysics Data System (ADS)

    Bohnet-Waldraff, F.; Braun, D.; Giraud, O.

    2016-10-01

    Tensor eigenvalues and eigenvectors have been introduced in the recent mathematical literature as a generalization of the usual matrix eigenvalues and eigenvectors. We apply this formalism to a tensor that describes a multipartite symmetric state or a spin state, and we investigate to what extent the corresponding tensor eigenvalues contain information about the multipartite entanglement (or, equivalently, the quantumness) of the state. This extends previous results connecting entanglement to spectral properties related to the state. We show that if the smallest tensor eigenvalue is negative, the state is detected as entangled. While for spin-1 states the positivity of the smallest tensor eigenvalue is equivalent to separability, we show that for higher values of the angular momentum there is a correlation between entanglement and the value of the smallest tensor eigenvalue.

  10. Symmetric modular torsatron

    DOEpatents

    Rome, J.A.; Harris, J.H.

    1984-01-01

    A fusion reactor device is provided in which the magnetic fields for plasma confinement in a toroidal configuration is produced by a plurality of symmetrical modular coils arranged to form a symmetric modular torsatron referred to as a symmotron. Each of the identical modular coils is helically deformed and comprise one field period of the torsatron. Helical segments of each coil are connected by means of toroidally directed windbacks which may also provide part of the vertical field required for positioning the plasma. The stray fields of the windback segments may be compensated by toroidal coils. A variety of magnetic confinement flux surface configurations may be produced by proper modulation of the winding pitch of the helical segments of the coils, as in a conventional torsatron, winding the helix on a noncircular cross section and varying the poloidal and radial location of the windbacks and the compensating toroidal ring coils.

  11. Symmetric waterbomb origami.

    PubMed

    Chen, Yan; Feng, Huijuan; Ma, Jiayao; Peng, Rui; You, Zhong

    2016-06-01

    The traditional waterbomb origami, produced from a pattern consisting of a series of vertices where six creases meet, is one of the most widely used origami patterns. From a rigid origami viewpoint, it generally has multiple degrees of freedom, but when the pattern is folded symmetrically, the mobility reduces to one. This paper presents a thorough kinematic investigation on symmetric folding of the waterbomb pattern. It has been found that the pattern can have two folding paths under certain circumstance. Moreover, the pattern can be used to fold thick panels. Not only do the additional constraints imposed to fold the thick panels lead to single degree of freedom folding, but the folding process is also kinematically equivalent to the origami of zero-thickness sheets. The findings pave the way for the pattern being readily used to fold deployable structures ranging from flat roofs to large solar panels.

  12. Symmetric waterbomb origami

    NASA Astrophysics Data System (ADS)

    Chen, Yan; Feng, Huijuan; Ma, Jiayao; Peng, Rui; You, Zhong

    2016-06-01

    The traditional waterbomb origami, produced from a pattern consisting of a series of vertices where six creases meet, is one of the most widely used origami patterns. From a rigid origami viewpoint, it generally has multiple degrees of freedom, but when the pattern is folded symmetrically, the mobility reduces to one. This paper presents a thorough kinematic investigation on symmetric folding of the waterbomb pattern. It has been found that the pattern can have two folding paths under certain circumstance. Moreover, the pattern can be used to fold thick panels. Not only do the additional constraints imposed to fold the thick panels lead to single degree of freedom folding, but the folding process is also kinematically equivalent to the origami of zero-thickness sheets. The findings pave the way for the pattern being readily used to fold deployable structures ranging from flat roofs to large solar panels.

  13. Static cylindrically symmetric spacetimes

    NASA Astrophysics Data System (ADS)

    Fjällborg, Mikael

    2007-05-01

    We prove the existence of static solutions to the cylindrically symmetric Einstein Vlasov system, and we show that the matter cylinder has finite extension in two of the three spatial dimensions. The same results are also proved for a quite general class of equations of state for perfect fluids coupled to the Einstein equations, extending the class of equations of state considered by Bicak et al (2004 Class. Quantum Grav.21 1583). We also obtain this result for the Vlasov Poisson system.

  14. N≥ 𝟐 symmetric superpolynomials

    NASA Astrophysics Data System (ADS)

    Alarie-Vézina, L.; Lapointe, L.; Mathieu, P.

    2017-03-01

    The theory of symmetric functions has been extended to the case where each variable is paired with an anticommuting one. The resulting expressions, dubbed superpolynomials, provide the natural N =1 supersymmetric version of the classical bases of symmetric functions. Here we consider the case where more than one independent anticommuting variable is attached to each ordinary variable. First, the N =2 super-version of the monomial, elementary, homogeneous symmetric functions, as well as the power sums, is constructed systematically (using an exterior-differential formalism for the multiplicative bases), these functions being now indexed by a novel type of superpartitions. Moreover, the scalar product of power sums turns out to have a natural N =2 generalization which preserves the duality between the monomial and homogeneous bases. All these results are then generalized to an arbitrary value of N . Finally, for N =2 , the scalar product and the homogeneous functions are shown to have a one-parameter deformation, a result that prepares the ground for the yet-to-be-defined N =2 Jack superpolynomials.

  15. Observation of Lévy distribution and replica symmetry breaking in random lasers from a single set of measurements

    PubMed Central

    Gomes, Anderson S. L.; Raposo, Ernesto P.; Moura, André L.; Fewo, Serge I.; Pincheira, Pablo I. R.; Jerez, Vladimir; Maia, Lauro J. Q.; de Araújo, Cid B.

    2016-01-01

    Random lasers have been recently exploited as a photonic platform for studies of complex systems. This cross-disciplinary approach opened up new important avenues for the understanding of random-laser behavior, including Lévy-type distributions of strong intensity fluctuations and phase transitions to a photonic spin-glass phase. In this work, we employ the Nd:YBO random laser system to unveil, from a single set of measurements, the physical origin of the complex correspondence between the Lévy fluctuation regime and the replica-symmetry-breaking transition to the spin-glass phase. A novel unexpected finding is also reported: the trend to suppress the spin-glass behavior for high excitation pulse energies. The present description from first principles of this correspondence unfolds new possibilities to characterize other random lasers, such as random fiber lasers, nanolasers and small lasers, which include plasmonic-based, photonic-crystal and bio-derived nanodevices. The statistical nature of the emission provided by random lasers can also impact on their prominent use as sources for speckle-free laser imaging, which nowadays represents one of the most promising applications of random lasers, with expected progress even in cancer research. PMID:27292095

  16. Observation of Lévy distribution and replica symmetry breaking in random lasers from a single set of measurements

    NASA Astrophysics Data System (ADS)

    Gomes, Anderson S. L.; Raposo, Ernesto P.; Moura, André L.; Fewo, Serge I.; Pincheira, Pablo I. R.; Jerez, Vladimir; Maia, Lauro J. Q.; de Araújo, Cid B.

    2016-06-01

    Random lasers have been recently exploited as a photonic platform for studies of complex systems. This cross-disciplinary approach opened up new important avenues for the understanding of random-laser behavior, including Lévy-type distributions of strong intensity fluctuations and phase transitions to a photonic spin-glass phase. In this work, we employ the Nd:YBO random laser system to unveil, from a single set of measurements, the physical origin of the complex correspondence between the Lévy fluctuation regime and the replica-symmetry-breaking transition to the spin-glass phase. A novel unexpected finding is also reported: the trend to suppress the spin-glass behavior for high excitation pulse energies. The present description from first principles of this correspondence unfolds new possibilities to characterize other random lasers, such as random fiber lasers, nanolasers and small lasers, which include plasmonic-based, photonic-crystal and bio-derived nanodevices. The statistical nature of the emission provided by random lasers can also impact on their prominent use as sources for speckle-free laser imaging, which nowadays represents one of the most promising applications of random lasers, with expected progress even in cancer research.

  17. Replica analysis for the duality of the portfolio optimization problem.

    PubMed

    Shinzato, Takashi

    2016-11-01

    In the present paper, the primal-dual problem consisting of the investment risk minimization problem and the expected return maximization problem in the mean-variance model is discussed using replica analysis. As a natural extension of the investment risk minimization problem under only a budget constraint that we analyzed in a previous study, we herein consider a primal-dual problem in which the investment risk minimization problem with budget and expected return constraints is regarded as the primal problem, and the expected return maximization problem with budget and investment risk constraints is regarded as the dual problem. With respect to these optimal problems, we analyze a quenched disordered system involving both of these optimization problems using the approach developed in statistical mechanical informatics and confirm that both optimal portfolios can possess the primal-dual structure. Finally, the results of numerical simulations are shown to validate the effectiveness of the proposed method.

  18. Searching near-replicas of images via clustering

    NASA Astrophysics Data System (ADS)

    Chang, Edward Y.; Li, Chen; Wang, James Z.; Mork, Peter; Wiederhold, Gio

    1999-08-01

    Internet piracy has been one of the major concerns for Web publishing. In this study we present a system, RIME, that we have prototyped for detecting unauthorized image copying on the WWW. To speed up the copy detection, RIME uses a new clustering/hashing approach that first clusters similar images on adjacent disk cylinders and then builds indexes to access the clusters made in this way. Searching for the replicas of an image often takes just one IO to loop up the location of the cluster containing similar objects and one sequential file IO to read in this cluster. Our experimental results show that RIME can detect images copies both more efficiently and effectively than the traditional content- based image retrieval systems that use tree-like structures to index images. In addition, RIME copes well with image format conversion, resampling, requantization and geometric transformation.

  19. Replica exchange Monte Carlo applied to hard spheres.

    PubMed

    Odriozola, Gerardo

    2009-10-14

    In this work a replica exchange Monte Carlo scheme which considers an extended isobaric-isothermal ensemble with respect to pressure is applied to study hard spheres (HSs). The idea behind the proposal is expanding volume instead of increasing temperature to let crowded systems characterized by dominant repulsive interactions to unblock, and so, to produce sampling from disjoint configurations. The method produces, in a single parallel run, the complete HS equation of state. Thus, the first order fluid-solid transition is captured. The obtained results well agree with previous calculations. This approach seems particularly useful to treat purely entropy-driven systems such as hard body and nonadditive hard mixtures, where temperature plays a trivial role.

  20. Replica analysis for the duality of the portfolio optimization problem

    NASA Astrophysics Data System (ADS)

    Shinzato, Takashi

    2016-11-01

    In the present paper, the primal-dual problem consisting of the investment risk minimization problem and the expected return maximization problem in the mean-variance model is discussed using replica analysis. As a natural extension of the investment risk minimization problem under only a budget constraint that we analyzed in a previous study, we herein consider a primal-dual problem in which the investment risk minimization problem with budget and expected return constraints is regarded as the primal problem, and the expected return maximization problem with budget and investment risk constraints is regarded as the dual problem. With respect to these optimal problems, we analyze a quenched disordered system involving both of these optimization problems using the approach developed in statistical mechanical informatics and confirm that both optimal portfolios can possess the primal-dual structure. Finally, the results of numerical simulations are shown to validate the effectiveness of the proposed method.

  1. Conversion of three-dimensional nanostructured biosilica templates into non-oxide replicas

    NASA Astrophysics Data System (ADS)

    Bao, Zhihao

    Diatoms possess characteristics such as abundance, diversity, and high reproductivity, which make their nano-structured frustules (diatom frustules) attractive for a wide range of applications. To overcome the limitation of their silica based frustule composition, diatom frustules have been converted into a variety of materials including silicon, silicon carbide, silver, gold, palladium and carbon in the present study. The compositions and the extent of shape preservation of the replicas are examined and evaluated with different characterization methods such as X-ray diffraction, SEM, TEM and FTIR analyses. These replicas still retained the complex 3D structures and nano-scaled features of the starting diatom frustules. Some properties and possible applications of converted materials are explored and the kinetics and thermodynamics related to the successful replications (conversions) are also studied and discussed: (1) A low temperature (650°C) magnesiothermic reaction was used to convert three dimensional (3-D) nano-structured diatom frustules into microporous nanocrystalline silicon replicas. These silicon replicas possessed a very high surface area (>500 m2/g) and a large population of micropores (≤2 nm). The oxidized silicon frustule replicas exhibited photoluminescence under UV light. A microsensor fabricated from such a silicon frustule replica exhibited rapid (≤25 s) and sensitive nitric oxide gas detection (1 p.p.m.) with very low applied biased voltage (100 mV). This suggested a possible application in microscale gas sensing. The magnesium vapor partial pressure was the key parameter in controlling the products from the magnesiothermic reaction. Magnesium silicide is suggested as the source of magnesium gas to avoid the formation of a magnesium silicide product during the magnesiothermic reaction. (2) Metallic frustule replicas (e.g., Ag, Au, Pd) were obtained by immersing the microporous nanocrystalline silicon replicas in electroless plating

  2. Quantum interference effects in molecular spin hybrids

    NASA Astrophysics Data System (ADS)

    Esat, Taner; Friedrich, Rico; Matthes, Frank; Caciuc, Vasile; Atodiresei, Nicolae; Blügel, Stefan; Bürgler, Daniel E.; Tautz, F. Stefan; Schneider, Claus M.

    2017-03-01

    We have studied by means of low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS) single molecular spin hybrids formed upon chemisorbing a polycyclic aromatic, threefold symmetric hydrocarbon molecule on Co(111) nanoislands. The spin-dependent hybridization between the Co d states and the π orbitals of the molecule leads to a spin-imbalanced electronic structure of the chemisorbed organic molecule. Spin-sensitive measurements reveal that the spin polarization shows intramolecular variations among the different aromatic rings in spite of the highly symmetric adsorption geometry promoted by symmetry matching of the threefold symmetric molecule and the sixfold symmetric Co(111) lattice. Hence the varying degree of spin polarization on the organic molecule does not stem from a different hybridization of the aromatic rings with the Co atoms, but is proposed to be a consequence of the superposition of the spin polarization of the molecule and the spatially modulated spin polarization of the spin-dependent quantum interference pattern of the Co(111) surface state.

  3. Fabrication of the replica templated from butterfly wing scales with complex light trapping structures

    NASA Astrophysics Data System (ADS)

    Han, Zhiwu; Li, Bo; Mu, Zhengzhi; Yang, Meng; Niu, Shichao; Zhang, Junqiu; Ren, Luquan

    2015-11-01

    The polydimethylsiloxane (PDMS) positive replica templated twice from the excellent light trapping surface of butterfly Trogonoptera brookiana wing scales was fabricated by a simple and promising route. The exact SiO2 negative replica was fabricated by using a synthesis method combining a sol-gel process and subsequent selective etching. Afterwards, a vacuum-aided process was introduced to make PDMS gel fill into the SiO2 negative replica, and the PDMS gel was solidified in an oven. Then, the SiO2 negative replica was used as secondary template and the structures in its surface was transcribed onto the surface of PDMS. At last, the PDMS positive replica was obtained. After comparing the PDMS positive replica and the original bio-template in terms of morphology, dimensions and reflectance spectra and so on, it is evident that the excellent light trapping structures of butterfly wing scales were inherited by the PDMS positive replica faithfully. This bio-inspired route could facilitate the preparation of complex light trapping nanostructure surfaces without any assistance from other power-wasting and expensive nanofabrication technologies.

  4. Internal structure analysis of particle-double network gels used in a gel organ replica

    NASA Astrophysics Data System (ADS)

    Abe, Mei; Arai, Masanori; Saito, Azusa; Sakai, Kazuyuki; Kawakami, Masaru; Furukawa, Hidemitsu

    2016-04-01

    In recent years, the fabrication of patient organ replicas using 3D printers has been attracting a great deal of attention in medical fields. However, the cost of these organ replicas is very high as it is necessary to employ very expensive 3D printers and printing materials. Here we present a new gel organ replica, of human kidney, fabricated with a conventional molding technique, using a particle-double network hydrogel (P-DN gel). The replica is transparent and has the feel of a real kidney. It is expected that gel organ replicas produced this way will be a useful tool for the education of trainee surgeons and clinical ultrasonography technologists. In addition to developing a gel organ replica, the internal structure of the P-DN gel used is also discussed. Because the P-DN gel has a complex structure comprised of two different types of network, it has not been possible to investigate them internally in detail. Gels have an inhomogeneous network structure. If it is able to get a more uniform structure, it is considered that this would lead to higher strength in the gel. In the present study we investigate the structure of P-DN gel, using the gel organ replica. We investigated the internal structure of P-DN gel using Scanning Microscopic Light Scattering (SMILS), a non-contacting and non-destructive.

  5. Replica Exchange Improves Sampling in Low-Resolution Docking Stage of RosettaDock

    PubMed Central

    Zhang, Zhe; Lange, Oliver F.

    2013-01-01

    Many protein-protein docking protocols are based on a shotgun approach, in which thousands of independent random-start trajectories minimize the rigid-body degrees of freedom. Another strategy is enumerative sampling as used in ZDOCK. Here, we introduce an alternative strategy, ReplicaDock, using a small number of long trajectories of temperature replica exchange. We compare replica exchange sampling as low-resolution stage of RosettaDock with RosettaDock's original shotgun sampling as well as with ZDOCK. A benchmark of 30 complexes starting from structures of the unbound binding partners shows improved performance for ReplicaDock and ZDOCK when compared to shotgun sampling at equal or less computational expense. ReplicaDock and ZDOCK consistently reach lower energies and generate significantly more near-native conformations than shotgun sampling. Accordingly, they both improve typical metrics of prediction quality of complex structures after refinement. Additionally, the refined ReplicaDock ensembles reach significantly lower interface energies and many previously hidden features of the docking energy landscape become visible when ReplicaDock is applied. PMID:24009670

  6. One more discussion of the replica trick: the example of the exact solution

    NASA Astrophysics Data System (ADS)

    Dotsenko, Victor

    2012-01-01

    Systematic replica field theory calculations are analysed using the examples of two particular one-dimensional 'toy' random models with Gaussian disorder. Due to the simplicity of the models an integer n-th power of the partition function can be calculated here exactly. However, further analytic continuation for non-integer values of the replica parameter n inevitably involves the usual replica method of 'cheating', which nevertheless allows us to derive correct and rather non-trivial results for the entire free energy distribution functions both for a finite system size and in the thermodynamic limit.

  7. Spin foams without spins

    NASA Astrophysics Data System (ADS)

    Hnybida, Jeff

    2016-10-01

    We formulate the spin foam representation of discrete SU(2) gauge theory as a product of vertex amplitudes each of which is the spin network generating function of the boundary graph dual to the vertex. In doing so the sums over spins have been carried out. The boundary data of each n-valent node is explicitly reduced with respect to the local gauge invariance and has a manifest geometrical interpretation as a framed polyhedron of fixed total area. Ultimately, sums over spins are traded for contour integrals over simple poles and recoupling theory is avoided using generating functions.

  8. Geometry and Symmetric Coherent States of Three Qubits Systems

    NASA Astrophysics Data System (ADS)

    Guo, Xiao-Kan

    2016-06-01

    In this paper, we first generalize the previous results that relate 1- and 2-qubit geometries to complex and quaternionic Möbius transformations respectively, to the case of 3-qubit states under octonionic Möbius transformations. This completes the correspondence between the qubit geometries and the four normed division algebras. Thereby, new systems of symmetric coherent states with 2 and 3 qubits can be constructed by mapping the spin coherent states to their antipodal symmetric ponits on the generalized Bloch spheres via Möbius transformations in corresponding dimensions. Finally, potential applications of the normed division algebras in physics are discussed.

  9. Parisi Formula, Disorder Chaos and Fluctuation for the Ground State Energy in the Spherical Mixed p-Spin Models

    NASA Astrophysics Data System (ADS)

    Chen, Wei-Kuo; Sen, Arnab

    2016-12-01

    We show that the limiting ground state energy of the spherical mixed p-spin model can be identified as the infimum of certain variational problem. This complements the well-known Parisi formula for the limiting free energy in the spherical model. As an application, we obtain explicit formulas for the limiting ground state energy in the replica symmetry, one level of replica symmetry breaking and full replica symmetry breaking phases at zero temperature. In addition, our approach leads to new results on disorder chaos in spherical mixed even p-spin models. In particular, we prove that when there is no external field, the location of the ground state energy is chaotic under small perturbations of the disorder. We also establish that in the spherical mixed even p-spin model, the ground state energy superconcentrates in the absence of external field, while it obeys a central limit theorem if the external field is present.

  10. Application of Replica Technique and SEM in Accuracy Measurement of Ceramic Crowns

    NASA Astrophysics Data System (ADS)

    Trifkovic, B.; Budak, I.; Todorovic, A.; Hodolic, J.; Puskar, T.; Jevremovic, D.; Vukelic, D.

    2012-01-01

    The paper presents a comparative study of the measuring values of the marginal gap related to the ceramic crowns made by dental CAD/CAM system using the replica technique and SEM. The study was conducted using three experimental groups, which consisted of ceramic crowns manufactured by the Cerec CAD/CAM system. The scanning procedure was carried out using three specialized dental 3D digitization systems from the Cerec family - two types of extraoral optical scanning systems and an intraoral optical scanner. Measurements of the marginal gap were carried out using the replica technique and SEM. The comparison of aggregate values of the marginal gap using the replica technique showed a statistically significant difference between the systems. The measured values of marginal gaps of ceramic crowns using the replica technique were significantly lower compared to those measured by SEM. The results indicate that the choice of technique for measuring the accuracy of ceramic crowns influences the final results of investigation.

  11. Accelerating the Convergence of Replica Exchange Simulations Using Gibbs Sampling and Adaptive Temperature Sets

    DOE PAGES

    Vogel, Thomas; Perez, Danny

    2015-08-28

    We recently introduced a novel replica-exchange scheme in which an individual replica can sample from states encountered by other replicas at any previous time by way of a global configuration database, enabling the fast propagation of relevant states through the whole ensemble of replicas. This mechanism depends on the knowledge of global thermodynamic functions which are measured during the simulation and not coupled to the heat bath temperatures driving the individual simulations. Therefore, this setup also allows for a continuous adaptation of the temperature set. In this paper, we will review the new scheme and demonstrate its capability. The methodmore » is particularly useful for the fast and reliable estimation of the microcanonical temperature T (U) or, equivalently, of the density of states g(U) over a wide range of energies.« less

  12. Accelerating the Convergence of Replica Exchange Simulations Using Gibbs Sampling and Adaptive Temperature Sets

    SciTech Connect

    Vogel, Thomas; Perez, Danny

    2015-08-28

    We recently introduced a novel replica-exchange scheme in which an individual replica can sample from states encountered by other replicas at any previous time by way of a global configuration database, enabling the fast propagation of relevant states through the whole ensemble of replicas. This mechanism depends on the knowledge of global thermodynamic functions which are measured during the simulation and not coupled to the heat bath temperatures driving the individual simulations. Therefore, this setup also allows for a continuous adaptation of the temperature set. In this paper, we will review the new scheme and demonstrate its capability. The method is particularly useful for the fast and reliable estimation of the microcanonical temperature T (U) or, equivalently, of the density of states g(U) over a wide range of energies.

  13. Optimal symmetric flight studies

    NASA Technical Reports Server (NTRS)

    Weston, A. R.; Menon, P. K. A.; Bilimoria, K. D.; Cliff, E. M.; Kelley, H. J.

    1985-01-01

    Several topics in optimal symmetric flight of airbreathing vehicles are examined. In one study, an approximation scheme designed for onboard real-time energy management of climb-dash is developed and calculations for a high-performance aircraft presented. In another, a vehicle model intermediate in complexity between energy and point-mass models is explored and some quirks in optimal flight characteristics peculiar to the model uncovered. In yet another study, energy-modelling procedures are re-examined with a view to stretching the range of validity of zeroth-order approximation by special choice of state variables. In a final study, time-fuel tradeoffs in cruise-dash are examined for the consequences of nonconvexities appearing in the classical steady cruise-dash model. Two appendices provide retrospective looks at two early publications on energy modelling and related optimal control theory.

  14. Classical mutual information in mean-field spin glass models

    NASA Astrophysics Data System (ADS)

    Alba, Vincenzo; Inglis, Stephen; Pollet, Lode

    2016-03-01

    We investigate the classical Rényi entropy Sn and the associated mutual information In in the Sherrington-Kirkpatrick (S-K) model, which is the paradigm model of mean-field spin glasses. Using classical Monte Carlo simulations and analytical tools we investigate the S-K model in the n -sheet booklet. This is achieved by gluing together n independent copies of the model, and it is the main ingredient for constructing the Rényi entanglement-related quantities. We find a glassy phase at low temperatures, whereas at high temperatures the model exhibits paramagnetic behavior, consistent with the regular S-K model. The temperature of the paramagnetic-glassy transition depends nontrivially on the geometry of the booklet. At high temperatures we provide the exact solution of the model by exploiting the replica symmetry. This is the permutation symmetry among the fictitious replicas that are used to perform disorder averages (via the replica trick). In the glassy phase the replica symmetry has to be broken. Using a generalization of the Parisi solution, we provide analytical results for Sn and In and for standard thermodynamic quantities. Both Sn and In exhibit a volume law in the whole phase diagram. We characterize the behavior of the corresponding densities, Sn/N and In/N , in the thermodynamic limit. Interestingly, at the critical point the mutual information does not exhibit any crossing for different system sizes, in contrast with local spin models.

  15. Gold replica of olive branch left on moons surface by Apollo 11

    NASA Technical Reports Server (NTRS)

    1969-01-01

    A gold replica of an olive branch, the traditional symbol of peace, which was left on the Moon's surface by the Apollo 11 crew members. Astronaut Neil A. Armstrong, commander, was in charge of placing the replica (less than half a foot in length) on the Moon. The gesture represents a fresh wish for peace for all mankind. astronauts will be released from quarantine on August 11, 1969. Donald K. Slayton (right), MSC Director of Flight Crew Operations; and Lloyd Reeder, training coordinator.

  16. Design of replica bit line control circuit to optimize power for SRAM

    NASA Astrophysics Data System (ADS)

    Pengjun, Wang; Keji, Zhou; Huihong, Zhang; Daohui, Gong

    2016-12-01

    A design of a replica bit line control circuit to optimize power for SRAM is proposed. The proposed design overcomes the limitations of the traditional replica bit line control circuit, which cannot shut off the word line in time. In the novel design, the delay of word line enable and disable paths are balanced. Thus, the word line can be opened and shut off in time. Moreover, the chip select signal is decomposed, which prevents feedback oscillations caused by the replica bit line and the replica word line. As a result, the switch power caused by unnecessary discharging of the bit line is reduced. A 2-kb SRAM is fully custom designed in an SMIC 65-nm CMOS process. The traditional replica bit line control circuit and the new replica bit line control circuit are used in the designed SRAM, and their performances are compared with each other. The experimental results show that at a supply voltage of 1.2 V, the switch power consumption of the memory array can be reduced by 53.7%. Project supported by the Zhejiang Provincial Natural Science Foundation of China (No. LQ14F040001), the National Natural Science Foundation of China (Nos. 61274132, 61234002, 61474068), and the K. C. Wong Magna Fund in Ningbo University.

  17. Conformational sampling enhancement of replica exchange molecular dynamics simulations using swarm particle intelligence

    NASA Astrophysics Data System (ADS)

    Kamberaj, Hiqmet

    2015-09-01

    In this paper, we present a new method based on swarm particle social intelligence for use in replica exchange molecular dynamics simulations. In this method, the replicas (representing the different system configurations) are allowed communicating with each other through the individual and social knowledge, in additional to considering them as a collection of real particles interacting through the Newtonian forces. The new method is based on the modification of the equations of motion in such way that the replicas are driven towards the global energy minimum. The method was tested for the Lennard-Jones clusters of N = 4, 5, and 6 atoms. Our results showed that the new method is more efficient than the conventional replica exchange method under the same practical conditions. In particular, the new method performed better on optimizing the distribution of the replicas among the thermostats with time and, in addition, ergodic convergence is observed to be faster. We also introduce a weighted histogram analysis method allowing analyzing the data from simulations by combining data from all of the replicas and rigorously removing the inserted bias.

  18. Conformational sampling enhancement of replica exchange molecular dynamics simulations using swarm particle intelligence

    SciTech Connect

    Kamberaj, Hiqmet

    2015-09-28

    In this paper, we present a new method based on swarm particle social intelligence for use in replica exchange molecular dynamics simulations. In this method, the replicas (representing the different system configurations) are allowed communicating with each other through the individual and social knowledge, in additional to considering them as a collection of real particles interacting through the Newtonian forces. The new method is based on the modification of the equations of motion in such way that the replicas are driven towards the global energy minimum. The method was tested for the Lennard-Jones clusters of N = 4,  5, and 6 atoms. Our results showed that the new method is more efficient than the conventional replica exchange method under the same practical conditions. In particular, the new method performed better on optimizing the distribution of the replicas among the thermostats with time and, in addition, ergodic convergence is observed to be faster. We also introduce a weighted histogram analysis method allowing analyzing the data from simulations by combining data from all of the replicas and rigorously removing the inserted bias.

  19. Enhanced Conformational Sampling of N-glycans in Solution with Replica State Exchange Metadynamics.

    PubMed

    Galvelis, Raimondas; Re, Suyong; Sugita, Yuji

    2017-04-11

    Molecular dynamics (MD) simulation of a N-glycan in solution is challenging due to high- energy barriers of the glycosidic linkages, functional group rotational barriers, and numerous intra- and inter-molecular hydrogen bonds. In this study, we apply different enhanced conformational sampling approaches, namely, metadynamics (MTD), the replica-exchange MD (REMD), and the recently proposed replica state exchange MTD (RSE-MTD), to a N-glycan in solution and compare their conformational sampling efficiencies. MTD helps to cross the high- energy barrier along the ω angle by utilizing a bias potential, but it cannot enhance sampling of the other degrees of freedom. REMD ensures moderate-energy barrier crossings by exchanging temperatures between replicas, while it hardly crosses the barriers along ω. In contrast, RSE- MTD succeeds to cross the high-energy barrier along ω as well as to enhance sampling of the other degrees of freedom. We tested two RSE-MTD schemes: in one scheme, 64 replicas were simulated with the bias potential along ω at different temperatures, while simulations of 4 replicas were performed with the bias potentials for different CVs at 300 K. In both schemes, one unbiased replica at 300 K was included to compute conformational properties of the glycan. The conformational sampling of the former is better than the other enhanced sampling methods, while the latter shows reasonable performance without spending large computational resources. The latter scheme is likely to be useful when a N-glycan-attached protein is simulated.

  20. {PT}-symmetric optical superlattices

    NASA Astrophysics Data System (ADS)

    Longhi, Stefano

    2014-04-01

    The spectral and localization properties of {PT}-symmetric optical superlattices, either infinitely extended or truncated at one side, are theoretically investigated, and the criteria that ensure a real energy spectrum are derived. The analysis is applied to the case of superlattices describing a complex ( {PT}-symmetric) extension of the Harper Hamiltonian in the rational case.

  1. Representation of Fuzzy Symmetric Relations

    DTIC Science & Technology

    1986-03-19

    Std Z39-18 REPRESENTATION OF FUZZY SYMMETRIC RELATIONS L. Valverde Dept. de Matematiques i Estadistica Universitat Politecnica de Catalunya Avda...REPRESENTATION OF FUZZY SYMMETRIC RELATIONS L. "Valverde* Dept. de Matematiques i Estadistica Universitat Politecnica de Catalunya Avda. Diagonal, 649

  2. Tensor species and symmetric functions.

    PubMed Central

    Méndez, M

    1991-01-01

    An equivariant representation of the symmetric group Sn (equivariant representation from here on) is defined as a particular type of tensor species. For any tensor species R the characteristic generating function of R is defined in a way that generalizes the Frobenius characters of representations of the symmetric groups. If R is an equivariant representation, then the characteristic is a homogeneous symmetric function. The combinatorial operations on equivariant representations correspond to formal operations on the respective characteristic functions. In particular, substitution of equivariant representations corresponds to plethysm of symmetric functions. Equivariant representations are constructed that have as characteristic the elementary, complete, and Schur functions. Bijective proofs are given for the formulas that connect them with the monomial symmetric functions. PMID:11607233

  3. Spin-tunnel investigation of a 1/25-scale model of the General Dynamics F-16XL airplane

    NASA Technical Reports Server (NTRS)

    Whipple, R. D.; White, W. L.

    1984-01-01

    A spin-tunnel investigation of the spin and recovery characteristics of a 1/25-scale model to the General Dynamics F-16XL aircraft was conducted in the Langley Spin Tunnel. Tests included erect and inverted spins at various symmetric and asymmetric loading conditions. The required size of an emergency spin-recovery parachute was determined.

  4. An ingenious replica templated from the light trapping structure in butterfly wing scales

    NASA Astrophysics Data System (ADS)

    Han, Zhiwu; Niu, Shichao; Yang, Meng; Zhang, Junqiu; Yin, Wei; Ren, Luquan

    2013-08-01

    Although the physical mechanism of light trapping property of butterfly wings is well understood, it remains a challenge to create artificial replicas of these natural functional structures. Here, we synthesized a SiO2 inverse replica of a light trapping structure in butterfly wing scales using a method combining a sol-gel process and subsequent selective etching. First, the reflectance spectrum was taken to measure the reflectivity. Then, FESEM and TEM were used to observe the coupling structure of scales and the replicas. Afterwards, assisted by SEM and TEM data, 3D optimized models of the structures and fabrication process were generated by software. Finally, the parametric comparisons of the morphologies and structures between the original template and the inverse SiO2 replica were carefully conducted, and it was found that the original structures of bio-templates were well inherited by the structures of the inverse replica. This work would open up possibilities for an extensive study of mimicking novel bio-inspired functional materials, and the reported biomimetic technique confirms the feasibility of extending the functional structures in butterfly wings to particular optical devices in the field of space exploration, space equipment, photoelectrical devices and photo-induced sensors.Although the physical mechanism of light trapping property of butterfly wings is well understood, it remains a challenge to create artificial replicas of these natural functional structures. Here, we synthesized a SiO2 inverse replica of a light trapping structure in butterfly wing scales using a method combining a sol-gel process and subsequent selective etching. First, the reflectance spectrum was taken to measure the reflectivity. Then, FESEM and TEM were used to observe the coupling structure of scales and the replicas. Afterwards, assisted by SEM and TEM data, 3D optimized models of the structures and fabrication process were generated by software. Finally, the parametric

  5. Conformally symmetric traversable wormholes

    SciTech Connect

    Boehmer, Christian G.; Harko, Tiberiu; Lobo, Francisco S. N.

    2007-10-15

    Exact solutions of traversable wormholes are found under the assumption of spherical symmetry and the existence of a nonstatic conformal symmetry, which presents a more systematic approach in searching for exact wormhole solutions. In this work, a wide variety of solutions are deduced by considering choices for the form function, a specific linear equation of state relating the energy density and the pressure anisotropy, and various phantom wormhole geometries are explored. A large class of solutions impose that the spatial distribution of the exotic matter is restricted to the throat neighborhood, with a cutoff of the stress-energy tensor at a finite junction interface, although asymptotically flat exact solutions are also found. Using the 'volume integral quantifier', it is found that the conformally symmetric phantom wormhole geometries may, in principle, be constructed by infinitesimally small amounts of averaged null energy condition violating matter. Considering the tidal acceleration traversability conditions for the phantom wormhole geometry, specific wormhole dimensions and the traversal velocity are also deduced.

  6. Spin polarization of the split Kondo state.

    PubMed

    von Bergmann, Kirsten; Ternes, Markus; Loth, Sebastian; Lutz, Christopher P; Heinrich, Andreas J

    2015-02-20

    Spin-resolved scanning tunneling microscopy is employed to quantitatively determine the spin polarization of the magnetic field-split Kondo state. Tunneling conductance spectra of a Kondo-screened magnetic atom are evaluated within a simple model taking into account inelastic tunneling due to spin excitations and two Kondo peaks positioned symmetrically around the Fermi energy. We fit the spin state of the Kondo-screened atom with a spin Hamiltonian independent of the Kondo effect and account for Zeeman splitting of the Kondo peak in the magnetic field. We find that the width and the height of the Kondo peaks scales with the Zeeman energy. Our observations are consistent with full spin polarization of the Kondo peaks, i.e., a majority spin peak below the Fermi energy and a minority spin peak above.

  7. A Spin Glass Model with Vibrations of Crystal Lattices

    NASA Astrophysics Data System (ADS)

    Shang, Yu-Min; Cheng, Li-Min; Yao, Kai-Lun

    2005-01-01

    With the help of the replica method and imaginary-time functional-integrate technique, the spin glass model with the vibrations of crystal lattices is investigated. In the limit of the replica symmetry and the imaginary-time static approximation, the magnetic and thermodynamic quantities have been obtained. By the numerical calculations, we found that the magnetization of the system has the typical spin-glass behaviour. A peak is found in the susceptibility-temperature curve and is shifted to lower temperature with increasing applied field. Due to the lattice contribution, the specific heat increases strongly at high temperature. Due to the magnetic contribution, the anomaly in the specific heat-temperature curve forms a λ-type peak, which agrees with the observation of Rojo et al. [Phys. Rev. B 66 (2002) 094406].

  8. Some peculiarities in the behavior of non-Ising spin glasses

    NASA Astrophysics Data System (ADS)

    Tareyeva, E. E.; Schelkacheva, T. I.; Chtchelkatchev, N. M.

    2015-03-01

    This paper is a review. We outline the main directions in the modern theory of spin glasses. The main content is based on our recent papers, devoted to studying replica symmetry breaking in non-Ising spin glasses. Studying a series of generalized models showed a certain uniformity of the behavior of these generalized spin glasses. Essentially, we observe a significant difference between their behavior and the behavior of the known systems with random couplings of Ising spins—the Sherrington-Kirkpatrick model and the corresponding p-spin model. We find the bifurcation point for the solution with the first replica symmetry breaking, study the form and stability of the solution near the bifurcation point, and show in which cases the transition to the glass state occurs continuously and in which cases, with a jump of the order parameters.

  9. Spin-orbit coupling and spin relaxation in phosphorene: Intrinsic versus extrinsic effects

    NASA Astrophysics Data System (ADS)

    Kurpas, Marcin; Gmitra, Martin; Fabian, Jaroslav

    2016-10-01

    First-principles calculations of the essential spin-orbit and spin relaxation properties of phosphorene are performed. Intrinsic spin-orbit coupling induces spin mixing with the probability of b2≈10-4 , exhibiting a large anisotropy, following the anisotropic crystalline structure of phosphorene. For realistic values of the momentum relaxation times, the intrinsic (Elliott-Yafet) spin relaxation times are hundreds of picoseconds to nanoseconds. Applying a transverse electric field (simulating gating and substrates) generates extrinsic C2 v symmetric spin-orbit fields in phosphorene, which activate the D'yakonov-Perel' mechanism for spin relaxation. It is shown that this extrinsic spin relaxation also has a strong anisotropy and can dominate over the Elliott-Yafet one for strong enough electric fields. Phosphorene on substrates can thus exhibit an interesting interplay of both spin-relaxation mechanisms, whose individual roles could be deciphered using our results.

  10. A Distance-Aware Replica Adaptive Data Gathering Protocol for Delay Tolerant Mobile Sensor Networks

    PubMed Central

    Feng, Yong; Gong, Haigang; Fan, Mingyu; Liu, Ming; Wang, Xiaomin

    2011-01-01

    In Delay Tolerant Mobile Sensor Networks (DTMSNs) that have the inherent features of intermitted connectivity and frequently changing network topology it is reasonable to utilize multi-replica schemes to improve the data gathering performance. However, most existing multi-replica approaches inject a large amount of message copies into the network to increase the probability of message delivery, which may drain each mobile node’s limited battery supply faster and result in too much contention for the restricted resources of the DTMSN, so a proper data gathering scheme needs a trade off between the number of replica messages and network performance. In this paper, we propose a new data gathering protocol called DRADG (for Distance-aware Replica Adaptive Data Gathering protocol), which economizes network resource consumption through making use of a self-adapting algorithm to cut down the number of redundant replicas of messages, and achieves a good network performance by leveraging the delivery probabilities of the mobile sensors as main routing metrics. Simulation results have shown that the proposed DRADG protocol achieves comparable or higher message delivery ratios at the cost of the much lower transmission overhead than several current DTMSN data gathering schemes. PMID:22163839

  11. Assessment of hydro/oleophobicity for shark skin replica with riblets.

    PubMed

    Kim, Tae Wan

    2014-10-01

    The shark skin has a unique skin structure which enables the shark to swim faster and more efficiently due to an intriguing three-dimensional rib pattern. Shark skin has also known as having functional performances such as self cleaning and anti-fouling as well as excellent drag reduction due to a hierarchical structure built up by micro grooves and nano-long chain mucus drag reduction interface around the shark body. In this study, the wetting properties for the biomimetic surfaces that replicate shark skin are assessed. First of all, the shark skin replicas are obtained using the micro molding technique directly from a shark skin template. The quantitative replication precision of the shark skin replicas is evaluated comparing with the geometry of shark skin template using 3D and 2D surface profiles are measured. Then contact angles in the conditions of solid-air-water, solid-air-oil and solid-water-oil interfaces are evaluated for shark skin replicas. The effect of Teflon coating on the wetting properties of shark skin replicas is also observed. The results show the shark skin replica by the micro molding technique gives better effect on the wetting performance, and the micro riblets on shark skin improve the wettability feature.

  12. Effects of replica running shoes upon external forces and muscle activity during running.

    PubMed

    Azevedo, Ana Paula Da Silva; Brandina, Kátia; Bianco, Roberto; Oliveira, Vitor Henrique De; Souza, Juliana Roque De; Mezencio, Bruno; Amadio, Alberto Carlos; Serrão, Júlio Cerca

    2012-05-01

    Twelve participants ran (9 km · h(-1)) to test two types of running shoes: replica and original shoes. Ground reaction force, plantar pressure and electromyographic activity were recorded. The shoes were tested randomly and on different days. Comparisons between the two experimental conditions were made by analysis of variance (ANOVA) test (P ≤ 0.05). The time to first peak, loading rate of the first peak and impulse of the first 75 ms of stance were significantly different between the shoes (P ≤ 0.05), revealing an increase of impact forces for the replica shoes. The peak plantar pressure values were significantly higher (P ≤ 0.05) when wearing replica shoes. During running, the contact area was significantly smaller (P ≤ 0.05) for the replica shoe. The electromyographic activity of the analysed muscles did not show changes between the two shoes in running. These findings suggest that the use of replica running shoes can increase the external load applied to the human body, but may not change the muscle activity pattern during locomotion. This new mechanical situation may increase the risk of injuries in these movements.

  13. DNA unzipping phase diagram calculated via replica theory

    NASA Astrophysics Data System (ADS)

    Roland, C. Brian; Hatch, Kristi Adamson; Prentiss, Mara; Shakhnovich, Eugene I.

    2009-05-01

    We show how single-molecule unzipping experiments can provide strong evidence that the zero-force melting transition of long molecules of natural dsDNA should be classified as a phase transition of the higher-order type (continuous). Toward this end, we study a statistical-mechanics model for the fluctuating structure of a long molecule of dsDNA, and compute the equilibrium phase diagram for the experiment in which the molecule is unzipped under applied force. We consider a perfect-matching dsDNA model, in which the loops are volume-excluding chains with arbitrary loop exponent c . We include stacking interactions, hydrogen bonds, and main-chain entropy. We include sequence heterogeneity at the level of random sequences; in particular, there is no correlation in the base-pairing (bp) energy from one sequence position to the next. We present heuristic arguments to demonstrate that the low-temperature macrostate does not exhibit degenerate ergodicity breaking. We use this claim to understand the results of our replica-theoretic calculation of the equilibrium properties of the system. As a function of temperature, we obtain the minimal force at which the molecule separates completely. This critical-force curve is a line in the temperature-force phase diagram that marks the regions where the molecule exists primarily as a double helix versus the region where the molecule exists as two separate strands. We compare our random-sequence model to magnetic tweezer experiments performed on the 48502 bp genome of bacteriophage λ . We find good agreement with the experimental data, which is restricted to temperatures between 24 and 50°C . At higher temperatures, the critical-force curve of our random-sequence model is very different for that of the homogeneous-sequence version of our model. For both sequence models, the critical force falls to zero at the melting temperature Tc like |T-Tc|α . For the homogeneous-sequence model, α=1/2 almost exactly, while for the random

  14. The cumulative overlap distribution function in spin glasses: mean field vs. three dimensions

    NASA Astrophysics Data System (ADS)

    Yllanes, David; Billoire, Alain; Maiorano, Andrea; Marinari, Enzo; Martin-Mayor, Victor

    2015-03-01

    We use a sample-dependent analysis, based on medians and quantiles, to analyze the behavior of the overlap probability distribution in spin glasses. Using analytical and numerical mean-field results for the Sherrington-Kirkpatrick model, as well as data from toy models, we show that this approach is an effective tool to distinguish the low-temperature behavior of replica symmmetry breaking systems from that expected in the droplet picture. An application of the method to the three-dimensional Edwards-Anderson models shows agreement with the replica symmetry breaking predictions. Supported by ERC Grant No. 247328 and from MINECO (Spain), Contract No. FIS2012-35719-C02.

  15. Three-dimensional replica of corrected transposition of the great arteries for successful heart transplantation.

    PubMed

    Fujita, Tomoyuki; Fukushima, Satsuki; Fukushima, Norihide; Shiraishi, Isao; Kobayashi, Junjiro

    2017-03-30

    A 59-year-old man who had been previously diagnosed with congenitally corrected transposition of the great arteries at the age of 35 years became a candidate for heart transplantation. At the age of 57 years, he was referred to our hospital and underwent implantation of a left ventricular assist device (EVAHEART; Sun Medical Technology Research Corp., Suwa City, Japan) because of worsening ventricular function and was listed as a heart transplant candidate. A donor appeared when the patient was 59 years. A three-dimensional replica was made using data from computed tomography angiography. The three-dimensional replica was made of soft rubber (crossMedical, Inc., Kyoto, Japan), which enabled the surgeons to understand the relationship between the great arteries and chambers. After repeated dry laboratories using this replica, the patient underwent successful heart transplantation.

  16. Immunolocalization of multiple membrane proteins on a carbon replica with STEM and EDX.

    PubMed

    Loukanov, Alexandre; Kamasawa, Naomi; Danev, Radostin; Shigemoto, Ryuichi; Nagayama, Kuniaki

    2010-03-01

    We present a method for immunolabeling of multiple species of membrane proteins with high spatial resolution. It allows differentiation of equally sized very small markers with different chemical compositions, which leads to high labeling efficiency and reduces steric hindrance of closely spaced immunolabeled biomolecules. Markers such as CdSe/ZnS semiconductor quantum dots and colloidal gold particles are distinguished by differential contrast in high-angle annular detector dark-field STEM mode or by EDX microanalysis of their elemental contents. This method was tested by observation of labeled AMPA- and NMDA-type glutamate receptors on sodium-dodecyl-sulfate-digested replica prepared from rat hippocampus. To improve particle visibility and detectability, the replica films were made exclusively with carbon to avoid the high background of conventional platinum/carbon replica. Extension of the method is suggested by detection of 1.4 nm nanogold particles and its potential application in the biological imaging research.

  17. Morphosynthesis: high fidelity inorganic replica of the fibrous network of loofa sponge (Luffa cylindrica).

    PubMed

    Mazali, Italo O; Alves, Oswaldo L

    2005-03-01

    High fidelity calcium carbonate and hydroxyapatite (bio) inorganic replicas of the fibrous network of the dried fruit of Luffa cylindrica are described, utilizing a facile synthetic route. The loofa sponge is a highly complex macroscopic architectural template, an inexpensive and sustainable resource. In the context of the morphosynthesis, the capability of replication of the loofa sponge opens the possibility of the use of biodiversity in obtaining new materials. We would like to emphasize that the template proposed in this paper, makes possible the preparation of inorganic replicas with a very desirable size, on the centimeter scale. This fact is innovative with respect to inorganic replicas described in the literature, which predominate at the micrometric scale, limited to the original size of the template.

  18. Electronically transparent graphene replicas of diatoms: a new technique for the investigation of frustule morphology

    PubMed Central

    Pan, Zhengwei; Lerch, Sarah J. L.; Xu, Liang; Li, Xufan; Chuang, Yen-Jun; Howe, Jane Y.; Mahurin, Shannon M.; Dai, Sheng; Hildebrand, Mark

    2014-01-01

    The morphogenesis of the silica cell walls (called frustules) of unicellular algae known as diatoms is one of the most intriguing mysteries of the diatoms. To study frustule morphogenesis, optical, electron and atomic force microscopy has been extensively used to reveal the frustule morphology. However, since silica frustules are opaque, past observations were limited to outer and fracture surfaces, restricting observations of interior structures. Here we show that opaque silica frustules can be converted into electronically transparent graphene replicas, fabricated using chemical vapor deposition of methane. Chemical vapor deposition creates a continuous graphene coating preserving the frustule's shape and fine, complicated internal features. Subsequent dissolution of the silica with hydrofluoric acid yields a free-standing replica of the internal and external native frustule morphologies. Electron microscopy renders these graphene replicas highly transparent, revealing previously unobserved, complex, three-dimensional, interior frustule structures, which lend new insights into the investigation of frustule morphogenesis. PMID:25135739

  19. Screening for antimicrobial resistance in normal bacterial flora of the skin using the replica plating method.

    PubMed

    Paavilainen, T; Osterblad, M; Leistevuo, T; Huovinen, P; Kotilainen, P

    2000-12-01

    The replica plating method was evaluated for detection of the antimicrobial resistance of normal bacterial flora of the skin and was compared with the results of a ten-colony method. If > or = 10% of the colonies from the master plate grew on a plate containing an antibiotic, the sensitivity of replica plating was comparable to that of a ten-colony method for samples containing resistant bacteria. However, this method classified significantly more samples as resistant to all eight antibiotics tested if the detection breakpoint was lowered to > or = 1% of the original colonies. Replica plating is an effective and practical tool for screening skin flora for resistance, also in samples with a low proportion of resistant strains.

  20. Acceleration of Lateral Equilibration in Mixed Lipid Bilayers Using Replica Exchange with Solute Tempering.

    PubMed

    Huang, Kun; García, Angel E

    2014-10-14

    The lateral heterogeneity of cellular membranes plays an important role in many biological functions such as signaling and regulating membrane proteins. This heterogeneity can result from preferential interactions between membrane components or interactions with membrane proteins. One major difficulty in molecular dynamics simulations aimed at studying the membrane heterogeneity is that lipids diffuse slowly and collectively in bilayers, and therefore, it is difficult to reach equilibrium in lateral organization in bilayer mixtures. Here, we propose the use of the replica exchange with solute tempering (REST) approach to accelerate lateral relaxation in heterogeneous bilayers. REST is based on the replica exchange method but tempers only the solute, leaving the temperature of the solvent fixed. Since the number of replicas in REST scales approximately only with the degrees of freedom in the solute, REST enables us to enhance the configuration sampling of lipid bilayers with fewer replicas, in comparison with the temperature replica exchange molecular dynamics simulation (T-REMD) where the number of replicas scales with the degrees of freedom of the entire system. We apply the REST method to a cholesterol and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) bilayer mixture and find that the lateral distribution functions of all molecular pair types converge much faster than in the standard MD simulation. The relative diffusion rate between molecules in REST is, on average, an order of magnitude faster than in the standard MD simulation. Although REST was initially proposed to study protein folding and its efficiency in protein folding is still under debate, we find a unique application of REST to accelerate lateral equilibration in mixed lipid membranes and suggest a promising way to probe membrane lateral heterogeneity through molecular dynamics simulation.

  1. Optimal cloning of qubits from replicas of a qubit and its orthogonal states

    SciTech Connect

    Kato, Go

    2010-09-15

    We consider the situation where s replicas of a qubit with an unknown state and its orthogonal k replicas are given as an input, and we try to make c clones of the qubit with the unknown state. As a function of s, k, and c, we obtain the optimal fidelity between the qubit with an unknown state and the clone by explicitly giving a completely positive trace-preserving (CPTP) map that represents a cloning machine. We discuss dependency of the fidelity on the values of the parameters s, k, and c.

  2. Quantum Spin Liquids and Fractionalization

    NASA Astrophysics Data System (ADS)

    Misguich, Grégoire

    This chapter discusses quantum antiferromagnets which do not break any symmetries at zero temperature - also called "spin liquids" - and focuses on lattice spin models with Heisenberg-like (i.e. SU(2)-symmetric) interactions in dimensions larger than one. We begin by discussing the Lieb-Schultz-Mattis theorem and its recent extension to D > 1 by Hastings (2004), which establishes an important distinction between spin liquids with an integer and with a half-integer spin per unit cell. Spin liquids of the first kind, "band insulators", can often be understood by elementary means, whereas the latter, "Mott insulators", are more complex (featuring "topological order") and support spin-1/2 excitations (spinons). The fermionic formalism (Affleck and Marston, 1988) is described and the effect of fluctuations about mean-field solutions, such as the possible creation of instabilities, is discussed in a qualitative way. In particular, we explain the emergence of gauge modes and their relation to fractionalization. The concept of the projective symmetry group (X.-G. Wen, 2002) is introduced, with the aid of some examples. Finally, we present the phenomenology of (gapped) short-ranged resonating-valence-bond spin liquids, and make contact with the fermionic approach by discussing their description in terms of a fluctuating Z 2 gauge field. Some recent references are given to other types of spin liquid, including gapless ones.

  3. Quantumness of spin-1 states

    NASA Astrophysics Data System (ADS)

    Bohnet-Waldraff, Fabian; Braun, D.; Giraud, O.

    2016-01-01

    We investigate quantumness of spin-1 states, defined as the Hilbert-Schmidt distance to the convex hull of spin coherent states. We derive its analytic expression in the case of pure states as a function of the smallest eigenvalue of the Bloch matrix and give explicitly the closest classical state for an arbitrary pure state. Numerical evidence is given that the exact formula for pure states provides an upper bound on the quantumness of mixed states. Due to the connection between quantumness and entanglement we obtain new insights into the geometry of symmetric entangled states.

  4. Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

    NASA Astrophysics Data System (ADS)

    Valentim, Alexandra; Rocha, Julio C. S.; Tsai, Shan-Ho; Li, Ying Wai; Eisenbach, Markus; Fiore, Carlos E.; Landau, David P.

    2015-09-01

    We considered a higher-dimensional extension for the replica-exchange Wang- Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, in which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this difficulty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.

  5. Replica plating method for estimating phenanthrene-utilizing and phenanthrene-cometabolizing microorganisms

    SciTech Connect

    Shiaris, M.P.; Cooney, J.J.

    1983-02-01

    A replica plating method was developed for detecting and enumerating phenanthrene-degrading microorganisms. The method is designed to discriminate between aquatic organisms that utilize phenanthrene as the sole carbon and energy source and organisms that cometabolize phenanthrene. The method was used to demonstrate that phenanthrene utilizers and phenanthrene cometabolizers coexist in estuarine sediments.

  6. Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

    SciTech Connect

    Valentim, Alexandra; Rocha, Julio C. S.; Tsai, Shan-Ho; Li, Ying Wai; Eisenbach, Markus; Fiore, Carlos E; Landau, David P

    2015-01-01

    We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, in which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this diculty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.

  7. Comparison of Replica-Permutation Molecular Dynamics Simulations with and without Detailed Balance Condition

    NASA Astrophysics Data System (ADS)

    Nishizawa, Hiroaki; Okumura, Hisashi

    2015-07-01

    In the replica-permutation method (RPM), temperatures are not only exchanged between two replicas but also permutated among more than two replicas using the Suwa-Todo algorithm, which minimizes the rejection ratio in Monte Carlo trials. We verify the sampling efficiency of RPM that adopts Suwa-Todo algorithms with and without a detailed balance condition (DBC). To compare these techniques, molecular dynamics simulations of RPM with and without the DBC and the replica-exchange method (REM) were carried out for a chignolin molecule in explicit water. Although no difference in the numbers of folding and unfolding events was observed, the numbers of tunneling events of the two RPM simulations were larger than that of REM. This indicates that the minimization of the rejection ratio by the Suwa-Todo algorithm in RPM realizes efficient sampling. Furthermore, the sampling efficiency was slightly higher in the RPM without the DBC than in that with the DBC. The reason for this difference is also discussed.

  8. Accelerated flexible protein-ligand docking using Hamiltonian replica exchange with a repulsive biasing potential

    PubMed Central

    Ostermeir, Katja; Zacharias, Martin

    2017-01-01

    A molecular dynamics replica exchange based method has been developed that allows rapid identification of putative ligand binding sites on the surface of biomolecules. The approach employs a set of ambiguity restraints in replica simulations between receptor and ligand that allow close contacts in the reference replica but promotes transient dissociation in higher replicas. This avoids long-lived trapping of the ligand or partner proteins at nonspecific, sticky, sites on the receptor molecule and results in accelerated exploration of the possible binding regions. In contrast to common docking methods that require knowledge of the binding site, exclude solvent and often keep parts of receptor and ligand rigid the approach allows for full flexibility of binding partners. Application to peptide-protein, protein-protein and a drug-receptor system indicate rapid sampling of near-native binding regions even in case of starting far away from the native binding site outperforming continuous MD simulations. An application on a DNA minor groove binding ligand in complex with DNA demonstrates that it can also be used in explicit solvent simulations. PMID:28207811

  9. Expanded ensemble and replica exchange methods for simulation of protein-like systems

    NASA Astrophysics Data System (ADS)

    Fenwick, Michael K.; Escobedo, Fernando A.

    2003-12-01

    Extended state methods are powerful tools for studying the conformational equilibria of proteins. This study focuses on three aspects of their implementation. First, existing approaches for determining importance weights (namely, recursion, random walk, and transition probability schemes) are compared in the context of their use with the method of expanded ensembles (EXE). Second, a combined scheme (REXE) involving EXE and replica exchange (REX) updates is developed for simulating a small number of replicas within a much larger macrostate space. Finally, variants of the extended state methods are considered for accelerating folding, either through special-purpose ensembles which target specific force-field parameters, or through biased sampling of extended macrostates that favor structural fluctuations. All methods are applied to a three-dimensional lattice protein model. Overall, it is found that transition probability approaches employing multiple system replicas perform naturally better than methods that intrinsically require macrostate equilibration by a single replica; the transition probability approaches need about an order of magnitude fewer steps to reach the same degree of convergence in the importance weights. The specific REXE protocol implemented is observed to have an efficiency intermediate to that of EXE and REX schemes at high temperatures, but to outperform them at more glassy conditions. Finally, special-purpose and locally enhanced tempering ensembles are shown to promote faster folding than conventional tempering.

  10. Synthesis of a symmetrical dithiirane

    SciTech Connect

    Allakverdiev, M.A.; Farzaliev, V.M.; Mamedov, C.I.

    1986-04-01

    The reaction of p-xylene with epichlorohydrin in the presence of aluminum chloride gave 1,4-dimethyl-2,5-bis(1-chloro-2-hydroxypropyl) benzene, which serves as the starting compound for the synthesis of the corresponding symmetrical dithiirane.

  11. Prior Distributions on Symmetric Groups

    ERIC Educational Resources Information Center

    Gupta, Jayanti; Damien, Paul

    2005-01-01

    Fully and partially ranked data arise in a variety of contexts. From a Bayesian perspective, attention has focused on distance-based models; in particular, the Mallows model and extensions thereof. In this paper, a class of prior distributions, the "Binary Tree," is developed on the symmetric group. The attractive features of the class are: it…

  12. Supercritical Flow Past Symmetrical Airfoils.

    DTIC Science & Technology

    1980-12-01

    about quasi-elliptic airfoil sections. The method was later extended by Boerstoel [1967] to present a catalog of solutions for certain body shapes. Bauer...Lecture Notes in Economics and Mathematical Systems, Springer- Verlag, New York, 1972. Boerstoel , J. W., "A Survey of Symmetrical Transonic Potential

  13. Particle-vortex symmetric liquid

    NASA Astrophysics Data System (ADS)

    Mulligan, Michael

    2017-01-01

    We introduce an effective theory with manifest particle-vortex symmetry for disordered thin films undergoing a magnetic field-tuned superconductor-insulator transition. The theory may enable one to access both the critical properties of the strong-disorder limit, which has recently been confirmed by Breznay et al. [Proc. Natl. Acad. Sci. USA 113, 280 (2016), 10.1073/pnas.1522435113] to exhibit particle-vortex symmetric electrical response, and the nearby metallic phase discovered earlier by Mason and Kapitulnik [Phys. Rev. Lett. 82, 5341 (1999), 10.1103/PhysRevLett.82.5341] in less disordered samples. Within the effective theory, the Cooper-pair and field-induced vortex degrees of freedom are simultaneously incorporated into an electrically neutral Dirac fermion minimally coupled to a (emergent) Chern-Simons gauge field. A derivation of the theory follows upon mapping the superconductor-insulator transition to the integer quantum Hall plateau transition and the subsequent use of Son's particle-hole symmetric composite Fermi liquid. Remarkably, particle-vortex symmetric response does not require the introduction of disorder; rather, it results when the Dirac fermions exhibit vanishing Hall effect. The theory predicts approximately equal (diagonal) thermopower and Nernst signal with a deviation parameterized by the measured electrical Hall response at the symmetric point.

  14. Thermophoresis of Axially Symmetric Bodies

    DTIC Science & Technology

    2007-11-02

    Sweden Abstract. Thermophoresis of axially symmetric bodies is investigated to first order in the Knudsen-mimber, Kn. The study is made in the limit...derived. Asymptotic solutions are studied. INTRODUCTION Thermophoresis as a phenomenon has been known for a long time, and several authors have approached

  15. High spin-filter efficiency and Seebeck effect through spin-crossover iron-benzene complex

    NASA Astrophysics Data System (ADS)

    Yan, Qiang; Zhou, Liping; Cheng, Jue-Fei; Wen, Zhongqian; Han, Qin; Wang, Xue-Feng

    2016-04-01

    Electronic structures and coherent quantum transport properties are explored for spin-crossover molecule iron-benzene Fe(Bz)2 using density functional theory combined with non-equilibrium Green's function. High- and low-spin states are investigated for two different lead-molecule junctions. It is found that the asymmetrical T-shaped contact junction in the high-spin state behaves as an efficient spin filter while it has a smaller conductivity than that in the low-spin state. Large spin Seebeck effect is also observed in asymmetrical T-shaped junction. Spin-polarized properties are absent in the symmetrical H-shaped junction. These findings strongly suggest that both the electronic and contact configurations play significant roles in molecular devices and metal-benzene complexes are promising materials for spintronics and thermo-spintronics.

  16. High spin-filter efficiency and Seebeck effect through spin-crossover iron-benzene complex.

    PubMed

    Yan, Qiang; Zhou, Liping; Cheng, Jue-Fei; Wen, Zhongqian; Han, Qin; Wang, Xue-Feng

    2016-04-21

    Electronic structures and coherent quantum transport properties are explored for spin-crossover molecule iron-benzene Fe(Bz)2 using density functional theory combined with non-equilibrium Green's function. High- and low-spin states are investigated for two different lead-molecule junctions. It is found that the asymmetrical T-shaped contact junction in the high-spin state behaves as an efficient spin filter while it has a smaller conductivity than that in the low-spin state. Large spin Seebeck effect is also observed in asymmetrical T-shaped junction. Spin-polarized properties are absent in the symmetrical H-shaped junction. These findings strongly suggest that both the electronic and contact configurations play significant roles in molecular devices and metal-benzene complexes are promising materials for spintronics and thermo-spintronics.

  17. Bulk matters on symmetric and asymmetric de Sitter thick branes

    SciTech Connect

    Liu, Yu-Xiao; Zhao, Zhen-Hua; Wei, Shao-Wen; Duan, Yi-Shi E-mail: zhaozhenhua@impcas.ac.cn E-mail: ysduan@lzu.edu.cn

    2009-02-15

    An asymmetric thick domain wall solution with de Sitter (dS) expansion in five dimensions can be constructed from a symmetric one by using a same scalar (kink) with different potentials. In this paper, by presenting the mass-independent potentials of Kaluza-Klein (KK) modes in the corresponding Schroedinger equations, we investigate the localization and mass spectra of various bulk matter fields on the symmetric and asymmetric dS thick branes. For spin 0 scalars and spin 1 vectors, the potentials of KK modes in the corresponding Schroedinger equations are the modified Poeschl-Teller potentials, and there exist a mass gap and a series of continuous spectrum. It is shown that the spectrum of scalar KK modes on the symmetric dS brane contains only one bound mode (the massless mode). However, for the asymmetric dS brane with a large asymmetric factor, there are two bound scalar KK modes: a zero mode and a massive mode. For spin 1 vectors, the spectra of KK modes on both dS branes consist of a bound massless mode and a set of continuous ones, i.e., the asymmetric factor does not change the number of the bound vector KK modes. For spin 1/2 fermions, two types of kink-fermion couplings are investigated in detail. For the usual Yukawa coupling {eta}barPsi{phi}{Psi}, there exists no mass gap but a continuous gapless spectrum of KK states. For the scalar-fermion coupling {eta}barPsisin({phi}/{phi}{sub 0})cos{sup -{delta}}({phi}/{phi}{sub 0}){Psi} with a positive coupling constant {eta}, there exist some discrete bound KK modes and a series of continuous ones. The total number of bound states increases with the coupling constant {eta}. For the case of the symmetric dS brane and positive {eta}, there are N{sub L}(N{sub L} {>=} 1) left chiral fermion bound states (including zero mode and massive KK modes) and N{sub L}-1 right chiral fermion bound states (including only massive KK modes). For the asymmetric dS brane scenario, the asymmetric factor a reduces the number of the

  18. Collective magnetic excitations of C4-symmetric magnetic states in iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Scherer, Daniel D.; Eremin, Ilya; Andersen, Brian M.

    2016-11-01

    We study the collective magnetic excitations of the recently discovered C4-symmetric spin-density-wave states of iron-based superconductors with particular emphasis on their orbital character based on an itinerant multiorbital approach. This is important since the C4-symmetric spin-density-wave states exist only at moderate interaction strengths where damping effects from a coupling to the continuum of particle-hole excitations strongly modify the shape of the excitation spectra compared to predictions based on a local moment picture. We uncover a distinct orbital polarization inherent to magnetic excitations in C4-symmetric states, which provide a route to identify the different commensurate magnetic states appearing in the continuously updated phase diagram of the iron-pnictide family.

  19. Implementing of Quantum Cloning with Spatially Separated Quantum Dot Spins

    NASA Astrophysics Data System (ADS)

    Wen, Jing-Ji; Yeon, Kyu-Hwang; Du, Xin; Lv, Jia; Wang, Ming; Wang, Hong-Fu; Zhang, Shou

    2016-07-01

    We propose some schemes for implementing optimal symmetric (asymmetric) 1 → 2 universal quantum cloning, optimal symmetric (asymmetric) 1 → 2 phase-covariant cloning, optimal symmetric 1 → 3 economical phase-covariant cloning and optimal symmetric 1 → 3 economical real state cloning with spatially separated quantum dot spins by choosing the single-qubit rotation angles appropriately. The decoherences of the spontaneous emission of QDs, cavity decay and fiber loss are suppressed since the effective long-distance off-resonant interaction between two distant QDs is mediated by the vacuum fields of the fiber and cavity, and during the whole process no system is excited.

  20. Symmetric States Requiring System Asymmetry

    NASA Astrophysics Data System (ADS)

    Nishikawa, Takashi; Motter, Adilson E.

    2016-09-01

    Spontaneous synchronization has long served as a paradigm for behavioral uniformity that can emerge from interactions in complex systems. When the interacting entities are identical and their coupling patterns are also identical, the complete synchronization of the entire network is the state inheriting the system symmetry. As in other systems subject to symmetry breaking, such symmetric states are not always stable. Here, we report on the discovery of the converse of symmetry breaking—the scenario in which complete synchronization is not stable for identically coupled identical oscillators but becomes stable when, and only when, the oscillator parameters are judiciously tuned to nonidentical values, thereby breaking the system symmetry to preserve the state symmetry. Aside from demonstrating that diversity can facilitate and even be required for uniformity and consensus, this suggests a mechanism for convergent forms of pattern formation in which initially asymmetric patterns evolve into symmetric ones.

  1. Phase transitions in continuum ferromagnets with unbounded spins

    SciTech Connect

    Daletskii, Alexei; Kondratiev, Yuri; Kozitsky, Yuri

    2015-11-15

    States of thermal equilibrium of an infinite system of interacting particles in ℝ{sup d} are studied. The particles bear “unbounded” spins with a given symmetric a priori distribution. The interaction between the particles is pairwise and splits into position-position and spin-spin parts. The position-position part is described by a superstable potential, and the spin-spin part is attractive and of finite range. Thermodynamic states of the system are defined as tempered Gibbs measures on the space of marked configurations. It is proved that the set of such measures contains at least two elements if the activity is big enough.

  2. Instability of one-step replica-symmetry-broken phase in satisfiability problems

    NASA Astrophysics Data System (ADS)

    Montanari, Andrea; Parisi, Giorgio; Ricci-Tersenghi, Federico

    2004-02-01

    We reconsider the one-step replica-symmetry-breaking (1RSB) solutions of two random combinatorial problems: k-XORSAT and k-SAT. We present a general method for establishing the stability of these solutions with respect to further steps of replica-symmetry breaking. Our approach extends the ideas of Montanari and Ricci-Tersenghi (2003 Eur. Phys. J. B 33 339) to more general combinatorial problems. It turns out that 1RSB is always unstable at sufficiently small clause density agr or high energy. In particular, the recent 1RSB solution to 3-SAT is unstable at zero energy for agr < agrm, with agrm ap 4.153. On the other hand, the SAT-UNSAT phase transition seems to be correctly described within 1RSB.

  3. Sampling of Protein Folding Transitions: Multicanonical Versus Replica Exchange Molecular Dynamics

    PubMed Central

    2013-01-01

    We compare the efficiency of multicanonical and replica exchange molecular dynamics for the sampling of folding/unfolding events in simulations of proteins with end-to-end β-sheet. In Go-model simulations of the 75-residue MNK6, we observe improvement factors of 30 in the number of folding/unfolding events of multicanonical molecular dynamics over replica exchange molecular dynamics. As an application, we use this enhanced sampling to study the folding landscape of the 36-residue DS119 with an all-atom physical force field and implicit solvent. Here, we find that the rate-limiting step is the formation of the central helix that then provides a scaffold for the parallel β-sheet formed by the two chain ends. PMID:24198735

  4. Neutron and gamma dose and spectra measurements on the Little Boy replica

    SciTech Connect

    Hoots, S.; Wadsworth, D.

    1984-06-01

    The radiation-measurement team of the Weapons Engineering Division at Lawrence Livermore National Laboratory (LLNL) measured neutron and gamma dose and spectra on the Little Boy replica at Los Alamos National Laboratory (LANL) in April 1983. This assembly is a replica of the gun-type atomic bomb exploded over Hiroshima in 1945. These measurements support the National Academy of Sciences Program to reassess the radiation doses due to atomic bomb explosions in Japan. Specifically, the following types of information were important: neutron spectra as a function of geometry, gamma to neutron dose ratios out to 1.5 km, and neutron attenuation in the atmosphere. We measured neutron and gamma dose/fission from close-in to a kilometer out, and neutron and gamma spectra at 90 and 30/sup 0/ close-in. This paper describes these measurements and the results. 12 references, 13 figures, 5 tables.

  5. Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering

    PubMed Central

    2015-01-01

    The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated in a Hamiltonian replica-exchange scheme. The ladder of replicas is built with different strengths of the bias potential exploiting the tunability of well-tempered metadynamics. Using this method, free-energy barriers of individual collective variables are significantly reduced compared with simple force-field scaling. The introduced methodology is flexible and allows adaptive bias potentials to be self-consistently constructed for a large number of simple collective variables, such as distances and dihedral angles. The method is tested on alanine dipeptide and applied to the difficult problem of conformational sampling in a tetranucleotide. PMID:25838811

  6. Numerical simulation of a binary communication channel: Comparison between a replica calculation and an exact solution

    NASA Astrophysics Data System (ADS)

    Dominguez, D. R. C.; Maravall, M.; Turiel, A.; Ciria, J. C.; Parga, N.

    1999-03-01

    The mutual information of a single-layer perceptron with N Gaussian inputs and P deterministic binary outputs is studied by numerical simulations. The relevant parameters of the problem are the ratio between the number of output and input units, α = P/N, and those describing the two-point correlations between inputs. The main motivation of this work refers to the comparison between the replica computation of the mutual information and an analytical solution valid up to α ~ O(1). The most relevant results are: 1) the simulation supports the validity of the analytical prediction, and 2) it also verifies a previously proposed conjecture that the replica solution interpolates well between large and small values of α.

  7. Formation of replica of root canal morphology of maxillary first premolars. A technique.

    PubMed

    Sreekrishnan, B; Ajithkumar, K; Sadashivshetty, K

    1995-01-01

    Various methods have been used to study the root canal morphology of human teeth. The purpose of this study was to develop a technique for the formation of a resin replica of the root canal morphology of maxillary first premolars. 30 recently extracted maxillary first premolars were used for the study. An occlusal access cavity was prepared and the teeth placed in 5% sodium hypochlorite solution to dissolve the pulp remnants. The teeth were then rinsed in water. A two-part resin system was then introduced into the root canal through the access cavity opening. Subsequent to curing the resin using a specific curing cycle the specimens were put in 20% hydrochloric acid. This facilitated the dissolution of the tooth and the retrieval of the resin replica of the root canal. The different types of root canal morphology observed are discussed. The relevance and utility of the resin models and further possibilities in this field are discussed.

  8. A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang-Landau sampling

    NASA Astrophysics Data System (ADS)

    Li, Ying Wai; Vogel, Thomas; Wüst, Thomas; Landau, David P.

    2014-05-01

    We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping sub-windows in energy space are determined iteratively by traditional Wang-Landau sampling. The advantages and general applicability of the method are demonstrated for several distinct systems that possess discrete or continuous degrees of freedom, including those with complex free energy landscapes and topological constraints.

  9. Correlative super-resolution fluorescence and metal replica transmission electron microscopy

    PubMed Central

    Sochacki, Kem A.; Shtengel, Gleb; van Engelenburg, Schuyler B.; Hess, Harald F.; Taraska, Justin W.

    2014-01-01

    Super-resolution localization microscopy is combined with a complementary imaging technique, transmission electron microscopy of metal replicas, to locate proteins on the landscape of the cellular plasma membrane at the nanoscale. Robust correlation on the scale of 20 nm is validated by imaging endogenous clathrin (with 2D and 3D PALM/TEM) and the method is further used to find the previously unknown 3D position of epsin on clathrin coated structures. PMID:24464288

  10. Replicas of Snoopy and Charlie Brown decorate top of console in MCC

    NASA Technical Reports Server (NTRS)

    1969-01-01

    Replicas of Snoopy and Charlie Brown, the two characters from Charles Schulz's syndicated comic strip 'Peanuts', decorate the top of a console in the Mission Operations Control Room in the Mission Control Center, bldg 30, on the first day of the Apollo 10 lunar orbit mission. During the Apollo 10 lunar orbit operations the Lunar Module will be called Snoopy when it is separated from the Command/Service Modules. The code words for the Command Module will be Charlie Brown.

  11. On the use of a weak-coupling thermostat in replica-exchange molecular dynamics simulations.

    PubMed

    Lin, Zhixiong; van Gunsteren, Wilfred F

    2015-07-21

    In a molecular dynamics (MD) simulation, various thermostat algorithms, including Langevin dynamics (LD), Nosé-Hoover (NH), and weak-coupling (WC) thermostats, can be used to keep the simulation temperature constant. A canonical ensemble is generated by the use of LD and NH, while the nature of the ensemble produced by WC has not yet been identified. A few years ago, it was shown that when using a WC thermostat with particular values of the temperature coupling time for liquid water at ambient temperature and pressure, the distribution of the potential energy is less wide than the canonical one. This led to an artifact in temperature replica-exchange molecular dynamics (T-REMD) simulations in which the potential energy distributions appear not to be equal to the ones of standard MD simulations. In this paper, we re-investigate this problem. We show that this artifact is probably due to the ensemble generated by WC being incompatible with the T-REMD replica-exchange criterion, which assumes a canonical configurational ensemble. We also show, however, that this artifact can be reduced or even eliminated by particular choices of the temperature coupling time of WC and the replica-exchange time period of T-REMD, i.e., when the temperature coupling time is chosen very close to the MD time step or when the exchange time period is chosen large enough. An attempt to develop a T-REMD replica-exchange criterion which is likely to be more compatible with the WC configurational ensemble is reported. Furthermore, an exchange criterion which is compatible with a microcanonical ensemble is used in total energy REMD simulations.

  12. Spin thermopower in interacting quantum dots

    NASA Astrophysics Data System (ADS)

    Rejec, Tomaž; Žitko, Rok; Mravlje, Jernej; Ramšak, Anton

    2012-02-01

    Using analytical arguments and the numerical renormalization group method, we investigate the spin thermopower of a quantum dot in a magnetic field. In the particle-hole-symmetric situation, the temperature difference applied across the dot drives a pure spin current without accompanying charge current. For temperatures and fields at or above the Kondo temperature, but of the same order of magnitude, the spin-Seebeck coefficient is large, of the order of kB/|e|. Via a mapping, we relate the spin-Seebeck coefficient to the charge-Seebeck coefficient of a negative-U quantum dot where the corresponding result was recently reported by Andergassen [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.84.241107 84, 241107 (2011)]. For several regimes, we provide simplified analytical expressions. In the Kondo regime, the dependence of the spin-Seebeck coefficient on the temperature and the magnetic field is explained in terms of the shift of the Kondo resonance due to the field and its broadening with the temperature and the field. We also consider the influence of breaking the particle-hole symmetry and show that a pure spin current can still be realized, provided a suitable electric voltage is applied across the dot. Then, except for large asymmetries, the behavior of the spin-Seebeck coefficient remains similar to that found in the particle-hole-symmetric point.

  13. A digital approach to fabricating an abutment replica to control cement volume in a cement-retained implant prosthesis.

    PubMed

    Lee, Ju-Hyoung; Park, In-Sook; Sohn, Dong-Seok

    2016-07-01

    If a cement-retained implant prosthesis is placed on an abutment, excess cement should be minimized or removed to prevent periimplant inflammation. Various methods for fabricating an abutment replica have been introduced to maintain tissue health and reduce clean-up time. The purpose of this article is to present an alternative technique for fabricating an abutment replica with computer-aided design/computer-aided manufacturing (CAD/CAM) technology.

  14. Chemical reduction of three-dimensional silica micro-assemblies into microporous silicon replicas.

    PubMed

    Bao, Zhihao; Weatherspoon, Michael R; Shian, Samuel; Cai, Ye; Graham, Phillip D; Allan, Shawn M; Ahmad, Gul; Dickerson, Matthew B; Church, Benjamin C; Kang, Zhitao; Abernathy, Harry W; Summers, Christopher J; Liu, Meilin; Sandhage, Kenneth H

    2007-03-08

    The carbothermal reduction of silica into silicon requires the use of temperatures well above the silicon melting point (> or =2,000 degrees C). Solid silicon has recently been generated directly from silica at much lower temperatures (< or =850 degrees C) via electrochemical reduction in molten salts. However, the silicon products of such electrochemical reduction did not retain the microscale morphology of the starting silica reactants. Here we demonstrate a low-temperature (650 degrees C) magnesiothermic reduction process for converting three-dimensional nanostructured silica micro-assemblies into microporous nanocrystalline silicon replicas. The intricate nanostructured silica microshells (frustules) of diatoms (unicellular algae) were converted into co-continuous, nanocrystalline mixtures of silicon and magnesia by reaction with magnesium gas. Selective magnesia dissolution then yielded an interconnected network of silicon nanocrystals that retained the starting three-dimensional frustule morphology. The silicon replicas possessed a high specific surface area (>500 m(2) g(-1)), and contained a significant population of micropores (< or =20 A). The silicon replicas were photoluminescent, and exhibited rapid changes in impedance upon exposure to gaseous nitric oxide (suggesting a possible application in microscale gas sensing). This process enables the syntheses of microporous nanocrystalline silicon micro-assemblies with multifarious three-dimensional shapes inherited from biological or synthetic silica templates for sensor, electronic, optical or biomedical applications.

  15. Hierarchy of Hofstadter states and replica quantum Hall ferromagnetism in graphene superlattices

    NASA Astrophysics Data System (ADS)

    Yu, G. L.; Gorbachev, R. V.; Tu, J. S.; Kretinin, A. V.; Cao, Y.; Jalil, R.; Withers, F.; Ponomarenko, L. A.; Piot, B. A.; Potemski, M.; Elias, D. C.; Chen, X.; Watanabe, K.; Taniguchi, T.; Grigorieva, I. V.; Novoselov, K. S.; Fal'Ko, V. I.; Geim, A. K.; Mishchenko, A.

    2014-07-01

    Self-similarity and fractals have fascinated researchers across various disciplines. In graphene placed on boron nitride and subjected to a magnetic field, self-similarity appears in the form of numerous replicas of the original Dirac spectrum, and their quantization gives rise to a fractal pattern of Landau levels, referred to as the Hofstadter butterfly. Here we employ capacitance spectroscopy to probe directly the density of states (DoS) and energy gaps in this spectrum. Without a magnetic field, replica spectra are seen as pronounced DoS minima surrounded by van Hove singularities. The Hofstadter butterfly shows up as recurring Landau fan diagrams in high fields. Electron-electron interactions add another twist to the self-similar behaviour. We observe suppression of quantum Hall ferromagnetism, a reverse Stoner transition at commensurable fluxes and additional ferromagnetism within replica spectra. The strength and variety of the interaction effects indicate a large playground to study many-body physics in fractal Dirac systems.

  16. Preparation of thin, fine-grained, tantalum metal replicas for freeze-fracture electron microscopy.

    PubMed

    Costello, M J; Escaig, J

    1989-01-01

    Two critical factors in the preparation of metal films on biological specimens are the type of metal used and the potentially damaging effects of radiant energy from the hot metal source. The excessive heating of surfaces is a major limitation to the replication of heat-sensitive aqueous specimens with refractory metals such as tungsten and tantalum, although these metals are known to form smaller grains and thinner films than the more commonly used platinum/carbon deposited under similar conditions. We describe here an electron gun designed for the evaporation of pure tantalum; surface heating is reduced through intermittent deposition controlled by varying the open/closed intervals of a fast shutter that operates in ultra-high vacuum. The effectiveness of the shutter was evaluated with a thin thermocouple in place of the specimen. The composition of the replicas was determined by x-ray microanalysis and by direct observation of the initial melting and subsequent evaporation of the tantalum bead supported on a tungsten rod that remained unchanged during the evaporation. The quality of the tantalum replicas was demonstrated with freeze-fracture replicas of reconstituted proteoliposomes and native membrane vesicles. With shutter intervals of 0.5 sec open and 1.0 sec closed, the surface heating was reduced enough to prevent unintentional etching and to preserve small pits complementary to protein particles in hydrophobic membrane surfaces and in ice.

  17. Novel grinding stone used for polishing 3D plastic replica with rapid prototyping technology

    NASA Astrophysics Data System (ADS)

    Feng, Wang; Niikura, Yoshihiro; Sato, Toshio; Kawashima, Norimichi

    2006-01-01

    Rapid prototyping (RP) apparatus accepts a specific format translated from CAD data (patient's CT) and "slices" it into two-dimensional cross sections for laser photo curing. Surgeon can conduct safer surgery by reappearing on an actual model using 3D plastic replica in the preoperative. Polishing has to be used to eliminate the marks after removal of supports and the build layer pitches. Complicated and narrow areas of the 3D replica are difficult to be polished with the conventional grinding stone. This study proposes a novel grinding stone and introduces its producing process and characteristics. The novel grinding stone has many advantages as follows; (1) Preparation is possible of grinding stone that follows the complicated shape. (2) Grinding stone with uniformly dispersed abrasive grains can be prepared using magnetic particles and magnetic field. (3) Reshaping of grinding stone by heating is possible since the binder is made of a thermoplastic resin. (4) Every process can easily be carried out. We could polish to eliminate the marks after removal of supports and the build layer pitches on 3D plastic replica surface with the grinding stone.

  18. General Formalism of Mass Scaling Approach for Replica-Exchange Molecular Dynamics and its Application

    NASA Astrophysics Data System (ADS)

    Nagai, Tetsuro

    2017-01-01

    Replica-exchange molecular dynamics (REMD) has demonstrated its efficiency by combining trajectories of a wide range of temperatures. As an extension of the method, the author formalizes the mass-manipulating replica-exchange molecular dynamics (MMREMD) method that allows for arbitrary mass scaling with respect to temperature and individual particles. The formalism enables the versatile application of mass-scaling approaches to the REMD method. The key change introduced in the novel formalism is the generalized rules for the velocity and momentum scaling after accepted replica-exchange attempts. As an application of this general formalism, the refinement of the viscosity-REMD (V-REMD) method [P. H. Nguyen, J. Chem. Phys. 132, 144109 (2010)] is presented. Numerical results are provided using a pilot system, demonstrating easier and more optimized applicability of the new version of V-REMD as well as the importance of adherence to the generalized velocity scaling rules. With the new formalism, more sound and efficient simulations will be performed.

  19. Automatic Tool Mark Identification and Comparison with Known Bronze Age Hand Tool Replicas

    NASA Astrophysics Data System (ADS)

    Kovács, K.; Hanke, K.

    2013-07-01

    The acquisition of high-resolution surface information by advanced documentation methods as short-range laser scanning or closerange photogrammetry can provide novel tool mark research perspectives in the field of archaeological sciences. For this reason, altogether eight different Bronze Age hand tool replicas and their tool marks were surveyed and analysed in this study. The automatic identification of sliding tool marks was carried out in a GIS environment. Based on hydrological and aspect parameters, the various hand tool impressions as watershed boundaries of the surface model could be determined in the developed workflow. After the segmentation of the single tool marks, slope and width values of the patterns were compared with the cutting edges of their replicas and the most used regions of the hand tool heads could be defined by these tool mark characteristics. The variation of midline parameters along the sliding tool marks resulted in significant conclusions about the mounting techniques of the hand tool heads on the handles. A smaller angular value between the replica and the handle produced different hand tool impressions which had a major influence on the woodworking efficiency as well. Furthermore, in this paper presented methods should also help to understand other ancient wood manufacture processes.

  20. Modeling Symmetric Macromolecular Structures in Rosetta3

    PubMed Central

    DiMaio, Frank; Leaver-Fay, Andrew; Bradley, Phil; Baker, David; André, Ingemar

    2011-01-01

    Symmetric protein assemblies play important roles in many biochemical processes. However, the large size of such systems is challenging for traditional structure modeling methods. This paper describes the implementation of a general framework for modeling arbitrary symmetric systems in Rosetta3. We describe the various types of symmetries relevant to the study of protein structure that may be modeled using Rosetta's symmetric framework. We then describe how this symmetric framework is efficiently implemented within Rosetta, which restricts the conformational search space by sampling only symmetric degrees of freedom, and explicitly simulates only a subset of the interacting monomers. Finally, we describe structure prediction and design applications that utilize the Rosetta3 symmetric modeling capabilities, and provide a guide to running simulations on symmetric systems. PMID:21731614

  1. Phase transitions in the three-state Ising spin-glass model with finite connectivity.

    PubMed

    Erichsen, R; Theumann, W K

    2011-06-01

    The statistical mechanics of a two-state Ising spin-glass model with finite random connectivity, in which each site is connected to a finite number of other sites, is extended in this work within the replica technique to study the phase transitions in the three-state Ghatak-Sherrington (or random Blume-Capel) model of a spin glass with a crystal-field term. The replica symmetry ansatz for the order function is expressed in terms of a two-dimensional effective-field distribution, which is determined numerically by means of a population dynamics procedure. Phase diagrams are obtained exhibiting phase boundaries that have a reentrance with both a continuous and a genuine first-order transition with a discontinuity in the entropy. This may be seen as "inverse freezing," which has been studied extensively lately, as a process either with or without exchange of latent heat.

  2. Clustering of Nonergodic Eigenstates in Quantum Spin Glasses

    NASA Astrophysics Data System (ADS)

    Baldwin, C. L.; Laumann, C. R.; Pal, A.; Scardicchio, A.

    2017-03-01

    The two primary categories for eigenstate phases of matter at a finite temperature are many-body localization (MBL) and the eigenstate thermalization hypothesis (ETH). We show that, in the paradigmatic quantum p -spin models of the spin-glass theory, eigenstates violate the ETH yet are not MBL either. A mobility edge, which we locate using the forward-scattering approximation and replica techniques, separates the nonergodic phase at a small transverse field from an ergodic phase at a large transverse field. The nonergodic phase is also bounded from above in temperature, by a transition in configuration-space statistics reminiscent of the clustering transition in the spin-glass theory. We show that the nonergodic eigenstates are organized in clusters which exhibit distinct magnetization patterns, as characterized by an eigenstate variant of the Edwards-Anderson order parameter.

  3. The connection between statics and dynamics of spin glasses

    NASA Astrophysics Data System (ADS)

    Wittmann, Matthew; Young, A. P.

    2016-01-01

    We present results of numerical simulations on a one-dimensional Ising spin glass with long-range interactions. Parameters of the model are chosen such that it is a proxy for a short-range spin glass above the upper critical dimension (i.e. in the mean-field regime). The system is quenched to a temperature well below the transition temperature {{T}\\text{c}} and the growth of correlations is observed. The spatial decay of the correlations at distances less than the dynamic correlation length ξ (t) agrees quantitatively with the predictions of a static theory, the ‘metastate’, evaluated according to the replica symmetry breaking (RSB) theory. We also compute the dynamic exponent z (T ) defined by ξ (t)\\propto {{t}1/z(T)} and find that it is compatible with the mean-field value of the critical dynamical exponent for short range spin glasses.

  4. Spin caloritronics, origin and outlook

    NASA Astrophysics Data System (ADS)

    Yu, Haiming; Brechet, Sylvain D.; Ansermet, Jean-Philippe

    2017-03-01

    Spin caloritronics refers to research efforts in spintronics when a heat current plays a role. In this review, we start out by reviewing the predictions that can be drawn from the thermodynamics of irreversible processes. This serves as a conceptual framework in which to analyze the interplay of charge, spin and heat transport. This formalism predicts tensorial relations between vectorial quantities such as currents and gradients of chemical potentials or of temperature. Transverse effects such as the Nernst or Hall effects are predicted on the basis that these tensors can include an anti-symmetric contribution, which can be written with a vectorial cross-product. The local symmetry of the system may determine the direction of the vector defining such transverse effects, such as the surface of an isotropic medium. By including magnetization as state field in the thermodynamic description, spin currents appear naturally from the continuity equation for the magnetization, and dissipative spin torques are derived, which are charge-driven or heat-driven. Thermodynamics does not give the strength of these effects, but may provide relationships between them. Based on this framework, the review proceeds by showing how these effects have been observed in various systems. Spintronics has become a vast field of research, and the experiments highlighted in this review pertain only to heat effects on transport and magnetization dynamics, such as magneto-thermoelectric power, or the spin-dependence of the Seebeck effect, the spin-dependence of the Peltier effect, the spin Seebeck effect, the magnetic Seebeck effect, or the Nernst effect. The review concludes by pointing out predicted effects that are yet to be verified experimentally, and in what novel materials the standard thermal spin effects could be investigated.

  5. Special symmetric quark mass matrices

    NASA Astrophysics Data System (ADS)

    Silva-Marcos, J. I.

    1998-12-01

    We give a procedure to construct a special class of symmetric quark mass matrices near the democratic limit of equal Yukawa couplings for each sector. It is shown that within appropriate weak-bases, the requirements of symmetry and arg[det(M)]=0 are very strong conditions, that necessarily lead to a Cabibbo angle given by Vus=sqrt(md/ms), and to Vcb~ms/mb, in first order. In addition, we prove that the recently classified ansätze, which also reproduce these mixing matrix relations, and which were based on the hypothesis of the Universal Strength for Yukawa couplings, where all Yukawa couplings have equal moduli while the flavour dependence is only in their phases, are, in fact, particular cases of the generalized symmetric quark mass matrix ansätze we construct here. In an excellent numerical example, the experimental values on all quark mixings and masses are accommodated, and the CP violation phase parameter is shown to be crucially dependent on the values of mu and Vus.

  6. Higher spin black holes with soft hair

    NASA Astrophysics Data System (ADS)

    Grumiller, Daniel; Pérez, Alfredo; Prohazka, Stefan; Tempo, David; Troncoso, Ricardo

    2016-10-01

    We construct a new set of boundary conditions for higher spin gravity, inspired by a recent "soft Heisenberg hair"-proposal for General Relativity on three-dimensional Anti-de Sitter space. The asymptotic symmetry algebra consists of a set of affine û(1) current algebras. Its associated canonical charges generate higher spin soft hair. We focus first on the spin-3 case and then extend some of our main results to spin- N , many of which resemble the spin-2 results: the generators of the asymptotic W 3 algebra naturally emerge from composite operators of the û(1) charges through a twisted Sugawara construction; our boundary conditions ensure regularity of the Euclidean solutions space independently of the values of the charges; solutions, which we call "higher spin black flowers", are stationary but not necessarily spherically symmetric. Finally, we derive the entropy of higher spin black flowers, and find that for the branch that is continuously connected to the BTZ black hole, it depends only on the affine purely gravitational zero modes. Using our map to W -algebra currents we recover well-known expressions for higher spin entropy. We also address higher spin black flowers in the metric formalism and achieve full consistency with previous results.

  7. Kahler structures on the tangent bundles of rank-one symmetric spaces

    SciTech Connect

    Mykytyuk, I V

    2001-12-31

    For rank-one Riemannian symmetric spaces G/K, dimG/K{>=}3, with semisimple Lie groups G all G-invariant Kahler structures F on subdomains of the symplectic manifolds T(G/K) are constructed. It is shown that this class {l_brace}F{r_brace} of Kahler structures is stable under the reduction procedure. A Lie algebraic method of description of G-invariant Kahler structures on the tangent bundles of symmetric spaces G/K is presented. Related questions of the description of the Lie triple system of the space F{sub 4}/Spin(9) in terms of its spinor structure are also discussed.

  8. Kahler structures on the tangent bundles of rank-one symmetric spaces

    NASA Astrophysics Data System (ADS)

    Mykytyuk, I. V.

    2001-12-01

    For rank-one Riemannian symmetric spaces G/K, \\operatorname{dim}G/K\\geqslant3, with semisimple Lie groups G all G-invariant Kahler structures F on subdomains of the symplectic manifolds T(G/K) are constructed. It is shown that this class \\{F\\} of Kahler structures is stable under the reduction procedure. A Lie algebraic method of description of G-invariant Kahler structures on the tangent bundles of symmetric spaces G/K is presented. Related questions of the description of the Lie triple system of the space F_4/\\operatorname{Spin}(9) in terms of its spinor structure are also discussed.

  9. Free-Energy Bounds for Hierarchical Spin Models

    NASA Astrophysics Data System (ADS)

    Castellana, Michele; Barra, Adriano; Guerra, Francesco

    2014-04-01

    In this paper we study two non-mean-field (NMF) spin models built on a hierarchical lattice: the hierarchical Edward-Anderson model (HEA) of a spin glass, and Dyson's hierarchical model (DHM) of a ferromagnet. For the HEA, we prove the existence of the thermodynamic limit of the free energy and the replica-symmetry-breaking (RSB) free-energy bounds previously derived for the Sherrington-Kirkpatrick model of a spin glass. These RSB mean-field bounds are exact only if the order-parameter fluctuations (OPF) vanish: given that such fluctuations are not negligible in NMF models, we develop a novel strategy to tackle part of OPF in hierarchical models. The method is based on absorbing part of OPF of a block of spins into an effective Hamiltonian of the underlying spin blocks. We illustrate this method for DHM and show that, compared to the mean-field bound for the free energy, it provides a tighter NMF bound, with a critical temperature closer to the exact one. To extend this method to the HEA model, a suitable generalization of Griffith's correlation inequalities for Ising ferromagnets is needed: since correlation inequalities for spin glasses are still an open topic, we leave the extension of this method to hierarchical spin glasses as a future perspective.

  10. Probabilistic cloning of three symmetric states

    SciTech Connect

    Jimenez, O.; Bergou, J.; Delgado, A.

    2010-12-15

    We study the probabilistic cloning of three symmetric states. These states are defined by a single complex quantity, the inner product among them. We show that three different probabilistic cloning machines are necessary to optimally clone all possible families of three symmetric states. We also show that the optimal cloning probability of generating M copies out of one original can be cast as the quotient between the success probability of unambiguously discriminating one and M copies of symmetric states.

  11. Walking dynamics are symmetric (enough)

    PubMed Central

    Ankaralı, M. Mert; Sefati, Shahin; Madhav, Manu S.; Long, Andrew; Bastian, Amy J.; Cowan, Noah J.

    2015-01-01

    Many biological phenomena such as locomotion, circadian cycles and breathing are rhythmic in nature and can be modelled as rhythmic dynamical systems. Dynamical systems modelling often involves neglecting certain characteristics of a physical system as a modelling convenience. For example, human locomotion is frequently treated as symmetric about the sagittal plane. In this work, we test this assumption by examining human walking dynamics around the steady state (limit-cycle). Here, we adapt statistical cross-validation in order to examine whether there are statistically significant asymmetries and, even if so, test the consequences of assuming bilateral symmetry anyway. Indeed, we identify significant asymmetries in the dynamics of human walking, but nevertheless show that ignoring these asymmetries results in a more consistent and predictive model. In general, neglecting evident characteristics of a system can be more than a modelling convenience—it can produce a better model. PMID:26236826

  12. PT -symmetric slowing down of decoherence

    NASA Astrophysics Data System (ADS)

    Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

    2016-10-01

    We investigate P T -symmetric quantum systems ultraweakly coupled to an environment. We find that such open systems evolve under P T -symmetric, purely dephasing and unital dynamics. The dynamical map describing the evolution is then determined explicitly using a quantum canonical transformation. Furthermore, we provide an explanation of why P T -symmetric dephasing-type interactions lead to a critical slowing down of decoherence. This effect is further exemplified with an experimentally relevant system, a P T -symmetric qubit easily realizable, e.g., in optical or microcavity experiments.

  13. PT-symmetric slowing down of decoherence

    DOE PAGES

    Gardas, Bartlomiej; Deffner, Sebastian; Saxena, Avadh Behari

    2016-10-27

    Here, we invesmore » tigate PT-symmetric quantum systems ultraweakly coupled to an environment. We find that such open systems evolve under PT-symmetric, purely dephasing and unital dynamics. The dynamical map describing the evolution is then determined explicitly using a quantum canonical transformation. Furthermore, we provide an explanation of why PT-symmetric dephasing-type interactions lead to a critical slowing down of decoherence. This effect is further exemplified with an experimentally relevant system, a PT-symmetric qubit easily realizable, e.g., in optical or microcavity experiments.« less

  14. Computing symmetric colorings of the dihedral group

    NASA Astrophysics Data System (ADS)

    Zelenyuk, Yuliya

    2016-06-01

    A symmetry on a group G is a mapping G ∋ x ↦ gx-1 g ∈ G, where g ∈ G. A subset A ⊆ G is symmetric if it is invariant under some symmetry, that is, A = gA-1g. The notion of symmetry has interesting relations to enumerative combinatorics. A coloring is symmetric if χ(gx-1g) = χ(x) for some g ∈ G. We discuss an approach how to compute the number of symmetric r-colorings for any finite group. Using this approach we derive the formula for the number of symmetric r-colorings of the dihedral group D3.

  15. Routine characterization of 3-D profiles of SRF cavity defects using replica techniques

    SciTech Connect

    Ge, M.; Wu, G.; Burk, D.; Ozelis, J.; Harms, E.; Sergatskov, D.; Hicks, D.; Cooley, L.D.; /Fermilab

    2010-09-01

    Recent coordination of thermometry with optical images has shown that obvious defects at specific locations produce heat or even quench superconducting radio frequency (SRF) cavities, imposing a significant limit on the overall accelerating gradient produced by the cavity. Characterization of the topography at such locations provides clues about how the defects originated, from which schemes for their prevention might be devised. Topographic analyses also provide understanding of the electromagnetic mechanism by which defects limit cavity performance, from which viability of repair techniques might be assessed. In this article we discuss how a variety of two-component silicone-based room-temperature vulcanizing agents can be routinely used to make replicas of the cavity surface and extract topographic details of cavity defects. Previously, this level of detail could only be obtained by cutting suspect regions from the cavity, thus destroying the cavity. We show 3-D profiles extracted from several different 1.3 GHz cavities. The defect locations, which were all near cavity welds, compelled us to develop extraction techniques for both equator and iris welds as well as from deep inside long 9-cell cavities. Profilometry scans of the replicas yield micrometer-scale information, and we describe various curious features, such as small peaks at the bottom of pits, which were not apparent in previous optical inspections. We also discuss contour information in terms of electromagnetic mechanisms proposed by others for local cavity heating. We show that production of the replica followed by high-pressure rinsing dose not adversely affect the cavity RF performance.

  16. Inferring Predator Behavior from Attack Rates on Prey-Replicas That Differ in Conspicuousness

    PubMed Central

    2012-01-01

    Behavioral ecologists and evolutionary biologists have long studied how predators respond to prey items novel in color and pattern. Because a predatory response is influenced by both the predator’s ability to detect the prey and a post-detection behavioral response, variation among prey types in conspicuousness may confound inference about post-prey-detection predator behavior. That is, a relatively high attack rate on a given prey type may result primarily from enhanced conspicuousness and not predators’ direct preference for that prey. Few studies, however, account for such variation in conspicuousness. In a field experiment, we measured predation rates on clay replicas of two aposematic forms of the poison dart frog Dendrobates pumilio, one novel and one familiar, and two cryptic controls. To ask whether predators prefer or avoid a novel aposematic prey form independently of conspicuousness differences among replicas, we first modeled the visual system of a typical avian predator. Then, we used this model to estimate replica contrast against a leaf litter background to test whether variation in contrast alone could explain variation in predator attack rate. We found that absolute predation rates did not differ among color forms. Predation rates relative to conspicuousness did, however, deviate significantly from expectation, suggesting that predators do make post-detection decisions to avoid or attack a given prey type. The direction of this deviation from expectation, though, depended on assumptions we made about how avian predators discriminate objects from the visual background. Our results show that it is important to account for prey conspicuousness when investigating predator behavior and also that existing models of predator visual systems need to be refined. PMID:23119039

  17. Continuous spin gauge field in (A)dS space

    NASA Astrophysics Data System (ADS)

    Metsaev, R. R.

    2017-04-01

    Totally symmetric continuous spin field propagating in (A)dS is studied. Lagrangian gauge invariant formulation for such field is developed. Lagrangian of continuous spin field is constructed in terms of double traceless tensor fields, while gauge transformations are constructed in terms of traceless gauge transformation parameters. de Donder like gauge condition that leads to simple gauge fixed Lagrangian is found. Gauge-fixed Lagrangian invariant under global BRST transformations is presented. The BRST Lagrangian is used for computation of a partition function. It is demonstrated that the partition function of the continuous spin field is equal to one. Various decoupling limits of the continuous spin field are also studied.

  18. Replica-exchange Wang Landau sampling: pushing the limits of Monte Carlo simulations in materials sciences

    SciTech Connect

    Perera, Meewanage Dilina N; Li, Ying Wai; Eisenbach, Markus; Vogel, Thomas; Landau, David P

    2015-01-01

    We describe the study of thermodynamics of materials using replica-exchange Wang Landau (REWL) sampling, a generic framework for massively parallel implementations of the Wang Landau Monte Carlo method. To evaluate the performance and scalability of the method, we investigate the magnetic phase transition in body-centered cubic (bcc) iron using the classical Heisenberg model parameterized with first principles calculations. We demonstrate that our framework leads to a significant speedup without compromising the accuracy and precision and facilitates the study of much larger systems than is possible with its serial counterpart.

  19. Fabrication of polymer and nanocomposite microstructures and microactuators by capillary infiltration and replica molding

    NASA Astrophysics Data System (ADS)

    Copic, Davor

    Addition of micro- and/or nanoscale textures to surfaces can enable engineering of a wide range of properties. Passive surfaces (using fixed microstructures) can manipulate cell adhesion, liquid drag, and thermal and electrical contact resistance. Active surfaces (using shape-changing microstructures) can enable modulation of liquid wetting, adhesion, and optical properties. Nevertheless, it remains a challenge to fabricate the mechanically and environmentally robust microstructures and microactuators in large arrays. This thesis presents new fabrication methods for microstructured polymer and nanocomposite surfaces. Two approaches are pursued: capillary driven infiltration of fabricated carbon nanotube (CNT) microstructures and replica molding (REM) of master templates in liquid crystal networks (LCNs). First, it is demonstrated that CNT-polymer microstructures can function as robust large-area master molds. The fabricated microstructures include pins, tubes, re-entrant microwells, bent pillars, and high-aspect-ratio honeycombs (thickness of 400nm, aspect ratio 50:1). All are used as master structures for replica molding. A 25-fold replication sequence is shown with no physical degradation of the master or the replicas. Further, the increased stiffness and toughness of CNT-SU-8 microstructures is quantified. Second, active surfaces were created by capillary infiltration of paraffin into CNT forests. Large stroke sheet actuators, exhibiting up to 20% thermal strain at 175°C are shown. Third, thermally and optically active LCN microstructure replicas were created. Their generated strains were measured to be 6% and 0.25%, respectively. In situ monitoring of the LCN phase and order was also performed. Although having low strains, optically active microstructures are attractive for future work because they can be actuated individually and remotely. These scalable methods of fabricating microstructured surfaces, both with robust mechanical properties and active

  20. Rapid fabrication of microdevices using laser direct writing and replica moulding technique

    NASA Astrophysics Data System (ADS)

    Antończak, A. J.; Stepak, B. D.; Abramski, K. M.

    2016-03-01

    This paper presents a method that enables fast and low-cost fabrication of microchannels with oval cross-section. The procedure is based on formation of a concave meniscus at the interface between an initially cured PDMS and a polymeric mould fabricated using excimer laser. The replica is formed by expanding gas trapped within the structures of the mould during thermal curing. A second shaping factor is connected with surface phenomena at the interface between the mould, gas and partially cured PDMS. The final shape of the meniscus is determined when the PDMS reaches the high cure extent.

  1. Efficient Conformational Sampling in Explicit Solvent Using a Hybrid Replica Exchange Molecular Dynamics Method

    DTIC Science & Technology

    2011-12-01

    radius of gyration (Rg) distributions.17,22 Zhou and Berne showed significant dif- ferences in the free energy landscape of the C-terminal β-hairpin...exchange molecular dynamics simulation method employing the Poisson Boltzmann model. J. Chem. Phys. 2007, 127, 084119–17. (23) Zhou, R.; Berne , B. J...31) Gallicchio, E.; Andrec, M.; Felts, A. K.; Levy , R. M. Tempera- ture weighted histogram analysis method, replica exchange, and transi- tion paths. J. Phys. Chem. B 2005, 109, 6722–6731.

  2. Infinite swapping replica exchange molecular dynamics leads to a simple simulation patch using mixture potentials.

    PubMed

    Lu, Jianfeng; Vanden-Eijnden, Eric

    2013-02-28

    Replica exchange molecular dynamics (REMD) becomes more efficient as the frequency of swap between the temperatures is increased. Recently Plattner et al. [J. Chem. Phys. 135, 134111 (2011)] proposed a method to implement infinite swapping REMD in practice. Here we introduce a natural modification of this method that involves molecular dynamics simulations over a mixture potential. This modification is both simple to implement in practice and provides a better, energy based understanding of how to choose the temperatures in REMD to optimize efficiency. It also has implications for generalizations of REMD in which the swaps involve other parameters than the temperature.

  3. Communication: equation of state of hard oblate ellipsoids by replica exchange Monte Carlo.

    PubMed

    Odriozola, G; Guevara-Rodríguez, F de J

    2011-05-28

    We implemented the replica exchange Monte Carlo technique to produce the equation of state of hard 1:5 aspect-ratio oblate ellipsoids for a wide density range. For this purpose, we considered the analytical approximation of the overlap distance given by Bern and Pechukas and the exact numerical solution given by Perram and Wertheim. For both cases we capture the expected isotropic-nematic transition at low densities and a nematic-crystal transition at larger densities. For the exact case, these transitions occur at the volume fraction 0.341, and in the interval 0.584-0.605, respectively.

  4. Non-ergodicity and fluctuations in mesoscopic insulators: The replica cooperon and diffuson

    NASA Astrophysics Data System (ADS)

    Medina, E.; Roman, E.; Rangel, R.

    2001-06-01

    We explore the mesoscopic conductance fluctuations in the insulating regime within the Nguyen, Spivak, and Shklovskii model. We find that fluctuations of the log-conductance are persistent above the decorrelation field Bc in the insulating regime. Using the replica approach, we derive the field coupling and fluctuations in terms of "cooperon"and "diffuson"analogs and determine new corrections to temperature dependencies for small ΔB. We also analyze the ergodicity of fluctuations in the log-conductance and its scaling properties, and discuss the asymptotic validity of the usual criterion involving the commutability of disorder and field fluctuation averages.

  5. Quantifying Fluctuation Effects on the Order-Disorder Transition of Symmetric Diblock Copolymers

    NASA Astrophysics Data System (ADS)

    Zong, Jing; Wang

    2012-02-01

    How fluctuations change the order-disorder transition (ODT) of symmetric diblock copolymers is a classic yet unsolved problem in polymer physics.ootnotetextL. Leibler, Macromolecules, 13, 1602 (1980); G. H. Fredrickson and E. Helfand, J. Chem. Phys., 87, 697 (1987). Here we unambiguously quantify the fluctuation effects by direct comparisons between fast off-lattice Monte Carlo (FOMC) simulationsootnotetextQ. Wang and Y. Yin, J. Chem. Phys., 130, 104903 (2009). and mean-field theory using exactly the same model system (Hamiltonian), thus without any parameter-fitting. The symmetric diblock copolymers are modeled as discrete Gaussian chains with soft, finite-range repulsions as commonly used in dissipative-particle dynamics simulations. The effects of chain discretization and finite-range interactions on ODT are properly accounted for in our mean-field theory.ootnotetextQ. Wang, J. Chem. Phys., 129, 054904 (2008); 131, 234903 (2009). Our FOMC simulations are performed in a canonical ensemble with variable box lengths to eliminate the adverse effects of fixed box sizes on ODT.ootnotetextQ. Wang et al., J. Chem. Phys., 112, 450 (2000). Furthermore, with a new order parameter for the lamellar phase, we use replica exchange and multiple histogram reweighting to accurately locate ODT in our simulations.

  6. Symmetry fractionalization of visons in Z2 spin liquids

    NASA Astrophysics Data System (ADS)

    Qi, Yang; Cheng, Meng; Fang, Chen

    In this work we study symmetry fractionalization of vison excitations in topological Z2 spin liquids. We show that in the presence of the full SO (3) spin-rotational symmetry and if there is an odd number of spin-1/2 per unit cell, the symmetry fractionalization of visons is completely fixed. On the other hand, visons can have different classes of symmetry fractionalization if the spin-rotational symmetry is reduced. As a concrete example, we show that visons in the Balents-Fisher-Girvin Z2 spin liquid have crystal symmetry fractionalization classes which are not allowed in SO (3) symmetric spin liquids, due to the reduced spin-rotational symmetry.

  7. Spin-dependent thermoelectric effect and spin battery mechanism in triple quantum dots with Rashba spin-orbital interaction

    NASA Astrophysics Data System (ADS)

    Xu, Wei-Ping; Zhang, Yu-Ying; Wang, Qiang; Nie, Yi-Hang

    2016-11-01

    We have studied spin-dependent thermoelectric transport through parallel triple quantum dots with Rashba spin-orbital interaction (RSOI) embedded in an Aharonov-Bohm interferometer connected symmetrically to leads using nonequilibrium Green’s function method in the linear response regime. Under the appropriate configuration of magnetic flux phase and RSOI phase, the spin figure of merit can be enhanced and is even larger than the charge figure of merit. In particular, the charge and spin thermopowers as functions of both the magnetic flux phase and the RSOI phase present quadruple-peak structures in the contour graphs. For some specific configuration of the two phases, the device can provide a mechanism that converts heat into a spin voltage when the charge thermopower vanishes while the spin thermopower is not zero, which is useful in realizing the thermal spin battery and inducing a pure spin current in the device. Project supported by the National Natural Science Foundation of China (Grant Nos. 11274208 and 11447170).

  8. Correlations between the dynamics of parallel tempering and the free-energy landscape in spin glasses

    NASA Astrophysics Data System (ADS)

    Yucesoy, Burcu; Machta, Jonathan; Katzgraber, Helmut G.

    2013-01-01

    We present the results of a large-scale numerical study of the equilibrium three-dimensional Edwards-Anderson Ising spin glass with Gaussian disorder. Using parallel tempering (replica exchange) Monte Carlo we measure various static, as well as dynamical quantities, such as the autocorrelation times and round-trip times for the parallel tempering Monte Carlo method. The correlation between static and dynamic observables for 5000 disorder realizations and up to 1000 spins down to temperatures at 20% of the critical temperature is examined. Our results show that autocorrelation times are directly correlated with the roughness of the free-energy landscape.

  9. Tidal deformations of a spinning compact object

    NASA Astrophysics Data System (ADS)

    Pani, Paolo; Gualtieri, Leonardo; Maselli, Andrea; Ferrari, Valeria

    2015-07-01

    The deformability of a compact object induced by a perturbing tidal field is encoded in the tidal Love numbers, which depend sensibly on the object's internal structure. These numbers are known only for static, spherically-symmetric objects. As a first step to compute the tidal Love numbers of a spinning compact star, here we extend powerful perturbative techniques to compute the exterior geometry of a spinning object distorted by an axisymmetric tidal field to second order in the angular momentum. The spin of the object introduces couplings between electric and magnetic deformations and new classes of induced Love numbers emerge. For example, a spinning object immersed in a quadrupolar, electric tidal field can acquire some induced mass, spin, quadrupole, octupole and hexadecapole moments to second order in the spin. The deformations are encoded in a set of inhomogeneous differential equations which, remarkably, can be solved analytically in vacuum. We discuss certain subtleties in defining the tidal Love numbers in general relativity, which are due to the difficulty in separating the tidal field from the linear response of the object in the solution, even in the static case. By extending the standard procedure to identify the linear response in the static case, we prove analytically that the Love numbers of a Kerr black hole remain zero to second order in the spin. As a by-product, we provide the explicit form for a slowly-rotating, tidally-deformed Kerr black hole to quadratic order in the spin, and discuss its geodesic and geometrical properties.

  10. Continuity and Separation in Symmetric Topologies

    ERIC Educational Resources Information Center

    Harris, J.; Lynch, M.

    2007-01-01

    In this note, it is shown that in a symmetric topological space, the pairs of sets separated by the topology determine the topology itself. It is then shown that when the codomain is symmetric, functions which separate only those pairs of sets that are already separated are continuous, generalizing a result found by M. Lynch.

  11. Inversion-symmetric topological insulators

    NASA Astrophysics Data System (ADS)

    Hughes, Taylor L.; Prodan, Emil; Bernevig, B. Andrei

    2011-06-01

    We analyze translationally invariant insulators with inversion symmetry that fall outside the current established classification of topological insulators. These insulators exhibit no edge or surface modes in the energy spectrum and hence they are not edge metals when the Fermi level is in the bulk gap. However, they do exhibit protected modes in the entanglement spectrum localized on the cut between two entangled regions. Their entanglement entropy cannot be made to vanish adiabatically, and hence the insulators can be called topological. There is a direct connection between the inversion eigenvalues of the Hamiltonian band structure and the midgap states in the entanglement spectrum. The classification of protected entanglement levels is given by an integer N, which is the difference between the negative inversion eigenvalues at inversion symmetric points in the Brillouin zone, taken in sets of 2. When the Hamiltonian describes a Chern insulator or a nontrivial time-reversal invariant topological insulator, the entirety of the entanglement spectrum exhibits spectral flow. If the Chern number is zero for the former, or time reversal is broken in the latter, the entanglement spectrum does not have spectral flow, but, depending on the inversion eigenvalues, can still exhibit protected midgap bands similar to impurity bands in normal semiconductors. Although spectral flow is broken (implying the absence of real edge or surface modes in the original Hamiltonian), the midgap entanglement bands cannot be adiabatically removed, and the insulator is “topological.” We analyze the linear response of these insulators and provide proofs and examples of when the inversion eigenvalues determine a nontrivial charge polarization, a quantum Hall effect, an anisotropic three-dimensional (3D) quantum Hall effect, or a magnetoelectric polarization. In one dimension, we establish a link between the product of the inversion eigenvalues of all occupied bands at all inversion

  12. Manufacture of patient-specific vascular replicas for endovascular simulation using fast, low-cost method

    NASA Astrophysics Data System (ADS)

    Kaneko, Naoki; Mashiko, Toshihiro; Ohnishi, Taihei; Ohta, Makoto; Namba, Katsunari; Watanabe, Eiju; Kawai, Kensuke

    2016-12-01

    Patient-specific vascular replicas are essential to the simulation of endovascular treatment or for vascular research. The inside of silicone replica is required to be smooth for manipulating interventional devices without resistance. In this report, we demonstrate the fabrication of patient-specific silicone vessels with a low-cost desktop 3D printer. We show that the surface of an acrylonitrile butadiene styrene (ABS) model printed by the 3D printer can be smoothed by a single dipping in ABS solvent in a time-dependent manner, where a short dip has less effect on the shape of the model. The vascular mold is coated with transparent silicone and then the ABS mold is dissolved after the silicone is cured. Interventional devices can pass through the inside of the smoothed silicone vessel with lower pushing force compared to the vessel without smoothing. The material cost and time required to fabricate the silicone vessel is about USD $2 and 24 h, which is much lower than the current fabrication methods. This fast and low-cost method offers the possibility of testing strategies before attempting particularly difficult cases, while improving the training of endovascular therapy, enabling the trialing of new devices, and broadening the scope of vascular research.

  13. Manufacture of patient-specific vascular replicas for endovascular simulation using fast, low-cost method

    PubMed Central

    Kaneko, Naoki; Mashiko, Toshihiro; Ohnishi, Taihei; Ohta, Makoto; Namba, Katsunari; Watanabe, Eiju; Kawai, Kensuke

    2016-01-01

    Patient-specific vascular replicas are essential to the simulation of endovascular treatment or for vascular research. The inside of silicone replica is required to be smooth for manipulating interventional devices without resistance. In this report, we demonstrate the fabrication of patient-specific silicone vessels with a low-cost desktop 3D printer. We show that the surface of an acrylonitrile butadiene styrene (ABS) model printed by the 3D printer can be smoothed by a single dipping in ABS solvent in a time-dependent manner, where a short dip has less effect on the shape of the model. The vascular mold is coated with transparent silicone and then the ABS mold is dissolved after the silicone is cured. Interventional devices can pass through the inside of the smoothed silicone vessel with lower pushing force compared to the vessel without smoothing. The material cost and time required to fabricate the silicone vessel is about USD $2 and 24 h, which is much lower than the current fabrication methods. This fast and low-cost method offers the possibility of testing strategies before attempting particularly difficult cases, while improving the training of endovascular therapy, enabling the trialing of new devices, and broadening the scope of vascular research. PMID:27976687

  14. Individually Addressable Arrays of Replica Microbial Cultures Enabled by Splitting SlipChips

    PubMed Central

    Ma, Liang; Datta, Sujit S.; Karymov, Mikhail A; Pan, Qichao; Begolo, Stefano; Ismagilov, Rustem F.

    2014-01-01

    Isolating microbes carrying genes of interest from environmental samples is important for applications in biology and medicine. However, this involves the use of genetic assays that often require lysis of microbial cells, which is not compatible with the goal of obtaining live cells for isolation and culture. This paper describes the design, fabrication, biological validation, and underlying physics of a microfluidic SlipChip device that addresses this challenge. The device is composed of two conjoined plates containing 1,000 microcompartments, each comprising two juxtaposed wells, one on each opposing plate. Single microbial cells are stochastically confined and subsequently cultured within the microcompartments. Then, we split each microcompartment into two replica droplets, both containing microbial culture, and then controllably separate the two plates while retaining each droplet within each well. We experimentally describe the droplet retention as a function of capillary pressure, viscous pressure, and viscosity of the aqueous phase. Within each pair of replicas, one can be used for genetic analysis, and the other preserves live cells for growth. This microfluidic approach provides a facile way to cultivate anaerobes from complex communities. We validate this method by targeting, isolating, and culturing Bacteroides vulgatus, a core gut anaerobe, from a clinical sample. To date, this methodology has enabled isolation of a novel microbial taxon, representing a new genus. This approach could also be extended to the study of other microorganisms and even mammalian systems, and may enable targeted retrieval of solutions in applications including digital PCR, sequencing, single cell analysis, and protein crystallization. PMID:24953827

  15. Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method

    NASA Astrophysics Data System (ADS)

    Lu, Qing; Kim, Jaegil; Farrell, James D.; Wales, David J.; Straub, John E.

    2014-11-01

    The generalized Replica Exchange Method (gREM) was applied to study a solid-liquid phase transition in a nanoconfined bilayer water system using the monatomic water (mW) model. Exploiting optimally designed non-Boltzmann sampling weights with replica exchanges, gREM enables an effective sampling of configurations that are metastable or unstable in the canonical ensemble via successive unimodal energy distributions across phase transition regions, often characterized by S-loop or backbending in the statistical temperature. Extensive gREM simulations combined with Statistical Temperature Weighted Histogram Analysis Method (ST-WHAM) for nanoconfined mW water at various densities provide a comprehensive characterization of diverse thermodynamic and structural properties intrinsic to phase transitions. Graph representation of minimized structures of bilayer water systems determined by the basin-hopping global optimization revealed heterogeneous ice structures composed of pentagons, hexagons, and heptagons, consistent with an increasingly ordered solid phase with decreasing density. Apparent crossover from a first-order solid-liquid transition to a continuous one in nanoconfined mW water with increasing density of the system was observed in terms of a diminishing S-loop in the statistical temperature, smooth variation of internal energies and heat capacities, and a characteristic variation of lateral radial distribution functions, and transverse density profiles across transition regions.

  16. Large Scale Asynchronous and Distributed Multi-Dimensional Replica Exchange Molecular Simulations and Efficiency Analysis

    PubMed Central

    Xia, Junchao; Flynn, William F.; Gallicchio, Emilio; Zhang, Bin W.; He, Peng; Tan, Zhiqiang; Levy, Ronald M.

    2015-01-01

    We describe methods to perform replica exchange molecular dynamics (REMD) simulations asynchronously (ASyncRE). The methods are designed to facilitate large scale REMD simulations on grid computing networks consisting of heterogeneous and distributed computing environments as well as on homogeneous high performance clusters. We have implemented these methods on NSF XSEDE clusters and BOINC distributed computing networks at Temple University, and Brooklyn College at CUNY. They are also being implemented on the IBM World Community Grid. To illustrate the methods we have performed extensive (more than 60 microseconds in aggregate) simulations for the beta-cyclodextrin-heptanoate host-guest system in the context of one and two dimensional ASyncRE and we used the results to estimate absolute binding free energies using the Binding Energy Distribution Analysis Method (BEDAM). We propose ways to improve the efficiency of REMD simulations: these include increasing the number of exchanges attempted after a specified MD period up to the fast exchange limit, and/or adjusting the MD period to allow sufficient internal relaxation within each thermodynamic state. Although ASyncRE simulations generally require long MD periods (> picoseconds) per replica exchange cycle to minimize the overhead imposed by heterogeneous computing networks, we found that it is possible to reach an efficiency similar to conventional synchronous REMD, by optimizing the combination of the MD period and the number of exchanges attempted per cycle. PMID:26149645

  17. Flow field analysis in a compliant acinus replica model using particle image velocimetry (PIV).

    PubMed

    Berg, Emily J; Weisman, Jessica L; Oldham, Michael J; Robinson, Risa J

    2010-04-19

    Inhaled particles reaching the alveolar walls have the potential to cross the blood-gas barrier and enter the blood stream. Experimental evidence of pulmonary dosimetry, however, cannot be explained by current whole lung dosimetry models. Numerical and experimental studies shed some light on the mechanisms of particle transport, but realistic geometries have not been investigated. In this study, a three dimensional expanding model including two generations of respiratory bronchioles and five terminal alveolar sacs was created from a replica human lung cast. Flow visualization techniques were employed to quantify the fluid flow while utilizing streamlines to evaluate recirculation. Pathlines were plotted to track the fluid motion and estimate penetration depth of inhaled air. This study provides evidence that the two generations immediately proximal to the terminal alveolar sacs do not have recirculating eddies, even for intense breathing. Results of Peclet number calculations indicate that substantial convective motion is present in vivo for the case of deep breathing, which significantly increases particle penetration into the alveoli. However, particle diffusion remains the dominant mechanism of particle transport over convection, even for intense breathing because inhaled particles do not reach the alveolar wall in a single breath by convection alone. Examination of the velocity fields revealed significant uneven ventilation of the alveoli during a single breath, likely due to variations in size and location. This flow field data, obtained from replica model geometry with realistic breathing conditions, provides information to better understand fluid and particle behavior in the acinus region of the lung.

  18. Manufacture of patient-specific vascular replicas for endovascular simulation using fast, low-cost method.

    PubMed

    Kaneko, Naoki; Mashiko, Toshihiro; Ohnishi, Taihei; Ohta, Makoto; Namba, Katsunari; Watanabe, Eiju; Kawai, Kensuke

    2016-12-15

    Patient-specific vascular replicas are essential to the simulation of endovascular treatment or for vascular research. The inside of silicone replica is required to be smooth for manipulating interventional devices without resistance. In this report, we demonstrate the fabrication of patient-specific silicone vessels with a low-cost desktop 3D printer. We show that the surface of an acrylonitrile butadiene styrene (ABS) model printed by the 3D printer can be smoothed by a single dipping in ABS solvent in a time-dependent manner, where a short dip has less effect on the shape of the model. The vascular mold is coated with transparent silicone and then the ABS mold is dissolved after the silicone is cured. Interventional devices can pass through the inside of the smoothed silicone vessel with lower pushing force compared to the vessel without smoothing. The material cost and time required to fabricate the silicone vessel is about USD $2 and 24 h, which is much lower than the current fabrication methods. This fast and low-cost method offers the possibility of testing strategies before attempting particularly difficult cases, while improving the training of endovascular therapy, enabling the trialing of new devices, and broadening the scope of vascular research.

  19. Nuclear research emulsion neutron spectrometry at the Little-Boy replica

    SciTech Connect

    Gold, R.; Roberts, J.H.; Preston, C.C.

    1985-10-01

    Nuclear research emulsions (NRE) have been used to characterize the neutron spectrum emitted by the Little-Boy replica. NRE were irradiated at the Little-Boy surface as well as approximately 2 m from the center of the Little-Boy replica using polar angles of 0/sup 0/, 30/sup 0/, 60/sup 0/ and 90/sup 0/. For the NRE exposed at 2 m, neutron background was determined using shadow shields of borated polyethylene. Emulsion scanning to date has concentrated exclusively on the 2-m, 0/sup 0/ and 2-m, 90/sup 0/ locations. Approximately 5000 proton-recoil tracks have been measured in NRE irradiated at each of these locations. Neutron spectra obtained from these NRE proton-recoil spectra are compared with both liquid scintillator neutron spectrometry and Monte Carlo calculations. NRE and liquid scintillator neutron spectra generally agree within experimental uncertainties at the 2-m, 90/sup 0/ location. However, at the 2-m, 0/sup 0/ location, the neutron spectra derived from these two independent experimental methods differ significantly. NRE spectra and Monte Carlo calculations exhibit general agreement with regard to both intensity as well as energy dependence. Better agreement is attained between theory and experiment at the 2-m, 90/sup 0/ location, where the neutron intensity is considerably higher. 14 refs., 18 figs., 11 tabs.

  20. Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis.

    PubMed

    Xia, Junchao; Flynn, William F; Gallicchio, Emilio; Zhang, Bin W; He, Peng; Tan, Zhiqiang; Levy, Ronald M

    2015-09-05

    We describe methods to perform replica exchange molecular dynamics (REMD) simulations asynchronously (ASyncRE). The methods are designed to facilitate large scale REMD simulations on grid computing networks consisting of heterogeneous and distributed computing environments as well as on homogeneous high-performance clusters. We have implemented these methods on NSF (National Science Foundation) XSEDE (Extreme Science and Engineering Discovery Environment) clusters and BOINC (Berkeley Open Infrastructure for Network Computing) distributed computing networks at Temple University and Brooklyn College at CUNY (the City University of New York). They are also being implemented on the IBM World Community Grid. To illustrate the methods, we have performed extensive (more than 60 ms in aggregate) simulations for the beta-cyclodextrin-heptanoate host-guest system in the context of one- and two-dimensional ASyncRE, and we used the results to estimate absolute binding free energies using the binding energy distribution analysis method. We propose ways to improve the efficiency of REMD simulations: these include increasing the number of exchanges attempted after a specified molecular dynamics (MD) period up to the fast exchange limit and/or adjusting the MD period to allow sufficient internal relaxation within each thermodynamic state. Although ASyncRE simulations generally require long MD periods (>picoseconds) per replica exchange cycle to minimize the overhead imposed by heterogeneous computing networks, we found that it is possible to reach an efficiency similar to conventional synchronous REMD, by optimizing the combination of the MD period and the number of exchanges attempted per cycle.

  1. Individually addressable arrays of replica microbial cultures enabled by splitting SlipChips.

    PubMed

    Ma, Liang; Datta, Sujit S; Karymov, Mikhail A; Pan, Qichao; Begolo, Stefano; Ismagilov, Rustem F

    2014-08-01

    Isolating microbes carrying genes of interest from environmental samples is important for applications in biology and medicine. However, this involves the use of genetic assays that often require lysis of microbial cells, which is not compatible with the goal of obtaining live cells for isolation and culture. This paper describes the design, fabrication, biological validation, and underlying physics of a microfluidic SlipChip device that addresses this challenge. The device is composed of two conjoined plates containing 1000 microcompartments, each comprising two juxtaposed wells, one on each opposing plate. Single microbial cells are stochastically confined and subsequently cultured within the microcompartments. Then, we split each microcompartment into two replica droplets, both containing microbial culture, and then controllably separate the two plates while retaining each droplet within each well. We experimentally describe the droplet retention as a function of capillary pressure, viscous pressure, and viscosity of the aqueous phase. Within each pair of replicas, one can be used for genetic analysis, and the other preserves live cells for growth. This microfluidic approach provides a facile way to cultivate anaerobes from complex communities. We validate this method by targeting, isolating, and culturing Bacteroides vulgatus, a core gut anaerobe, from a clinical sample. To date, this methodology has enabled isolation of a novel microbial taxon, representing a new genus. This approach could also be extended to the study of other microorganisms and even mammalian systems, and may enable targeted retrieval of solutions in applications including digital PCR, sequencing, single cell analysis, and protein crystallization.

  2. Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method

    SciTech Connect

    Lu, Qing; Kim, Jaegil; Straub, John E.; Farrell, James D.; Wales, David J.

    2014-11-14

    The generalized Replica Exchange Method (gREM) was applied to study a solid-liquid phase transition in a nanoconfined bilayer water system using the monatomic water (mW) model. Exploiting optimally designed non-Boltzmann sampling weights with replica exchanges, gREM enables an effective sampling of configurations that are metastable or unstable in the canonical ensemble via successive unimodal energy distributions across phase transition regions, often characterized by S-loop or backbending in the statistical temperature. Extensive gREM simulations combined with Statistical Temperature Weighted Histogram Analysis Method (ST-WHAM) for nanoconfined mW water at various densities provide a comprehensive characterization of diverse thermodynamic and structural properties intrinsic to phase transitions. Graph representation of minimized structures of bilayer water systems determined by the basin-hopping global optimization revealed heterogeneous ice structures composed of pentagons, hexagons, and heptagons, consistent with an increasingly ordered solid phase with decreasing density. Apparent crossover from a first-order solid-liquid transition to a continuous one in nanoconfined mW water with increasing density of the system was observed in terms of a diminishing S-loop in the statistical temperature, smooth variation of internal energies and heat capacities, and a characteristic variation of lateral radial distribution functions, and transverse density profiles across transition regions.

  3. Comparison between visual clinical examination and the replica method for assessments of sealant retention over a 2-year period

    PubMed Central

    Hu, Xuan; Chen, Xi; Ye, Lu; Fan, Ming-Wen; Huysmans, Marie-Charlotte; Frencken, Jo E

    2014-01-01

    To compare the levels of agreement and the survival rates of sealant retention for different sealing materials over a 2-year period assessed using the visual clinical examination and replica methods, sealant retention data were obtained by visual clinical examination and from replicas of the same sealed tooth at baseline and at 0.5-, 1- and 2-year evaluation points in 407 children and were compared for agreement using kappa coefficients. Survival curves of retained sealants on occlusal surfaces were created using modified categorisation (fully retained sealants and those having all pits and fissures partly covered with the sealant material versus completely lost sealants that included pit and fissure systems that had ≥1 pit re-exposed) according to the Kaplan–Meier method. The kappa coefficient for the agreement between both assessment methods over the three evaluation time points combined was 0.38 (95% confidence interval (CI): 0.35–0.41). More sealant retention was observed from replicas than through visual clinical examination. Cumulative survival curves at the three evaluation times were not statistically significantly higher when assessed from replicas (P=0.47). Using the replica method, more retained sealant material was observed than through visual clinical examination during the 2-year period. This finding did not result in a difference in the survival rates of sealants assessed by the two assessment methods. When replicas cast in die stone are used for assessing sealant retention, the level of reliability of the data is higher than that of data obtained through the commonly used visual clinical examination, particularly if such assessments are conducted over time. PMID:24625469

  4. Baryon symmetric big bang cosmology

    NASA Technical Reports Server (NTRS)

    Stecker, F. W.

    1978-01-01

    Both the quantum theory and Einsteins theory of special relativity lead to the supposition that matter and antimatter were produced in equal quantities during the big bang. It is noted that local matter/antimatter asymmetries may be reconciled with universal symmetry by assuming (1) a slight imbalance of matter over antimatter in the early universe, annihilation, and a subsequent remainder of matter; (2) localized regions of excess for one or the other type of matter as an initial condition; and (3) an extremely dense, high temperature state with zero net baryon number; i.e., matter/antimatter symmetry. Attention is given to the third assumption, which is the simplest and the most in keeping with current knowledge of the cosmos, especially as pertains the universality of 3 K background radiation. Mechanisms of galaxy formation are discussed, whereby matter and antimatter might have collided and annihilated each other, or have coexisted (and continue to coexist) at vast distances. It is pointed out that baryon symmetric big bang cosmology could probably be proved if an antinucleus could be detected in cosmic radiation.

  5. In-situ optical transmission electron microscope study of exciton phonon replicas in ZnO nanowires by cathodoluminescence

    SciTech Connect

    Yang, Shize; Tian, Xuezeng; Wang, Lifen; Wei, Jiake; Qi, Kuo; Li, Xiaomin; Xu, Zhi E-mail: xdbai@iphy.ac.cn Wang, Wenlong; Zhao, Jimin; Bai, Xuedong E-mail: xdbai@iphy.ac.cn; Wang, Enge E-mail: xdbai@iphy.ac.cn

    2014-08-18

    The cathodoluminescence spectrum of single zinc oxide (ZnO) nanowires is measured by in-situ optical Transmission Electron Microscope. The coupling between exciton and longitudinal optical phonon is studied. The band edge emission varies for different excitation spots. This effect is attributed to the exciton propagation along the c axis of the nanowire. Contrary to free exciton emission, the phonon replicas are well confined in ZnO nanowire. They travel along the c axis and emit at the end surface. Bending strain increases the relative intensity of second order phonon replicas when excitons travel along the c-axis.

  6. Optimal quantum cloning via spin networks

    SciTech Connect

    Chen Qing; Cheng Jianhua; Wang Kelin; Du Jiangfeng

    2006-09-15

    In this paper we demonstrate that optimal 1{yields}M phase-covariant cloning quantum cloning is available via free dynamical evolution of spin networks. By properly designing the network and the couplings between spins, we show that optimal 1{yields}M phase-covariant cloning can be achieved if the initial state is prepared as a specific symmetric state. Especially, when M is an odd number, the optimal phase-covariant cloning can be achieved without ancillas. Moreover, we demonstrate that the same framework is capable for optimal 1{yields}2 universal cloning.

  7. The Spin of the Proton

    SciTech Connect

    Thomas, Anthony

    2008-07-01

    doi: http://dx.doi.org/10.1016/j.ppnp.2007.12.039
    The twenty years since the announcement of the proton spin crisis by the European Muon Collaboration has seen tremendous progress in our knowledge of the distribution of spin within the proton. The problem is reviewed, beginning with the original data and the suggestion that polarized gluons may play a crucial role in resolving the problem through the U(1) axial anomaly. The discussion continues to the present day where not only have strong limits have been placed on the amount of polarized glue in the proton but the experimental determination of the spin content has become much more precise. It is now clear that the origin of the discrepancy between experiment and the naive expectation of the fraction of spin carried by the quarks and anti-quarks in the proton lies in the non-perturabtive structure of the proton. We explain how the features expected in a modern, relativistic and chirally symmetric description of nucleon str

  8. Spin ejector

    DOEpatents

    Andersen, John A.; Flanigan, John J.; Kindley, Robert J.

    1978-01-01

    The disclosure relates to an apparatus for spin ejecting a body having a flat plate base containing bosses. The apparatus has a base plate and a main ejection shaft extending perpendicularly from the base plate. A compressible cylindrical spring is disposed about the shaft. Bearings are located between the shaft and the spring. A housing containing a helical aperture releasably engages the base plate and surrounds the shaft bearings and the spring. A piston having an aperture follower disposed in the housing aperture is seated on the spring and is guided by the shaft and the aperture. The spring is compressed and when released causes the piston to spin eject the body.

  9. Recent Numerical Studies of the Spin Glass State

    NASA Astrophysics Data System (ADS)

    Palassini, Matteo

    2001-03-01

    The nature of the low temperature phase of spin glasses remains a controversial issue, which has recently received considerable renewed interest. Two theories have been extensively discussed: the droplet model and the replica symmetry breaking theory. In this talk, I will discuss some recent investigations of the low temperature phase of Ising spin glasses with short range interactions in three and four dimensions. I will present the results of a new approach [1] based on studying changes in the ground state when an external perturbation is applied, using efficient optimization algorithms, as well as the results of Monte Carlo simulations at very low temperatures [2]. I will compare these results with several theoretical scenarios: the droplet model, the replica symmetry breaking theory, and a new intermediate scenario in which there are large scale excitations which cost a finite energy in the thermodynamic limit, but whose surface has a vanishing density. [1] M.Palassini and A.P. Young, Phys. Rev. Lett. 85, 3017 (2000); Phys. Rev. Lett. 83, 5126 (1999); and unpublished. [2] H.G. Katzgraber, M.Palassini and A.P. Young, cond-mat/0007113; M.Palassini and A.P.Young, unpublished.

  10. Parallel tempering and 3D spin glass models

    NASA Astrophysics Data System (ADS)

    Papakonstantinou, T.; Malakis, A.

    2014-03-01

    We review parallel tempering schemes and examine their main ingredients for accuracy and efficiency. We discuss two selection methods of temperatures and some alternatives for the exchange of replicas, including all-pair exchange methods. We measure specific heat errors and round-trip efficiency using the two-dimensional (2D) Ising model, and also test the efficiency for the ground state production in 3D spin glass models. We find that the optimization of the GS problem is highly influenced by the choice of the temperature range of the PT process. Finally, we present numerical evidence concerning the universality aspects of an anisotropic case of the 3D spin-glass model.

  11. Higher-spin charges in Hamiltonian form. II. Fermi fields

    NASA Astrophysics Data System (ADS)

    Campoleoni, A.; Henneaux, M.; Hörtner, S.; Leonard, A.

    2017-02-01

    We build the asymptotic higher-spin charges associated with "improper" gauge transformations for fermionic higher-spin gauge fields on Anti de Sitter backgrounds of arbitrary dimension. This is achieved within the canonical formalism. We consider massless fields of spin s+1/2, described by a symmetric spinor-tensor of rank s in the Fang-Fronsdal approach. We begin from a detailed analysis of the spin 5/2 example, for which we cast the Fang-Fronsdal action in Hamiltonian form, we derive the charges and we propose boundary conditions on the canonical variables that secure their finiteness. We then extend the computation of charges and the characterisation of boundary conditions to arbitrary half-integer spin. Our construction generalises to higher-spin fermionic gauge fields the known Hamiltonian derivation of supercharges in AdS supergravity.

  12. Kinetic theory of spin-polarized systems in electric and magnetic fields with spin-orbit coupling. I. Kinetic equation and anomalous Hall and spin-Hall effects

    NASA Astrophysics Data System (ADS)

    Morawetz, K.

    2015-12-01

    The coupled kinetic equation for density and spin Wigner functions is derived including spin-orbit coupling, electric and magnetic fields, and self-consistent Hartree mean fields suited for SU(2) transport. The interactions are assumed to be with scalar and magnetic impurities as well as scalar and spin-flip potentials among the particles. The spin-orbit interaction is used in a form suitable for solid state physics with Rashba or Dresselhaus coupling, graphene, extrinsic spin-orbit coupling, and effective nuclear matter coupling. The deficiencies of the two-fluid model are worked out consisting of the appearance of an effective in-medium spin precession. The stationary solution of all these systems shows a band splitting controlled by an effective medium-dependent Zeeman field. The self-consistent precession direction is discussed and a cancellation of linear spin-orbit coupling at zero temperature is reported. The precession of spin around this effective direction caused by spin-orbit coupling leads to anomalous charge and spin currents in an electric field. Anomalous Hall conductivity is shown to consist of the known results obtained from the Kubo formula or Berry phases and a symmetric part interpreted as an inverse Hall effect. Analogously the spin-Hall and inverse spin-Hall effects of spin currents are discussed which are present even without magnetic fields showing a spin accumulation triggered by currents. The analytical dynamical expressions for zero temperature are derived and discussed in dependence on the magnetic field and effective magnetizations. The anomalous Hall and spin-Hall effect changes sign at higher than a critical frequency dependent on the relaxation time.

  13. Low-temperature behavior of the statistics of the overlap distribution in Ising spin-glass models

    NASA Astrophysics Data System (ADS)

    Wittmann, Matthew; Yucesoy, B.; Katzgraber, Helmut G.; Machta, J.; Young, A. P.

    2014-10-01

    Using Monte Carlo simulations, we study in detail the overlap distribution for individual samples for several spin-glass models including the infinite-range Sherrington-Kirkpatrick model, short-range Edwards-Anderson models in three and four space dimensions, and one-dimensional long-range models with diluted power-law interactions. We study three long-range models with different powers as follows: The first is approximately equivalent to a short-range model in three dimensions, the second to a short-range model in four dimensions, and the third to a short-range model in the mean-field regime. We study an observable proposed earlier by some of us which aims to distinguish the "replica symmetry breaking" picture of the spin-glass phase from the "droplet picture," finding that larger system sizes would be needed to unambiguously determine which of these pictures describes the low-temperature state of spin glasses best, except for the Sherrington-Kirkpatrick model, which is unambiguously described by replica symmetry breaking. Finally, we also study the median integrated overlap probability distribution and a typical overlap distribution, finding that these observables are not particularly helpful in distinguishing the replica symmetry breaking and the droplet pictures.

  14. A group-theoretic approach to constructions of non-relativistic spin-statistics

    NASA Astrophysics Data System (ADS)

    Harrison, J. M.; Robbins, J. M.

    2000-11-01

    We give a group-theoretical generalization of Berry and Robbins' treatment of identical particles with spin. The original construction, which leads to the correct spin-statistics relation, is seen to arise from particular irreducible representations—the totally symmetric representations—of the group SU(4). Here we calculate the exchange signs and corresponding statistics for all irreducible representations of SU(4).

  15. Analytical polarization transfer functions for four coupled spins 12 under isotropic mixing conditions

    PubMed

    Luy; Schedletzky; Glaser

    1999-05-01

    Analytical polarization transfer functions are presented for spin systems consisting of four spins 12 with arbitrary coupling constants under isotropic mixing conditions. In addition, simplified transfer functions were derived for symmetric coupling topologies. Based on these transfer functions optimal durations for the mixing period can be determined for correlations of interest. Copyright 1999 Academic Press.

  16. Sealant retention is better assessed through colour photographs than through the replica and the visual examination methods.

    PubMed

    Hu, Xuan; Fan, Mingwan; Rong, Wensheng; Lo, Edward C M; Bronkhorst, Ewald; Frencken, Jo E

    2014-08-01

    The aim of this study was to test the hypothesis that the colour photograph method has a higher level of validity for assessing sealant retention than the visual clinical examination and replica methods. Sealed molars were assessed by two evaluators. The scores for the three methods were compared against consensus scores derived through assessing retention from scanning electron microscopy images (reference standard). The presence/absence (survival) of retained sealants on occlusal surfaces was determined according to the traditional and modified categorizations of retention. Sensitivity, specificity, and Youden-index scores were calculated. Sealant retention assessment scores for visual clinical examinations and for colour photographs were compared with those of the reference standard on 95 surfaces, and sealant retention assessment scores for replicas were compared with those of the reference standard on 33 surfaces. The highest mean Youden-index score for the presence/absence of sealant material was observed for the colour photograph method, followed by that for the replica method; the visual clinical examination method scored lowest. The mean Youden-index score for the survival of retained sealants was highest for the colour photograph method for both the traditional (0.882) and the modified (0.768) categories of sealant retention, whilst the visual clinical examination method had the lowest Youden-index score for these categories (0.745 and 0.063, respectively). The colour photograph method had a higher validity than the replica and the visual examination methods for assessing sealant retention.

  17. Validation of airway resistance models for predicting pressure loss through anatomically realistic conducting airway replicas of adults and children.

    PubMed

    Borojeni, Azadeh A T; Noga, Michelle L; Martin, Andrew R; Finlay, Warren H

    2015-07-16

    This work describes in vitro measurement of the total pressure loss at varying flow rate through anatomically realistic conducting airway replicas of 10 children, 4 to 8 years old, and 5 adults. Experimental results were compared with analytical predictions made using published airway resistance models. For the adult replicas, the model proposed by van Ertbruggen et al. (2005. J. Appl. Physiol. 98, 970-980) most accurately predicted central conducting airway resistance for inspiratory flow rates ranging from 15 to 90 L/min. Models proposed by Pedley et al. (1970. J. Respir. Physiol. 9, 371-386) and by Katz et al. (2011. J. Biomech. 44, 1137-1143) also provided reasonable estimates, but with a tendency to over predict measured pressure loss for both models. For child replicas, the Pedley and Katz models both provided good estimation of measured pressure loss at flow rates representative of resting tidal breathing, but under predicted measured values at high inspiratory flow rate (60 L/min). The van Ertbruggen model, developed based on flow simulations performed in an adult airway model, tended to under predict measured pressure loss through the child replicas across the range of flow rates studied (2 to 60 L/min). These results are intended to provide guidance for selection of analytical pressure loss models for use in predicting airway resistance and ventilation distribution in adults and children.

  18. Localization-Free Detection of Replica Node Attacks in Wireless Sensor Networks Using Similarity Estimation with Group Deployment Knowledge

    PubMed Central

    Ding, Chao; Yang, Lijun; Wu, Meng

    2017-01-01

    Due to the unattended nature and poor security guarantee of the wireless sensor networks (WSNs), adversaries can easily make replicas of compromised nodes, and place them throughout the network to launch various types of attacks. Such an attack is dangerous because it enables the adversaries to control large numbers of nodes and extend the damage of attacks to most of the network with quite limited cost. To stop the node replica attack, we propose a location similarity-based detection scheme using deployment knowledge. Compared with prior solutions, our scheme provides extra functionalities that prevent replicas from generating false location claims without deploying resource-consuming localization techniques on the resource-constraint sensor nodes. We evaluate the security performance of our proposal under different attack strategies through heuristic analysis, and show that our scheme achieves secure and robust replica detection by increasing the cost of node replication. Additionally, we evaluate the impact of network environment on the proposed scheme through theoretic analysis and simulation experiments, and indicate that our scheme achieves effectiveness and efficiency with substantially lower communication, computational, and storage overhead than prior works under different situations and attack strategies. PMID:28098846

  19. Localization-Free Detection of Replica Node Attacks in Wireless Sensor Networks Using Similarity Estimation with Group Deployment Knowledge.

    PubMed

    Ding, Chao; Yang, Lijun; Wu, Meng

    2017-01-15

    Due to the unattended nature and poor security guarantee of the wireless sensor networks (WSNs), adversaries can easily make replicas of compromised nodes, and place them throughout the network to launch various types of attacks. Such an attack is dangerous because it enables the adversaries to control large numbers of nodes and extend the damage of attacks to most of the network with quite limited cost. To stop the node replica attack, we propose a location similarity-based detection scheme using deployment knowledge. Compared with prior solutions, our scheme provides extra functionalities that prevent replicas from generating false location claims without deploying resource-consuming localization techniques on the resource-constraint sensor nodes. We evaluate the security performance of our proposal under different attack strategies through heuristic analysis, and show that our scheme achieves secure and robust replica detection by increasing the cost of node replication. Additionally, we evaluate the impact of network environment on the proposed scheme through theoretic analysis and simulation experiments, and indicate that our scheme achieves effectiveness and efficiency with substantially lower communication, computational, and storage overhead than prior works under different situations and attack strategies.

  20. Spin pumping and spin Seebeck effect

    NASA Astrophysics Data System (ADS)

    Saitoh, Eiji

    2012-02-01

    Utilization of a spin current, a flow of electrons' spins in a solid, is the key technology in spintronics that will allow the achievement of efficient magnetic memories and computing devices. In this technology, generation and detection of spin currents are necessary. Here, we review inverse spin-Hall effect and spin-current-generation phenomena recently discovered both in metals and insulators: inverse spin-Hall effect, spin pumping, and spin Seebeck effect. (1)Spin pumping and spin torque in a Mott insulator system We found that spin pumping and spin torque effects appear also at an interface between Pt and an insulator YIG.. This means that we can connect a spin current carried by conduction electrons and a spin-wave spin current flowing in insulators. We demonstrate electric signal transmission by using these effects and interconversion of the spin currents [1]. (2) Spin Seebeck effect We have observed, by using the inverse spin-Hall effect [2], spin voltage generation from a heat current in a NiFe, named the spin-Seebeck effect [3]. Surprisingly, spin-Seebeck effect was found to appear even in insulators [4], a situation completely different from conventional charge Seebeck effect. The result implies an important role of elementary excitation in solids beside charge in the spin Seebeck effect. In the talk, we review the recent progress of the research on this effect. This research is collaboration with K. Ando, K. Uchida, Y. Kajiwara, S. Maekawa, G. E. W. Bauer, S. Takahashi, and J. Ieda. [4pt] [1] Y. Kajiwara and E. Saitoh et al. Nature 464 (2010) 262. [0pt] [2] E. Saitoh et al., Appl. Phys. Lett. 88 (2006) 182509. [0pt] [3] K. Uchida and E. Saitoh et al., Nature 455 (2008)778. [0pt] [4] K. Uchida and E. Saitoh et al.,Nature materials 9 (2010) 894 - 897.

  1. Martingale Rosenthal inequalities in symmetric spaces

    SciTech Connect

    Astashkin, S V

    2014-12-31

    We establish inequalities similar to the classical Rosenthal inequalities for sequences of martingale differences in general symmetric spaces; a central role is played here by the predictable quadratic characteristic of a martingale. Bibliography: 26 titles.

  2. Clusters of solutions and replica symmetry breaking in random k-satisfiability

    NASA Astrophysics Data System (ADS)

    Montanari, Andrea; Ricci-Tersenghi, Federico; Semerjian, Guilhem

    2008-04-01

    We study the set of solutions of random k-satisfiability formulas through the cavity method. It is known that, for an interval of the clause-to-variables ratio, this decomposes into an exponential number of pure states (clusters). We refine substantially this picture by: (i) determining the precise location of the clustering transition; (ii) uncovering a second 'condensation' phase transition in the structure of the solution set for k>=4. These results both follow from computing the large deviation rate of the internal entropy of pure states. From a technical point of view our main contributions are a simplified version of the cavity formalism for special values of the Parisi replica symmetry breaking parameter m (in particular for m = 1 via a correspondence with the tree reconstruction problem) and new large-k expansions.

  3. Characterizing folding funnels with replica exchange Wang-Landau simulation of lattice proteins.

    PubMed

    Shi, Guangjie; Wüst, Thomas; Landau, David P

    2016-11-01

    We have studied the folding of ribonuclease A by mapping it onto coarse-grained lattice protein models. With replica exchange Wang-Landau sampling, we calculated the free energy vs end-to-end distance as a function of temperature. A mapping to the famous hydrophobic-polar (HP) model shows a relatively shallow folding funnel and flat free energy minimum, reflecting the high degeneracy of the ground state. In contrast, extending the HP model with an additional "neutral" monomer type (i.e., a mapping to the three-letter H0P model) has a well developed, rough free energy funnel with a low degeneracy ground state. In both cases, folding funnels are asymmetric with temperature dependent shape.

  4. Replica-exchange Wang-Landau simulations of the H0P lattice protein model

    NASA Astrophysics Data System (ADS)

    Shi, Guangjie; Wüst, Thomas; Li, Ying Wai; Landau, David P.

    The hydrophobic-polar (HP) lattice protein model has been the subject of intensive investigation in an effort to aid our understanding of protein folding. However, the high ground state degeneracies caused by its simplification stands in contrast to the generally unique native states of natural proteins. Here we proposed a simple modification, by introducing a new type of ``neutral'' monomer, 0, i.e. neither hydrophobic nor polar, thus rendering the model more realistic without increasing the difficulties of sampling significantly. With the replica exchange Wang-Landau (REWL) scheme we investigated several widely studied HP proteins and their H0P counterparts. Dramatic differences in both ground state and thermodynamic properties have been found. For example, the H0P version of Crambin shows more clear two-step folding and 3 order of magnitudes less ground state degeneracy than its HP counterpart. Supported by NSF.

  5. Characterizing folding funnels with replica exchange Wang-Landau simulation of lattice proteins

    NASA Astrophysics Data System (ADS)

    Shi, Guangjie; Wüst, Thomas; Landau, David P.

    2016-11-01

    We have studied the folding of ribonuclease A by mapping it onto coarse-grained lattice protein models. With replica exchange Wang-Landau sampling, we calculated the free energy vs end-to-end distance as a function of temperature. A mapping to the famous hydrophobic-polar (HP) model shows a relatively shallow folding funnel and flat free energy minimum, reflecting the high degeneracy of the ground state. In contrast, extending the HP model with an additional "neutral" monomer type (i.e., a mapping to the three-letter H0P model) has a well developed, rough free energy funnel with a low degeneracy ground state. In both cases, folding funnels are asymmetric with temperature dependent shape.

  6. Coexistence of Replica Bands and Superconductivity in FeSe Monolayer Films

    NASA Astrophysics Data System (ADS)

    Rebec, S. N.; Jia, T.; Zhang, C.; Hashimoto, M.; Lu, D.-H.; Moore, R. G.; Shen, Z.-X.

    2017-02-01

    To elucidate the mechanisms behind the enhanced Tc in monolayer (1 ML) FeSe on SrTiO3 (STO), we grew highly strained 1 ML FeSe on the rectangular (100) face of rutile TiO2 , and observed the coexistence of replica bands and superconductivity with a Tc of 63 K. From the similar Tc between this system and 1ML FeSe on STO (001), we conclude that strain and dielectric constant are likely unimportant to the enhanced Tc in these systems. A systematic comparison of 1 ML FeSe on TiO2 with other systems in the FeSe family shows that while charge transfer alone can enhance Tc, it is only with the addition of interfacial electron-phonon coupling that Tc can be increased to the level seen in 1 ML FeSe on STO.

  7. The 2003 Goddard Rocket Replica Project: A Reconstruction of the World's First Functional Liquid Rocket System

    NASA Technical Reports Server (NTRS)

    Farr, R. A.; Elam, S. K.; Hicks, G. D.; Sanders, T. M.; London, J. R.; Mayne, A. W.; Christensen, D. L.

    2003-01-01

    As a part of NASA s 2003 Centennial of Flight celebration, engineers and technicians at Marshall Space Flight Center (MSFC), Huntsville, Alabama, in cooperation with the Alabama-Mississippi AIAA Section, have reconstructed historically accurate, functional replicas of Dr. Robert H. Goddard s 1926 first liquid- fuel rocket. The purposes of this project were to clearly understand, recreate, and document the mechanisms and workings of the 1926 rocket for exhibit and educational use, creating a vital resource for researchers studying the evolution of liquid rocketry for years to come. The MSFC team s reverse engineering activity has created detailed engineering-quality drawings and specifications describing the original rocket and how it was built, tested, and operated. Static hot-fire tests, as well as flight demonstrations, have further defined and quantified the actual performance and engineering actual performance and engineering challenges of this major segment in early aerospace history.

  8. Towards an Optimal Flow: Density-of-States-Informed Replica-Exchange Simulations.

    PubMed

    Vogel, Thomas; Perez, Danny

    2015-11-06

    Replica exchange (RE) is one of the most popular enhanced-sampling simulations technique in use today. Despite widespread successes, RE simulations can sometimes fail to converge in practical amounts of time, e.g., when sampling around phase transitions, or when a few hard-to-find configurations dominate the statistical averages. We introduce a generalized RE scheme, density-of-states-informed RE, that addresses some of these challenges. The key feature of our approach is to inform the simulation with readily available, but commonly unused, information on the density of states of the system as the RE simulation proceeds. This enables two improvements, namely, the introduction of resampling moves that actively move the system towards equilibrium and the continual adaptation of the optimal temperature set. As a consequence of these two innovations, we show that the configuration flow in temperature space is optimized and that the overall convergence of RE simulations can be dramatically accelerated.

  9. Towards an Optimal Flow: Density-of-States-Informed Replica-Exchange Simulations

    NASA Astrophysics Data System (ADS)

    Vogel, Thomas; Perez, Danny

    2015-11-01

    Replica exchange (RE) is one of the most popular enhanced-sampling simulations technique in use today. Despite widespread successes, RE simulations can sometimes fail to converge in practical amounts of time, e.g., when sampling around phase transitions, or when a few hard-to-find configurations dominate the statistical averages. We introduce a generalized RE scheme, density-of-states-informed RE, that addresses some of these challenges. The key feature of our approach is to inform the simulation with readily available, but commonly unused, information on the density of states of the system as the RE simulation proceeds. This enables two improvements, namely, the introduction of resampling moves that actively move the system towards equilibrium and the continual adaptation of the optimal temperature set. As a consequence of these two innovations, we show that the configuration flow in temperature space is optimized and that the overall convergence of RE simulations can be dramatically accelerated.

  10. Combining coarse-grained protein models with replica-exchange all-atom molecular dynamics.

    PubMed

    Wabik, Jacek; Kmiecik, Sebastian; Gront, Dominik; Kouza, Maksim; Koliński, Andrzej

    2013-05-10

    We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a model system of protein folding. After reconstructing atomistic details, conformations derived from the CABS simulation were subjected to replica-exchange molecular dynamics simulations with OPLS-AA and AMBER99sb force fields in explicit solvent. Such a combination accelerates system convergence several times in comparison with all-atom simulations starting from the extended chain conformation, demonstrated by the analysis of melting curves, the number of native-like conformations as a function of time and secondary structure propagation. The results strongly suggest that the proposed multiscale method could be an efficient and accurate tool for high-resolution studies of protein folding dynamics in larger systems.

  11. Replica-Exchange Molecular Dynamics Simulations of Amyloid Precursor Protein Dimer in Membrane

    NASA Astrophysics Data System (ADS)

    Miyashita, Naoyuki; Sugita, Yuji

    2010-01-01

    Aggregation of amyloid β peptide (Aβ) in the brain is the primary element in the pathogenesis of Alzheimer's disease. Aβ is derived from amyloid precursor protein (APP) in the membrane due to the cleavages by β- and γ-secretases. Here, we predict the transmembrane structures of the wild-type and mutant APP in the biological membrane by replica-exchange molecular dynamics simulations. The simulations illustrate large conformational differences between the wild type and mutant APP fragments in the membrane. Dimerization of the wild type occurs due to the Cα-H⋯O hydrogen bonds at the Gly-XXX-Gly motifs between two APP fragments, whereas the mutant dimer is stabilized by the interactions between hydrophobic side chains. We also observe the downward shift of γ-cleavage site in the mutant APP, which may cause the prohibition of Aβ production.

  12. Shear modulus of glasses: results from the full replica-symmetry-breaking solution.

    PubMed

    Yoshino, Hajime; Zamponi, Francesco

    2014-08-01

    We compute the shear modulus of amorphous hard and soft spheres, using the exact solution in infinite spatial dimensions that has been developed recently. We characterize the behavior of this observable in the whole phase diagram, and in particular around the glass and jamming transitions. Our results are consistent with other theoretical approaches, which are unified within this general picture, and they are also consistent with numerical and experimental results. Furthermore, we discuss some properties of the out-of-equilibrium dynamics after a deep quench close to the jamming transition, and we show that a combined measure of the shear modulus and of the mean square displacement allows one to probe experimentally the complex structure of phase space predicted by the full replica-symmetry-breaking solution.

  13. Towards an optimal flow: Density-of-states-informed replica-exchange simulations

    SciTech Connect

    Vogel, Thomas; Perez, Danny

    2015-11-05

    Here we learn that replica exchange (RE) is one of the most popular enhanced-sampling simulations technique in use today. Despite widespread successes, RE simulations can sometimes fail to converge in practical amounts of time, e.g., when sampling around phase transitions, or when a few hard-to-find configurations dominate the statistical averages. We introduce a generalized RE scheme, density-of-states-informed RE, that addresses some of these challenges. The key feature of our approach is to inform the simulation with readily available, but commonly unused, information on the density of states of the system as the RE simulation proceeds. This enables two improvements, namely, the introduction of resampling moves that actively move the system towards equilibrium and the continual adaptation of the optimal temperature set. As a consequence of these two innovations, we show that the configuration flow in temperature space is optimized and that the overall convergence of RE simulations can be dramatically accelerated.

  14. Search for Length Dependent Stable Structures of Polyglutamaine Proteins with Replica Exchange Molecular Dynamic

    NASA Astrophysics Data System (ADS)

    Kluber, Alexander; Hayre, Robert; Cox, Daniel

    2012-02-01

    Motivated by the need to find beta-structure aggregation nuclei for the polyQ diseases such as Huntington's, we have undertaken a search for length dependent structure in model polyglutamine proteins. We use the Onufriev-Bashford-Case (OBC) generalized Born implicit solvent GPU based AMBER11 molecular dynamics with the parm96 force field coupled with a replica exchange method to characterize monomeric strands of polyglutamine as a function of chain length and temperature. This force field and solvation method has been shown among other methods to accurately reproduce folded metastability in certain small peptides, and to yield accurately de novo folded structures in a millisecond time-scale protein. Using GPU molecular dynamics we can sample out into the microsecond range. Additionally, explicit solvent runs will be used to verify results from the implicit solvent runs. We will assess order using measures of secondary structure and hydrogen bond content.

  15. Neutron and gamma-ray dose measurements at various distances from the Little Boy replica

    SciTech Connect

    Huntzinger, C.J.; Hankins, D.E.

    1984-08-01

    We measured neutron and gamma-ray dose rates at various distances from the Little Boy-Comet Critical Assembly at Los Alamos National Laboratory (LANL) in April of 1983. The Little Boy-Comet Assembly is a replica of the atomic weapon detonated over Hiroshima, designed to be operated at various steady-state power levels. The selected distances for measurement ranged from 107 m to 567 m. Gamma-ray measurements were made with a Reuter-Stokes environmental ionization chamber which has a sensitivity of 1.0 ..mu..R/hour. Neutron measurements were made with a pulsed-source remmeter which has a sensitivity of 0.1 ..mu..rem/hour, designed and built at Lawrence Livermore National Laboratory (LLNL). 12 references, 7 figures, 6 tables.

  16. Replica extraction method on nanostructured gold coatings and orientation determination combining SEM and TEM techniques.

    PubMed

    Bocker, Christian; Kracker, Michael; Rüssel, Christian

    2014-12-01

    In the field of electron microscopy the replica technique is known as an indirect method and also as an extraction method that is usually applied on metallurgical samples. This contribution describes a fast and simple transmission electron microscopic (TEM) sample preparation by complete removal of nanoparticles from a substrate surface that allows the study of growth mechanisms of nanostructured coatings. The comparison and combination of advanced diffraction techniques in the TEM and scanning electron microscopy (SEM) provide possibilities for operators with access to both facilities. The analysis of TEM-derived diffraction patterns (convergent beam electron diffraction) in the SEM/electron backscatter diffraction software simplifies the application, especially when the patterns are not aligned along a distinct zone axis. The study of the TEM sample directly by SEM and transmission Kikuchi diffraction allows cross-correlation with the TEM results.

  17. Folding of SAM-II riboswitch explored by replica-exchange molecular dynamics simulation.

    PubMed

    Xue, Xu; Yongjun, Wang; Zhihong, Li

    2015-01-21

    Riboswitches are cis-acting RNA fragments that function via a conformational transition mechanism when a specific target molecule binds to its binding pocket, representing an inviting new class of biomolecular target for the development of antibiotics. To understand the folding mechanism of SAM-II riboswitch, occurring predominantly in proteobacteria, a 100ns replica-exchange molecular dynamics simulation in explicit solvent is performed. Our results show that this RNA pseudoknot has multiple folding pathways, and various intermediate structures. The resultant riboswitch conformational transition map is well consistent with the recent fluorescence measurement, which confirms the dynamical properties of this pseudoknot. Moreover, a novel transition pathway is predicted. The global folding dynamics is mainly coupled with the helix rather than the loop region. The potential folding pathways of the riboswitch presented here should lead to a deeper understanding of the folding mechanism of the riboswitch, as well as the conformational change of RNA pseudoknot.

  18. Zero-conductance resonances and spin polarizations in three-terminal rings in the presence of spin-orbit coupling

    SciTech Connect

    Zhai, Li-Xue; Wang, Yan; Liu, Jian-Jun

    2014-11-28

    Spin dependent transport in one-dimensional (1D) three-terminal rings is investigated in the presence of the Rashba spin-orbit coupling (RSOC). We focus on zero-conductance resonances and spin polarizations. For these purposes, the transmission functions are derived analytically. The total conductances are analyzed in the complex energy plane with a focus on the zero-pole structure characteristic of transmission (anti)resonances. The spin polarizations in symmetrically and asymmetrically coupled three-terminal rings are studied as a function of the incident electron energy. It is found that in the absence of the RSOC there are three kinds of conductance zeros. In the presence of the RSOC, the zeros of the first and the third kinds are lifted, while some of the second kind persist. The lifting of the conductance zeros is related to the breaking of the spin-reversal symmetry, and the lifted conductance zeros evolve into spin polarization zeros.

  19. Flattening mountains: micro-fabrication of planar replicas for bullet lateral striae analysis.

    PubMed

    Cominato, Laura; Valle, Francesco; Pierini, Giovanni; Bonini, Paolo; Biscarini, Fabio; D'Elia, Marcello

    2015-02-01

    The application of replica molding has proven to be a valuable tool in the analysis of different forensic evidences in particular for its ability to extract the toolmarks from complex sample surfaces. A well known problem in the analysis of ballistic evidences is the accurate characterization of the lateral striae of real bullets seized on crime scenes after shots, due primarily to impact deformations and to unpredictable issues related to laboratory illumination setup. To overcome these problems a possible way is to confine over a flat surface all the features still preserving their three dimensionality. This can be achieved by a novel application of replica molding performed onto the relevant lateral portion of the bullet surface. A quasi-two-dimensional negative copy of the original tridimensional indented surface has been thus fabricated. It combines the real tridimensional topography of class characteristics (land and groove impressions) and of individual caracteristics (striae) impressed by rifled barrels on projectiles, moreover with the possibility of quantitative characterization of these features in a planar configuration, that will allow one-shot comparison of the "whole striae landscape" without the typical artifacts arising from the bullet shape and the illumination issue. A detailed analysis has been carried on at the morphological level by standard optical and scanning electron microscopy, while the 3D topography has been characterized by white light optical profilometry. A quantitative characterization of toolmarks of bullets derived from ammunitions shot by guns of large diffusion, as the Beretta 98 FS cal. 9×21 mm, has been performed and will be presented ranging between the whole landscape and the sub-μm resolution. To investigate the real potentiality of this technique, the experiment has been extended to highly impact-deformed projectiles.

  20. Convergence and sampling efficiency in replica exchange simulations of peptide folding in explicit solvent.

    PubMed

    Periole, Xavier; Mark, Alan E

    2007-01-07

    Replica exchange methods (REMs) are increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. However, despite having been shown to be very effective on model systems, the application of REM in complex systems such as for the simulation of protein and peptide folding in explicit solvent has not been objectively tested in detail. Here we present a comparison of conventional MD and temperature replica exchange MD (T-REMD) simulations of a beta-heptapeptide in explicit solvent. This system has previously been shown to undergo reversible folding on the time scales accessible to MD simulation and thus allows a direct one-to-one comparison of efficiency. The primary properties compared are the free energy of folding and the relative populations of different conformers as a function of temperature. It is found that to achieve a similar degree of precision T-REMD simulations starting from a random set of initial configurations were approximately an order of magnitude more computationally efficient than a single 800 ns conventional MD simulation for this system at the lowest temperature investigated (275 K). However, whereas it was found that T-REMD simulations are more than four times more efficient than multiple independent MD simulations at one temperature (300 K) the actual increase in conformation sampling was only twofold. The overall gain in efficiency using REMD resulted primarily from the ordering of different conformational states over temperature, as opposed to a large increase of conformational sampling. It is also shown that in this system exchanges are accepted primarily based on (random) fluctuations within the solvent and are not strongly correlated with the instantaneous peptide conformation raising questions in regard to the efficiency of T-REMD in larger systems.

  1. Tight junctions in the choroid plexus epithelium. A freeze-fracture study including complementary replicas

    PubMed Central

    1979-01-01

    The tight junctions of the choroid plexus epithelium of rats were studied by freeze-fracture. In glutaraldehyde-fixed material, the junctions exhibited rows of aligned particles and short bars on P- faces, the E-faces showing grooves bearing relatively many particles. A particulate nature of the junctional strands could be established by using unfixed material. The mean values of junctional strands from the lateral, third, and fourth ventricles of Lewis rats were 7.5 +/- 2.6, 7.4 +/- 2.2, and 7.5 +/- 2.4; and of Sprague-Dawley rats 7.7 +/- 3.4, 7.4 +/- 2.3, and 7.3 +/- 1.6. Examination of complementary replicas (of fixed tissue) showed that discomtinuities are present in the junctional strands: 42.2 +/- 4.6% of the length of measured P-face ridges were discontinuities, and the total amount of complementary particles in E- face grooves constituted 17.8 +/- 4.4% of the total length of the grooves, thus approximately 25% of the junctional strands can be considered to be discontinuous. The average width of the discontinuities, when corrected for complementary particles in E-face grooves, was 7.7 +/- 4.5 nm. In control experiments with a "tighter" tight junction (small intestine), complementary replicas revealed that the junctional fibrils are rather continuous and that the very few particles in E-face grooves mostly filled out discontinuities in the P- face ridges. Approximately 5% of the strands were found to be discontinuous. These data support the notion that the presence of pores in the junctional strands of the choroid plexus epithelium may explain the high transepithelial conductance in a "leaky" epithelium having a high number of junctional strands. However, loss of junctional material during fracturing is also considered as an alternative explanation of the present results. PMID:457764

  2. Gamma-ray spectra and doses from the Little Boy replica

    SciTech Connect

    Moss, C.E.; Lucas, M.C.; Tisinger, E.W.; Hamm, M.E.

    1984-01-01

    Most radiation safety guidelines in the nuclear industry are based on the data concerning the survivors of the nuclear explosions at Hiroshima and Nagasaki. Crucial to determining these guidelines is the radiation from the explosions. We have measured gamma-ray pulse-height distributions from an accurate replica of the Little Boy device used at Hiroshima, operated at low power levels near critical. The device was placed outdoors on a stand 4 m from the ground to minimize environmental effects. The power levels were based on a monitor detector calibrated very carefully in independent experiments. High-resolution pulse-height distributions were acquired with a germanium detector to identify the lines and to obtain line intensities. The 7631 to 7645 keV doublet from neutron capture in the heavy steel case was dominant. Low-resolution pulse-height distributions were acquired with bismuth-germanate detectors. We calculated flux spectra from these distributions using accurately measured detector response functions and efficiency curves. We then calculated dose-rate spectra from the flux spectra using a flux-to-dose-rate conversion procedure. The integral of each dose-rate spectrum gave an integral dose rate. The integral doses at 2 m ranged from 0.46 to 1.03 mrem per 10/sup 13/ fissions. The output of the Little Boy replica can be calculated with Monte Carlo codes. Comparison of our experimental spectra, line intensities, and integral doses can be used to verify these calculations at low power levels and give increased confidence to the calculated values from the explosion at Hiroshima. These calculations then can be used to establish better radiation safety guidelines. 7 references, 7 figures, 2 tables.

  3. Long-time atomistic simulations with the Parallel Replica Dynamics method

    NASA Astrophysics Data System (ADS)

    Perez, Danny

    Molecular Dynamics (MD) -- the numerical integration of atomistic equations of motion -- is a workhorse of computational materials science. Indeed, MD can in principle be used to obtain any thermodynamic or kinetic quantity, without introducing any approximation or assumptions beyond the adequacy of the interaction potential. It is therefore an extremely powerful and flexible tool to study materials with atomistic spatio-temporal resolution. These enviable qualities however come at a steep computational price, hence limiting the system sizes and simulation times that can be achieved in practice. While the size limitation can be efficiently addressed with massively parallel implementations of MD based on spatial decomposition strategies, allowing for the simulation of trillions of atoms, the same approach usually cannot extend the timescales much beyond microseconds. In this article, we discuss an alternative parallel-in-time approach, the Parallel Replica Dynamics (ParRep) method, that aims at addressing the timescale limitation of MD for systems that evolve through rare state-to-state transitions. We review the formal underpinnings of the method and demonstrate that it can provide arbitrarily accurate results for any definition of the states. When an adequate definition of the states is available, ParRep can simulate trajectories with a parallel speedup approaching the number of replicas used. We demonstrate the usefulness of ParRep by presenting different examples of materials simulations where access to long timescales was essential to access the physical regime of interest and discuss practical considerations that must be addressed to carry out these simulations. Work supported by the United States Department of Energy (U.S. DOE), Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division.

  4. Reversibility of a Symmetric Linear Cellular Automata

    NASA Astrophysics Data System (ADS)

    Del Rey, A. Martín; Sánchez, G. Rodríguez

    The characterization of the size of the cellular space of a particular type of reversible symmetric linear cellular automata is introduced in this paper. Specifically, it is shown that those symmetric linear cellular with 2k + 1 cells, and whose transition matrix is a k-diagonal square band matrix with nonzero entries equal to 1 are reversible. Furthermore, in this case the inverse cellular automata are explicitly computed. Moreover, the reversibility condition is also studied for a general number of cells.

  5. Block Lanczos tridiagonalization of complex symmetric matrices

    NASA Astrophysics Data System (ADS)

    Qiao, Sanzheng; Liu, Guohong; Xu, Wei

    2005-08-01

    The classic Lanczos method is an effective method for tridiagonalizing real symmetric matrices. Its block algorithm can significantly improve performance by exploiting memory hierarchies. In this paper, we present a block Lanczos method for tridiagonalizing complex symmetric matrices. Also, we propose a novel componentwise technique for detecting the loss of orthogonality to stablize the block Lanczos algorithm. Our experiments have shown our componentwise technique can reduce the number of orthogonalizations.

  6. Lax Operator for Macdonald Symmetric Functions

    NASA Astrophysics Data System (ADS)

    Nazarov, Maxim; Sklyanin, Evgeny

    2015-07-01

    Using the Lax operator formalism, we construct a family of pairwise commuting operators such that the Macdonald symmetric functions of infinitely many variables and of two parameters q, t are their eigenfunctions. We express our operators in terms of the Hall-Littlewood symmetric functions of the variables and of the parameter t corresponding to the partitions with one part only. Our expression is based on the notion of Baker-Akhiezer function.

  7. Spin Electronics

    DTIC Science & Technology

    2003-08-01

    spectroscopy laboratory including high pulse power capabilities (regenerative amplifiers and optical parametric amplifiers ) and broad spectral range ...The data identify narrow ranges of doping concentrations where spin lifetimes in semiconductors are enhanced by orders of magnitude, culminating in... dynamic measurements in the 10 to 100 picoseconds (ps) range . • A second program, which will come to fruition within one to two years, has the name

  8. Disorder-promoted C4-symmetric magnetic order in iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Hoyer, Mareike; Fernandes, Rafael M.; Levchenko, Alex; Schmalian, Jörg

    2016-04-01

    In most iron-based superconductors, the transition to the magnetically ordered state is closely linked to a lowering of structural symmetry from tetragonal (C4) to orthorhombic (C2). However, recently, a regime of C4-symmetric magnetic order has been reported in certain hole-doped iron-based superconductors. This novel magnetic ground state can be understood as a double-Q spin density wave characterized by two order parameters M1 and M2 related to each of the two Q vectors. Depending on the relative orientations of the order parameters, either a noncollinear spin-vortex crystal or a nonuniform charge-spin density wave could form. Experimentally, Mössbauer spectroscopy, neutron scattering, and muon spin rotation established the latter as the magnetic configuration of some of these optimally hole-doped iron-based superconductors. Theoretically, low-energy itinerant models do support a transition from single-Q to double-Q magnetic order, but with nearly degenerate spin-vortex crystal and charge-spin density wave states. In fact, extensions of these low-energy models including additional electronic interactions tip the balance in favor of the spin-vortex crystal, in apparent contradiction with the recent experimental findings. In this paper we revisit the phase diagram of magnetic ground states of low-energy multiband models in the presence of weak disorder. We show that impurity scattering not only promotes the transition from C2 to C4-magnetic order, but it also favors the charge-spin density wave over the spin-vortex crystal phase. Additionally, in the single-Q phase, our analysis of the nematic coupling constant in the presence of disorder supports the experimental finding that the splitting between the structural and stripe-magnetic transition is enhanced by disorder.

  9. Matrix isolation ESR spectroscopy and magnetic anisotropy of D{sub 3h} symmetric septet trinitrenes

    SciTech Connect

    Misochko, Eugenii Ya.; Akimov, Alexander V.; Masitov, Artem A.; Korchagin, Denis V.; Aldoshin, Sergei M.; Chapyshev, Sergei V.

    2013-05-28

    The fine-structure (FS) parameters D of a series of D{sub 3h} symmetric septet trinitrenes were analyzed theoretically using density functional theory (DFT) calculations and compared with the experimental D values derived from ESR spectra. ESR studies show that D{sub 3h} symmetric septet 1,3,5-trichloro-2,4,6-trinitrenobenzene with D=-0.0957 cm{sup -1} and E= 0 cm{sup -1} is the major paramagnetic product of the photolysis of 1,3,5-triazido-2,4,6-trichlorobenzene in solid argon matrices at 15 K. Trinitrenes of this type display in the powder X-band ESR spectra intense Z{sub 1}-transition at very low magnetic fields, the position of which allows one to precisely calculate the parameter D of such molecules. Thus, our revision of the FS parameters of well-known 1,3,5-tricyano-2,4,6-trinitrenobenzene [E. Wasserman, K. Schueller, and W. A. Yager, Chem. Phys. Lett. 2, 259 (1968)] shows that this trinitrene has Double-Vertical-Line D Double-Vertical-Line = 0.092 cm{sup -1} and E= 0 cm{sup -1}. DFT calculations reveal that, unlike C{sub 2v} symmetric septet trinitrenes, D{sub 3h} symmetric trinitrenes have the same orientations of the spin-spin coupling tensor D-caret{sub SS} and the spin-orbit coupling tensor D-caret{sub SOC} and, as a result, have negative signs for both the D{sub SS} and D{sub SOC} values. The negative magnetic anisotropy of septet 2,4,6-trinitrenobenzenes is considerably strengthened on introduction of heavy atoms in the molecules, owing to an increase in contributions of various excitation states to the D{sub SOC} term.

  10. Spin and Pseudospin Symmetries in Relativistic Trigonometric PÖSCHL-TELLER Potential with Centrifugal Barrier

    NASA Astrophysics Data System (ADS)

    Hamzavi, M.; Ikhdair, S. M.; Thylwe, K.-E.

    2012-12-01

    Approximate analytical solutions of the Dirac equation with the trigonometric Pöschl-Teller (tPT) potential are obtained for arbitrary spin-orbit quantum number κ using an approximation scheme to deal with the spin-orbit coupling terms κ(κ±1)r-2. In the presence of exact spin and pseudo-spin (p-spin) symmetric limitation, the bound state energy eigenvalues and the corresponding two-component wave functions of the Dirac particle moving in the field of attractive and repulsive tPT potential are obtained using the parametric generalization of the Nikiforov-Uvarov (NU) method. The case of nonrelativistic limit is studied too.

  11. spin pumping occurred under nonlinear spin precession

    NASA Astrophysics Data System (ADS)

    Zhou, Hengan; Fan, Xiaolong; Ma, Li; Zhou, Shiming; Xue, Desheng

    Spin pumping occurs when a pure-spin current is injected into a normal metal thin layer by an adjacent ferromagnetic metal layer undergoing ferromagnetic resonance, which can be understood as the inverse effect of spin torque, and gives access to the physics of magnetization dynamics and damping. An interesting question is that whether spin pumping occurring under nonlinear spin dynamics would differ from linear case. It is known that nonlinear spin dynamics differ distinctly from linear response, a variety of amplitude dependent nonlinear effect would present. It has been found that for spin precession angle above a few degrees, nonlinear damping term would present and dominated the dynamic energy/spin-moment dissipation. Since spin pumping are closely related to the damping process, it is interesting to ask whether the nonlinear damping term could be involved in spin pumping process. We studied the spin pumping effect occurring under nonlinear spin precession. A device which is a Pt/YIG microstrip coupled with coplanar waveguide was used. High power excitation resulted in spin precession entering in a nonlinear regime. Foldover resonance lineshape and nonlinear damping have been observed. Based on those nonlinear effects, we determined the values of the precession cone angles, and the maximum cone angle can reach a values as high as 21.5 degrees. We found that even in nonlinear regime, spin pumping is still linear, which means the nonlinear damping and foldover would not affect spin pumping process.

  12. A theoretical study of the spin glass-Kondo-magnetic disordered alloys in the presence of a random field

    NASA Astrophysics Data System (ADS)

    Magalhaes, S. G.; Zimmer, F. M.; Coqblin, B.

    2012-12-01

    We study here the influence of a random applied magnetic field on the competition between the Kondo effect, the spin glass phase and a ferromagnetic order in disordered cerium systems such as CeNi1-xCux. The model used here takes an intrasite Kondo coupling and an intersite random coupling; both the intersite random coupling and the random magnetic field are described within the Sherrington-Kirkpatrick model and the one-step replica symmetry breaking procedure is also used here. We present phase diagrams giving Temperature versus the Kondo exchange parameter and the random magnetic field makes decrease particularly the importance of the spin glass and ferromagnetic phases.

  13. Spin-one matter fields

    NASA Astrophysics Data System (ADS)

    Napsuciale, M.; Rodríguez, S.; Ferro-Hernández, Rodolfo; Gómez-Ávila, Selim

    2016-04-01

    Spin-one matter fields are relevant both for the description of hadronic states and as potential extensions of the Standard Model. In this work we present a formalism for the description of massive spin-one fields transforming in the (1 ,0 )⊕(0 ,1 ) representation of the Lorentz group, based on the covariant projection onto parity eigenspaces and Poincaré orbits. The formalism yields a constrained dynamics. We solve the constraints and perform the canonical quantization accordingly. This formulation uses the recent construction of a parity-based covariant basis for matrix operators acting on the (j ,0 )⊕(0 ,j ) representations. The algebraic properties of the covariant basis play an important role in solving the constraints and allowing the canonical quantization of the theory. We study the chiral structure of the theory and conclude that it is not chirally symmetric in the massless limit, hence it is not possible to have chiral gauge interactions. However, spin-one matter fields can have vector gauge interactions. Also, the dimension of the field makes self-interactions naively renormalizable. Using the covariant basis, we classify all possible self-interaction terms.

  14. Image domain propeller fast spin echo.

    PubMed

    Skare, Stefan; Holdsworth, Samantha J; Lilja, Anders; Bammer, Roland

    2013-04-01

    A new pulse sequence for high-resolution T2-weighted (T2-w) imaging is proposed - image domain propeller fast spin echo (iProp-FSE). Similar to the T2-w PROPELLER sequence, iProp-FSE acquires data in a segmented fashion, as blades that are acquired in multiple TRs. However, the iProp-FSE blades are formed in the image domain instead of in the k-space domain. Each iProp-FSE blade resembles a single-shot fast spin echo (SSFSE) sequence with a very narrow phase-encoding field of view (FOV), after which N rotated blade replicas yield the final full circular FOV. Our method of combining the image domain blade data to a full FOV image is detailed, and optimal choices of phase-encoding FOVs and receiver bandwidths were evaluated on phantom and volunteers. The results suggest that a phase FOV of 15-20%, a receiver bandwidth of ±32-63 kHz and a subsequent readout time of about 300 ms provide a good tradeoff between signal-to-noise ratio (SNR) efficiency and T2 blurring. Comparisons between iProp-FSE, Cartesian FSE and PROPELLER were made on single-slice axial brain data, showing similar T2-w tissue contrast and SNR with great anatomical conspicuity at similar scan times - without colored noise or streaks from motion. A new slice interleaving order is also proposed to improve the multislice capabilities of iProp-FSE.

  15. Theory of spin blockade in a triple quantum dots

    NASA Astrophysics Data System (ADS)

    Hsieh, Chang-Yu; Shim, Yun-Pil; Hawrylak, Pawel

    2011-03-01

    We present a theory of electronic properties and spin blockade in a linear triple quantum dots. We use micoroscopic LCHO-CI and double-band Hubbard model to analyze the electronic and spin properties of a triple quantum dots near a symmetrical quadruple point involving the (1,1,1) configuration which is essential for implementing quantum information processing with electron spin. We calculate spectral functions and relate them via the rate equation, including coupling with a phonon bath, to current as a function of applied bias. We show that the spin blockade in a triple quantum dots can serve as a spectroscopic tool to distinguish spin polarized states from spin depolarized states. We also show that a spin blockade is developed only at high bias when an onsite triplet state on the edge quantum dot connected to the source lead becomes accessible in the transport window. In contradiction to the case of double quantum dot molecule, the onsite triplet is not only essential for lifting spin blockade but also important for building up spin polarisation and spin blockade in the system. The authors would like to acknowledge financial support from NSERC, OGS, and QuantumWorks.

  16. Symmetry Analysis of Spin-Dependent Electric Dipole and Its Application to Magnetoelectric Effects

    NASA Astrophysics Data System (ADS)

    Matsumoto, Masashige; Chimata, Kosuke; Koga, Mikito

    2017-03-01

    Spin-dependent electric dipole operators are investigated group-theoretically for the emergence of an electric dipole induced by a single spin or by two spins, where the spin dependences are completely classified up to the quadratic order. For a single spin, a product of spin operators behaves as an even-parity electric quadrupole operator, which differs from an odd-parity electric dipole. The lack of the inversion symmetry allows the even- and odd-parity mixing, which leads to the electric dipole described by the electric quadruple operators. Point-group tables are given for classification of the possible spin-dependent electric dipoles and for the qualitative analysis of multiferroic properties, such as an emergent electric dipole moment coexisting with a magnetic moment, electromagnon excitation, and directional dichroism. The results can be applied to a magnetic ion in crystals or embedded in molecules at a site without the inversion symmetry. In the presence of an inversion symmetry, the electric dipole does not appear for a single spin. This is not the case for the electric dipole induced by two spins with antisymmetric spin dependence, which is known as vector spin chirality, in the presence of the inversion center between the two spins. In the absence of the inversion center, symmetric spin-dependent electric dipoles are also relevant. The detailed analysis of various symmetries of two-spin states is applied to spin dimer systems and the related multiferroic properties.

  17. Ginzburg-Landau theory for skyrmions in inversion-symmetric magnets with competing interactions

    DOE PAGES

    Lin, Shi-Zeng; Hayami, Satoru

    2016-02-01

    Magnetic skyrmions have attracted considerable attention recently for their huge potential in spintronic applications. Generally skyrmions are big compared to the atomic lattice constant, which allows for the Ginzburg-Landau type description in the continuum limit. This description successfully captures the main experimental observations on skyrmions in B20 compound without inversion symmetry. Skyrmions can also exist in inversion-symmetric magnets with competing interactions. Here, we derive a general Ginzburg-Landau theory for skyrmions in these magnets valid in the long-wavelength limit. We study the unusual static and dynamical properties of skyrmions based on the derived Ginzburg-Landau theory. We show that an easy axismore » spin anisotropy is sufficient to stabilize a skyrmion lattice. Interestingly, the skyrmion in inversion-symmetric magnets has a new internal degree of freedom associated with the rotation of helicity, i.e., the “spin” of the skyrmion as a particle, in addition to the usual translational motion of skyrmions (orbital motion). The orbital and spin degree of freedoms of an individual skyrmion can couple to each other, and give rise to unusual behavior that is absent for the skyrmions stabilized by the Dzyaloshinskii-Moriya interaction. Finally, the derived Ginzburg-Landau theory provides a convenient and general framework to discuss skyrmion physics and will facilitate the search for skyrmions in inversion-symmetric magnets.« less

  18. Emergent quantum criticality from fractionalizing one-dimensional SO(5) symmetric valence-bond solid states

    NASA Astrophysics Data System (ADS)

    Rao, Wen-Jia; Cai, Kang; Wan, Xin; Zhang, Guang-Ming

    2015-12-01

    A common feature of topological phases of matter is the fractionalization of the quantum number in their low-energy excitations. Such information is encoded in their ground state wave functions, but emerges in the bipartite entanglement spectra. The symmetric extensive bipartition is an effective novel method to create deconfined fractionalized edge particles in the reduced subsystem, which lead to quantum critical behavior associated with the transition from the topological phase to its adjacent trivial phase. Here we report the interesting results revealed by applying this method to the one-dimensional SO(5) symmetric valence-bond solid state being a spin-2 symmetry protected topological phase. From the finite-size entanglement spectrum, we find the lowest level to be an SO(5) singlet with a logarithmic entanglement entropy. Surprisingly, the first excited level is also an SO(5) singlet and the spectral gap scales with the subsystem size as LA-ν with ν ≃1.978 . In the thermodynamic limit, a novel quantum criticality emerges with SO(5) spinons and their four-body singlet bound states as elementary excitations, hence ruling out the possibility of being described by a conformal field theory. Moreover, the entanglement Hamiltonian can be determined as an SO(5) symmetric nearest neighbor spin-3/2 quadruple-quadruple interaction with a negative coupling. Our work thus demonstrates the power of this new method in the study of quantum criticality encoded in the topological ground states.

  19. Ginzburg-Landau theory for skyrmions in inversion-symmetric magnets with competing interactions

    SciTech Connect

    Lin, Shi-Zeng; Hayami, Satoru

    2016-02-01

    Magnetic skyrmions have attracted considerable attention recently for their huge potential in spintronic applications. Generally skyrmions are big compared to the atomic lattice constant, which allows for the Ginzburg-Landau type description in the continuum limit. This description successfully captures the main experimental observations on skyrmions in B20 compound without inversion symmetry. Skyrmions can also exist in inversion-symmetric magnets with competing interactions. Here, we derive a general Ginzburg-Landau theory for skyrmions in these magnets valid in the long-wavelength limit. We study the unusual static and dynamical properties of skyrmions based on the derived Ginzburg-Landau theory. We show that an easy axis spin anisotropy is sufficient to stabilize a skyrmion lattice. Interestingly, the skyrmion in inversion-symmetric magnets has a new internal degree of freedom associated with the rotation of helicity, i.e., the “spin” of the skyrmion as a particle, in addition to the usual translational motion of skyrmions (orbital motion). The orbital and spin degree of freedoms of an individual skyrmion can couple to each other, and give rise to unusual behavior that is absent for the skyrmions stabilized by the Dzyaloshinskii-Moriya interaction. Finally, the derived Ginzburg-Landau theory provides a convenient and general framework to discuss skyrmion physics and will facilitate the search for skyrmions in inversion-symmetric magnets.

  20. CAST: Contraction Algorithm for Symmetric Tensors

    SciTech Connect

    Rajbhandari, Samyam; NIkam, Akshay; Lai, Pai-Wei; Stock, Kevin; Krishnamoorthy, Sriram; Sadayappan, Ponnuswamy

    2014-09-22

    Tensor contractions represent the most compute-intensive core kernels in ab initio computational quantum chemistry and nuclear physics. Symmetries in these tensor contractions makes them difficult to load balance and scale to large distributed systems. In this paper, we develop an efficient and scalable algorithm to contract symmetric tensors. We introduce a novel approach that avoids data redistribution in contracting symmetric tensors while also avoiding redundant storage and maintaining load balance. We present experimental results on two parallel supercomputers for several symmetric contractions that appear in the CCSD quantum chemistry method. We also present a novel approach to tensor redistribution that can take advantage of parallel hyperplanes when the initial distribution has replicated dimensions, and use collective broadcast when the final distribution has replicated dimensions, making the algorithm very efficient.

  1. Communication-avoiding symmetric-indefinite factorization

    SciTech Connect

    Ballard, Grey Malone; Becker, Dulcenia; Demmel, James; Dongarra, Jack; Druinsky, Alex; Peled, Inon; Schwartz, Oded; Toledo, Sivan; Yamazaki, Ichitaro

    2014-11-13

    We describe and analyze a novel symmetric triangular factorization algorithm. The algorithm is essentially a block version of Aasen's triangular tridiagonalization. It factors a dense symmetric matrix A as the product A=PLTLTPT where P is a permutation matrix, L is lower triangular, and T is block tridiagonal and banded. The algorithm is the first symmetric-indefinite communication-avoiding factorization: it performs an asymptotically optimal amount of communication in a two-level memory hierarchy for almost any cache-line size. Adaptations of the algorithm to parallel computers are likely to be communication efficient as well; one such adaptation has been recently published. As a result, the current paper describes the algorithm, proves that it is numerically stable, and proves that it is communication optimal.

  2. Communication-avoiding symmetric-indefinite factorization

    DOE PAGES

    Ballard, Grey Malone; Becker, Dulcenia; Demmel, James; ...

    2014-11-13

    We describe and analyze a novel symmetric triangular factorization algorithm. The algorithm is essentially a block version of Aasen's triangular tridiagonalization. It factors a dense symmetric matrix A as the product A=PLTLTPT where P is a permutation matrix, L is lower triangular, and T is block tridiagonal and banded. The algorithm is the first symmetric-indefinite communication-avoiding factorization: it performs an asymptotically optimal amount of communication in a two-level memory hierarchy for almost any cache-line size. Adaptations of the algorithm to parallel computers are likely to be communication efficient as well; one such adaptation has been recently published. As a result,more » the current paper describes the algorithm, proves that it is numerically stable, and proves that it is communication optimal.« less

  3. On symmetric and upwind TVD schemes

    NASA Technical Reports Server (NTRS)

    Yee, H. C.

    1985-01-01

    A class of explicit and implicit total variation diminishing (TVD) schemes for the compressible Euler and Navier-Stokes equations was developed. They do not generate spurious oscillations across shocks and contact discontinuities. In general, shocks can be captured within 1 to 2 grid points. For the inviscid case, these schemes are divided into upwind TVD schemes and symmetric (nonupwind) TVD schemes. The upwind TVD scheme is based on the second-order TVD scheme. The symmetric TVD scheme is a generalization of Roe's and Davis' TVD Lax-Wendroff scheme. The performance of these schemes on some viscous and inviscid airfoil steady-state calculations is investigated. The symmetric and upwind TVD schemes are compared.

  4. The Robust Assembly of Small Symmetric Nanoshells

    PubMed Central

    Wagner, Jef; Zandi, Roya

    2015-01-01

    Highly symmetric nanoshells are found in many biological systems, such as clathrin cages and viral shells. Many studies have shown that symmetric shells appear in nature as a result of the free-energy minimization of a generic interaction between their constituent subunits. We examine the physical basis for the formation of symmetric shells, and by using a minimal model, demonstrate that these structures can readily grow from the irreversible addition of identical subunits. Our model of nanoshell assembly shows that the spontaneous curvature regulates the size of the shell while the mechanical properties of the subunit determine the symmetry of the assembled structure. Understanding the minimum requirements for the formation of closed nanoshells is a necessary step toward engineering of nanocontainers, which will have far-reaching impact in both material science and medicine. PMID:26331253

  5. The Robust Assembly of Small Symmetric Nanoshells.

    PubMed

    Wagner, Jef; Zandi, Roya

    2015-09-01

    Highly symmetric nanoshells are found in many biological systems, such as clathrin cages and viral shells. Many studies have shown that symmetric shells appear in nature as a result of the free-energy minimization of a generic interaction between their constituent subunits. We examine the physical basis for the formation of symmetric shells, and by using a minimal model, demonstrate that these structures can readily grow from the irreversible addition of identical subunits. Our model of nanoshell assembly shows that the spontaneous curvature regulates the size of the shell while the mechanical properties of the subunit determine the symmetry of the assembled structure. Understanding the minimum requirements for the formation of closed nanoshells is a necessary step toward engineering of nanocontainers, which will have far-reaching impact in both material science and medicine.

  6. Strain-modulation of spin-dependent transport in graphene

    SciTech Connect

    Cao, Zhen-Zhou Hou, Jin; Cheng, Yan-Fu; Li, Guan-Qiang

    2014-10-27

    We investigate strain modulation of the spin-dependent electron transport in a graphene junction using the transfer matrix method. As an analogy to optics, we define the modulation depth in the electron optics domain. Additionally, we discuss the transport properties and show that the modulation depth and the conductance depend on the spin-orbit coupling strength, the strain magnitude, the width of the strained area, and the energy of the incident electron. The conductances of the spin-down and spin-up electrons have opposite and symmetrical variations, which results in the analogous features of their modulation depths. The maximum conditions for both the modulation depth and the electron spin upset rate are also analyzed.

  7. Spin torque ferromagnetic resonance in Heusler based magnetic tunnel junctions

    NASA Astrophysics Data System (ADS)

    Zhang, Jie; Phung, Timothy; Pushp, Aakash; Jeong, Jaewoo; Ferrante, Yari; Rettner, Charles; Hughes, Brian P.; Yang, See-Hun; Parkin, Stuart S. P.

    Heusler compounds are of interest as electrode materials for use in magnetic tunnel junctions (MTJs) due to their half metallic character, which leads to high spin polarization and high tunneling magnetoresistance. Whilst much work has focused on the influence of the half metallic character of the Heusler compounds on the magnetoresistance of MTJs, there is much less work investigating the influence of this electronic structure on the spin transfer torque. Here, we investigate the bias dependence of the anti-damping like and field-like spin transfer torque components as a function of the bias voltage in symmetric (CoMnSi/MgO/CoMnSi) and asymmetric (CoMnSi/MgO/CoFe) structure magnetic tunnel junctions using spin transfer torque ferromagnetic resonance. Lastly, we report on the effect of asymmetric bias dependence of the differential conductance on the spin transfer torque.

  8. Investigation of dominant spin wave modes by domain walls collision

    SciTech Connect

    Ramu, M.; Purnama, I.; Goolaup, S.; Chandra Sekhar, M.; Lew, W. S.

    2014-06-28

    Spin wave emission due to field-driven domain wall (DW) collision has been investigated numerically and analytically in permalloy nanowires. The spin wave modes generated are diagonally symmetric with respect to the collision point. The non-propagating mode has the highest amplitude along the middle of the width. The frequency of this mode is strongly correlated to the nanowire geometrical dimensions and is independent of the strength of applied field within the range of 0.1 mT to 1 mT. For nanowire with film thickness below 5 nm, a second spin wave harmonic mode is observed. The decay coefficient of the spin wave power suggests that the DWs in a memory device should be at least 300 nm apart for them to be free of interference from the spin waves.

  9. Investigation of dominant spin wave modes by domain walls collision

    NASA Astrophysics Data System (ADS)

    Ramu, M.; Purnama, I.; Goolaup, S.; Chandra Sekhar, M.; Lew, W. S.

    2014-06-01

    Spin wave emission due to field-driven domain wall (DW) collision has been investigated numerically and analytically in permalloy nanowires. The spin wave modes generated are diagonally symmetric with respect to the collision point. The non-propagating mode has the highest amplitude along the middle of the width. The frequency of this mode is strongly correlated to the nanowire geometrical dimensions and is independent of the strength of applied field within the range of 0.1 mT to 1 mT. For nanowire with film thickness below 5 nm, a second spin wave harmonic mode is observed. The decay coefficient of the spin wave power suggests that the DWs in a memory device should be at least 300 nm apart for them to be free of interference from the spin waves.

  10. Self-bending symmetric cusp beams

    SciTech Connect

    Gong, Lei; Liu, Wei-Wei; Lu, Yao; Li, Yin-Mei; Ren, Yu-Xuan

    2015-12-07

    A type of self-bending symmetric cusp beams with four accelerating intensity maxima is theoretically and experimentally presented. Distinguished from the reported regular polygon beams, the symmetric cusp beams simultaneously exhibit peculiar features of natural autofocusing and self-acceleration during propagation. Further, such beams take the shape of a fine longitudinal needle-like structure at the focal region and possess the strong ability of self-healing over obstacles. All these intriguing properties were verified experimentally. Particularly, the spatial profile of the reconstructed beam exhibits spatially sculpted optical structure with four siamesed curved arms. Thus, we anticipate that the structured beam will benefit optical guiding and optofluidics in surprising ways.

  11. All-optical symmetric ternary logic gate

    NASA Astrophysics Data System (ADS)

    Chattopadhyay, Tanay

    2010-09-01

    Symmetric ternary number (radix=3) has three logical states (1¯, 0, 1). It is very much useful in carry free arithmetical operation. Beside this, the logical operation using this type of number system is also effective in high speed computation and communication in multi-valued logic. In this literature all-optical circuits for three basic symmetrical ternary logical operations (inversion, MIN and MAX) are proposed and described. Numerical simulation verifies the theoretical model. In this present scheme the different ternary logical states are represented by different polarized state of light. Terahertz optical asymmetric demultiplexer (TOAD) based interferometric switch has been used categorically in this manuscript.

  12. Properties of a symmetric RHIC insertion

    SciTech Connect

    Lee, S.Y.

    1991-07-01

    This report evaluates the lattice functions of the symmetric insertion proposed by A.G. Ruggiero for the RHIC insertion. The crossing geometry, Inner and Outer matching sections, and chromatic properties are studied in detail. Some properties of the missing dipole dispersion correction scheme are also discussed. We found that the chromatic properties of the symmetric insertion is not better than the antisymmetric insertion. The problem is that the four family sextupole correction scheme seems not able to improve the chromatic distortion. Analytic understanding of the failure of the four family sextupole correction scheme will be very useful. 9 figs., 1 tab.

  13. Quantum fidelity of symmetric multipartite states

    NASA Astrophysics Data System (ADS)

    Neven, A.; Mathonet, P.; Gühne, O.; Bastin, T.

    2016-11-01

    For two symmetric quantum states one may be interested in maximizing the overlap under local operations applied to one of them. The question arises whether the maximal overlap can be obtained by applying the same local operation to each party. We show that for two symmetric multiqubit states and local unitary transformations this is the case; the maximal overlap can be reached by applying the same unitary matrix everywhere. For local invertible operations (stochastic local operations assisted by classical communication equivalence), however, we present counterexamples, demonstrating that considering the same operation everywhere is not enough.

  14. Observational tests of Baryon symmetric cosmology

    NASA Technical Reports Server (NTRS)

    Stecker, F. W.

    1982-01-01

    Observational evidence for Baryon symmetric (matter/antimatter) cosmology and future observational tests are reviewed. The most significant consequences of Baryon symmetric cosmology lie in the prediction of an observable cosmic background of gamma radiation from the decay of pi(0)-mesons produced in nucleon-antinucleon annihilations. Equations for the prediction of the amma ray background spectrum for the case of high redshifts are presented. The theoretical and observational plots of the background spectrum are shown to be in good agreement. Measurement of cosmic ray antiprotons and the use of high energy neutrino astronomy to look for antimatter elsewhere in the universe are also addressed.

  15. Spin superfluidity and coherent spin precession

    NASA Astrophysics Data System (ADS)

    Bunkov, Yuriy M.

    2009-04-01

    The spontaneous phase coherent precession of the magnetization in superfluid 3He-B was discovered experimentally in 1984 at the Institute for Physical Problems, Moscow by Borovik-Romanov, Bunkov, Dmitriev and Mukharsky and simultaneously explained theoretically by Fomin (Institut Landau, Moscow). Its formation is a direct manifestation of spin superfluidity. The latter is the magnetic counterpart of mass superfluidity and superconductivity. It is also an example of the Bose-Einstein condensation of spin-wave excitations (magnons). The coherent spin precession opened the way for investigations of spin supercurrent magnetization transport and other related phenomena, such as spin-current Josephson effect, process of phase slippage at a critical value of spin supercurrent, spin-current vortices, non-topological solitons (analogous to Q-balls in high energy physics) etc. New measuring techniques based on coherent spin precession made the investigation of mass counterflow and mass vortices possible owing to the spin-mass interaction. New phenomena were observed: mass-spin vortices, the Goldstone mode of the mass vortex with non-axisymmetric core, superfluid density anisotropy etc. Different types of coherent spin precession were later found in superfluid 3He-A and 3He-B confined in anisotropic aerogel, in the states with counterflow and in 3He with reduced magnetization. Finally, spin superfluidity investigations developed the basis for a modern investigation of electron spin supercurrent and spintronics.

  16. Synthetic fossilization of soft biological tissues and their shape-preserving transformation into silica or electron-conductive replicas

    PubMed Central

    Townson, Jason L.; Lin, Yu-Shen; Chou, Stanley S.; Awad, Yasmine H.; Coker, Eric N.; Brinker, C. Jeffrey; Kaehr, Bryan

    2014-01-01

    Structural preservation of complex biological systems from the subcellular to whole organism level in robust forms, enabling dissection and imaging while preserving 3D context, represents an enduring grand challenge in biology. Here we report a simple immersion method for structurally preserving intact organisms via conformal stabilization within silica. This self-limiting process, which we refer to as silica bioreplication, occurs by condensation of water-soluble silicic acid proximally to biomolecular interfaces throughout the organism. Conformal nanoscopic silicification of all biomolecular features imparts structural rigidity enabling the preservation of shape and nano-to-macroscale dimensional features upon drying to form a biocomposite and further high temperature oxidative calcination to form silica replicas or reductive pyrolysis to form electrically conductive carbon replicas of complete organisms. The simplicity and generalizability of this approach should facilitate efforts in biological preservation and analysis and could enable the development of new classes of biomimetic composite materials. PMID:25482611

  17. Synthetic fossilization of soft biological tissues and their shape-preserving transformation into silica or electron-conductive replicas

    NASA Astrophysics Data System (ADS)

    Townson, Jason L.; Lin, Yu-Shen; Chou, Stanley S.; Awad, Yasmine H.; Coker, Eric N.; Brinker, C. Jeffrey; Kaehr, Bryan

    2014-12-01

    Structural preservation of complex biological systems from the subcellular to whole organism level in robust forms, enabling dissection and imaging while preserving 3D context, represents an enduring grand challenge in biology. Here we report a simple immersion method for structurally preserving intact organisms via conformal stabilization within silica. This self-limiting process, which we refer to as silica bioreplication, occurs by condensation of water-soluble silicic acid proximally to biomolecular interfaces throughout the organism. Conformal nanoscopic silicification of all biomolecular features imparts structural rigidity enabling the preservation of shape and nano-to-macroscale dimensional features upon drying to form a biocomposite and further high temperature oxidative calcination to form silica replicas or reductive pyrolysis to form electrically conductive carbon replicas of complete organisms. The simplicity and generalizability of this approach should facilitate efforts in biological preservation and analysis and could enable the development of new classes of biomimetic composite materials.

  18. Synthetic fossilization of soft biological tissues and their shape-preserving transformation into silica or electron-conductive replicas.

    PubMed

    Townson, Jason L; Lin, Yu-Shen; Chou, Stanley S; Awad, Yasmine H; Coker, Eric N; Brinker, C Jeffrey; Kaehr, Bryan

    2014-12-08

    Structural preservation of complex biological systems from the subcellular to whole organism level in robust forms, enabling dissection and imaging while preserving 3D context, represents an enduring grand challenge in biology. Here we report a simple immersion method for structurally preserving intact organisms via conformal stabilization within silica. This self-limiting process, which we refer to as silica bioreplication, occurs by condensation of water-soluble silicic acid proximally to biomolecular interfaces throughout the organism. Conformal nanoscopic silicification of all biomolecular features imparts structural rigidity enabling the preservation of shape and nano-to-macroscale dimensional features upon drying to form a biocomposite and further high temperature oxidative calcination to form silica replicas or reductive pyrolysis to form electrically conductive carbon replicas of complete organisms. The simplicity and generalizability of this approach should facilitate efforts in biological preservation and analysis and could enable the development of new classes of biomimetic composite materials.

  19. Replica Analysis of Multiuser Detection for Code Division Multiple Access with M-Ary Phase-Shift Keying

    NASA Astrophysics Data System (ADS)

    Kato, Hiroyuki; Okada, Masato; Miyoshi, Seiji

    2013-07-01

    We analyze the performance of the maximizer of the posterior marginals (MPM) detector for code division multiple access (CDMA) multiuser detection with M-ary phase shift keying (M-ary PSK) in the large system limit by the replica method. The obtained theory agrees with computer simulation reasonably well. We also derive the theory in the case of the large M limit and discuss the dependence of the properties of M-ary PSK CDMA communication on M. We show that the waterfall phenomenon occurs for both the finite and infinite values of M. We also show that a value of M for which the decoded phase information on the original user symbol becomes minimum exists. Furthermore, we discuss the relationship between the theory based on the replica method and that based on self-consistent signal-to-noise analysis (SCSNA).

  20. Synthetic fossilization of soft biological tissues and their shape-preserving transformation into silica or electron-conductive replicas

    DOE PAGES

    Townson, Jason L.; Lin, Yu-Shen; Chou, Stanley S.; ...

    2014-12-08

    Structural preservation of complex biological systems from the subcellular to whole organism level in robust forms, enabling dissection and imaging while preserving 3D context, represents an enduring grand challenge in biology. Here we report a simple immersion method for structurally preserving intact organisms via conformal stabilization within silica. This self-limiting process, which we refer to as silica bioreplication, occurs by condensation of water-soluble silicic acid proximally to biomolecular interfaces throughout the organism. Conformal nanoscopic silicification of all biomolecular features imparts structural rigidity enabling the preservation of shape and nano-to-macroscale dimensional features upon drying to form a biocomposite and further highmore » temperature oxidative calcination to form silica replicas or reductive pyrolysis to form electrically conductive carbon replicas of complete organisms. Ultimately, the simplicity and generalizability of this approach should facilitate efforts in biological preservation and analysis and could enable the development of new classes of biomimetic composite materials.« less

  1. Synthetic fossilization of soft biological tissues and their shape-preserving transformation into silica or electron-conductive replicas

    SciTech Connect

    Townson, Jason L.; Lin, Yu-Shen; Chou, Stanley S.; Awad, Yasmine H.; Coker, Eric N.; Brinker, C. Jeffrey; Kaehr, Bryan

    2014-12-08

    Structural preservation of complex biological systems from the subcellular to whole organism level in robust forms, enabling dissection and imaging while preserving 3D context, represents an enduring grand challenge in biology. Here we report a simple immersion method for structurally preserving intact organisms via conformal stabilization within silica. This self-limiting process, which we refer to as silica bioreplication, occurs by condensation of water-soluble silicic acid proximally to biomolecular interfaces throughout the organism. Conformal nanoscopic silicification of all biomolecular features imparts structural rigidity enabling the preservation of shape and nano-to-macroscale dimensional features upon drying to form a biocomposite and further high temperature oxidative calcination to form silica replicas or reductive pyrolysis to form electrically conductive carbon replicas of complete organisms. Ultimately, the simplicity and generalizability of this approach should facilitate efforts in biological preservation and analysis and could enable the development of new classes of biomimetic composite materials.

  2. The motion and stability of a dual-spin satellite during the momentum wheel spin-up maneuver.

    NASA Technical Reports Server (NTRS)

    Sen, S.; Bainum, P. M.

    1973-01-01

    The stability of a dual-spin satellite system during the momentum wheel spin-up maneuver is treated both analytically and numerically. The dual-spin system consists of a slowly rotating or despun main body, a momentum wheel (or rotor) which is accelerated by a torque motor to change its initial angular velocity relative to the main part to some high terminal value, and a nutation damper. A closed-form solution for the case of a symmetrical satellite indicates that when the nutation damper is physically constrained from movement (i.e., by use of a mechanical clamp) the magnitude of the vector sum of the transverse angular velocity components remains bounded during the wheel spin-up under the influence of a constant motor torque. The analysis is extended to consider such effects as the motion of the nutation damper during spin-up, and the effect of a nonsymmetrical mass distribution.

  3. Quantification of velocity reduction after flow diverter placement in intracranial aneurysm: An ex vivo study with 3D printed replicas.

    PubMed

    Anderson, Jeff R; Klucznik, Richard; Diaz, Orlando; Zhang, Y Jonathan; Britz, Gavin W; Grossman, Robert G; Karmonik, Christof

    2015-01-01

    Phase contrast MRI (pcMRI) was used to measure flow before and after placement of a flow diverter (n = 3). Decreases from 18% to 31% in flow velocity were seen in the inflow jet of the aneurysms. Flow patterns were also compared. It was observed that the gross aneurysmal flow patterns were maintained after flow diverter placement despite decreased fluid velocities. All measurements were carried out in 3D printed aneurysm replicas.

  4. An investigation of the liquid to glass transition using integral equations for the pair structure of coupled replicae

    SciTech Connect

    Bomont, Jean-Marc; Hansen, Jean-Pierre; Pastore, Giorgio

    2014-11-07

    Extensive numerical solutions of the hypernetted-chain (HNC) and Rogers-Young (RY) integral equations are presented for the pair structure of a system of two coupled replicae (1 and 2) of a “soft-sphere” fluid of atoms interacting via an inverse-12 pair potential. In the limit of vanishing inter-replica coupling ε{sub 12}, both integral equations predict the existence of three branches of solutions: (1) A high temperature liquid branch (L), which extends to a supercooled regime upon cooling when the two replicae are kept at ε{sub 12} = 0 throughout; upon separating the configurational and vibrational contributions to the free energy and entropy of the L branch, the Kauzmann temperature is located where the configurational entropy vanishes. (2) Starting with an initial finite coupling ε{sub 12}, two “glass” branches G{sub 1} and G{sub 2} are found below some critical temperature, which are characterized by a strong remnant spatial inter-replica correlation upon taking the limit ε{sub 12} → 0. Branch G{sub 2} is characterized by an increasing overlap order parameter upon cooling, and may hence be identified with the hypothetical “ideal glass” phase. Branch G{sub 1} exhibits the opposite trend of increasing order parameter upon heating; its free energy lies consistently below that of the L branch and above that of the G{sub 2} branch. The free energies of the L and G{sub 2} branches are found to intersect at an alleged “random first-order transition” (RFOT) characterized by weak discontinuities of the volume and entropy. The Kauzmann and RFOT temperatures predicted by RY differ significantly from their HNC counterparts.

  5. Replica and extreme-value analysis of the Jarzynski free-energy estimator

    NASA Astrophysics Data System (ADS)

    Palassini, Matteo; Ritort, Felix

    2008-03-01

    We analyze the Jarzynski estimator of free-energy differences from nonequilibrium work measurements. By a simple mapping onto Derrida's Random Energy Model, we obtain a scaling limit for the expectation of the bias of the estimator. We then derive analytical approximations in three different regimes of the scaling parameter x = log(N)/W, where N is the number of measurements and W the mean dissipated work. Our approach is valid for a generic distribution of the dissipated work, and is based on a replica symmetry breaking scheme for x >> 1, the asymptotic theory of extreme value statistics for x << 1, and a direct approach for x near one. The combination of the three analytic approximations describes well Monte Carlo data for the expectation value of the estimator, for a wide range of values of N, from N=1 to large N, and for different work distributions. Based on these results, we introduce improved free-energy estimators and discuss the application to the analysis of experimental data.

  6. Replica exchange molecular dynamics simulations of coarse-grained proteins in implicit solvent.

    PubMed

    Chebaro, Yassmine; Dong, Xiao; Laghaei, Rozita; Derreumaux, Philippe; Mousseau, Normand

    2009-01-08

    Current approaches aimed at determining the free energy surface of all-atom medium-size proteins in explicit solvent are slow and are not sufficient to converge to equilibrium properties. To ensure a proper sampling of the configurational space, it is preferable to use reduced representations such as implicit solvent and/or coarse-grained protein models, which are much lighter computationally. Each model must be verified, however, to ensure that it can recover experimental structures and thermodynamics. Here we test the coarse-grained implicit solvent OPEP model with replica exchange molecular dynamics (REMD) on six peptides ranging in length from 10 to 28 residues: two alanine-based peptides, the second beta-hairpin from protein G, the Trp-cage and zinc-finger motif, and a dimer of a coiled coil peptide. We show that REMD-OPEP recovers the proper thermodynamics of the systems studied, with accurate structural description of the beta-hairpin and Trp-cage peptides (within 1-2 A from experiments). The light computational burden of REMD-OPEP, which enables us to generate many hundred nanoseconds at each temperature and fully assess convergence to equilibrium ensemble, opens the door to the determination of the free energy surface of larger proteins and assemblies.

  7. Comparison of Replica Exchange Simulations of a Kinetically Trapped Protein Conformational State and its Native Form.

    PubMed

    Olson, Mark A; Legler, Patricia M; Goldman, Ellen R

    2016-03-10

    Recently an X-ray crystallographic structure of a single-domain antibody was reported with the protein chain trapped in a rare homodimeric form. One of the conformers appears to exhibit a misfolded region, and thus presumably the configurational stability is less favorable. To investigate whether simulation methods can detect any difference between the conformers and buttress the notion that one conformation is trapped on a pathway that incurs lower activation energy to unfold, adaptive temperature-based replica exchange simulations were applied to each chain to model conformational transitions. Simulation results found that the observed crystallographic difference between the two chains in the complementarity determining region CDR2 induces a stark distinction in conformational populations on the energy landscape. An appraisal of the energetic difference between the CDR2 conformations at 300 K revealed a localized order-disorder free-energy transition of roughly equivalent to two peptide hydrogen bonds in solution. It was also found that interconversion between the conformers is slower than the rate to unfold and that near an unfolding transition temperature one conformer retained a greater fraction of native-like contacts and energy over a longer time span before fully populating the denatured state, thus verifying the coexistence of a metastable conformation in the crystallographic assembly.

  8. Replica-exchange Wang-Landau simulations of the H0P model of protein folding

    NASA Astrophysics Data System (ADS)

    Shi, Guangjie; Landau, David P.; Wüst, Thomas; Li, Ying Wai Li

    2015-03-01

    The hydrophobic-polar (HP) model has served as a coarse-grained lattice protein folding model attracting scientists from various disciplines. However, simplification into H and P monomers may yield high ground state degeneracies which stands in contrast to the generally unique native states of natural proteins. We propose a simple modification, by introducing a new type of ``neutral'' monomer, 0, i.e. neither hydrophobic nor polar, rendering the model more realistic without increasing the difficulties of sampling significantly. With the newly developed parallel Wang-Landau (replica exchange Wang-Landau) scheme and an innovative method of estimating the ground state degeneracies, we investigated some widely studied HP proteins and their H0P counterparts. Dramatic differences in ground state and thermodynamic properties have been observed, e.g. the estimation of ground state degeneracy for the 46mer is 460,000 for the HP version and only 20 for the H0P mapping. Similarly, the specific heat and structural properties: radius of gyration and etc. show more pronounced signals associated with folding. Supported by NSF.

  9. Replica exchange molecular dynamics study of the truncated amyloid beta (11-40) trimer in solution.

    PubMed

    Ngo, Son Tung; Hung, Huynh Minh; Truong, Duc Toan; Nguyen, Minh Tho

    2017-01-18

    Amyloid beta (Aβ) oligomers are neurotoxic compounds that destroy the brain of Alzheimer's disease patients. Recent studies indicated that the trimer is one of the most cytotoxic forms of low molecular weight Aβ oligomers. As there was limited information about the structure of the Aβ trimer, either by experiment or by computation, we determined in this work the structure of the 3Aβ11-40 oligomer for the first time using the temperature replica exchange molecular dynamics simulations in the presence of an explicit solvent. More than 20.0 μs of MD simulations were performed. The probability of the β-content and random coil structure of the solvated trimer amounts to 42 ± 6 and 49 ± 7% which is in good agreement with experiments. Intermolecular interactions in central hydrophobic cores play a key role in stabilizing the oligomer. Intermolecular polar contacts between D23 and residues 24-29 replace the salt bridge D23-K28 to secure the loop region. The hydrophilic region of the N-terminus is maintained by the intermolecular polar crossing contacts H13A-Q15B and H13B-Q15C. The difference in the free energy of binding between the constituting monomers and the others amounts to -36 ± 8 kcal mol(-1). The collision cross section of the representative structures of the trimer was computed to be 1330 ± 47 Å(2), which is in good agreement with previous experiments.

  10. Coexistence of Replica Bands and Superconductivity in FeSe Monolayer Films.

    PubMed

    Rebec, S N; Jia, T; Zhang, C; Hashimoto, M; Lu, D-H; Moore, R G; Shen, Z-X

    2017-02-10

    To elucidate the mechanisms behind the enhanced T_{c} in monolayer (1 ML) FeSe on SrTiO_{3} (STO), we grew highly strained 1 ML FeSe on the rectangular (100) face of rutile TiO_{2}, and observed the coexistence of replica bands and superconductivity with a T_{c} of 63 K. From the similar T_{c} between this system and 1ML FeSe on STO (001), we conclude that strain and dielectric constant are likely unimportant to the enhanced T_{c} in these systems. A systematic comparison of 1 ML FeSe on TiO_{2} with other systems in the FeSe family shows that while charge transfer alone can enhance T_{c}, it is only with the addition of interfacial electron-phonon coupling that T_{c} can be increased to the level seen in 1 ML FeSe on STO.

  11. Efficient Determination of Relative Entropy Using Combined Temperature and Hamiltonian Replica-Exchange Molecular Dynamics.

    PubMed

    Jo, Sunhwan; Chipot, Christophe; Roux, Benoît

    2015-05-12

    The performance and accuracy of different simulation schemes for estimating the entropy inferred from free energy calculations are tested. The results obtained from replica-exchange molecular dynamics (REMD) simulations based on a simplified toy model are compared to exact numerically derived ones to assess accuracy and convergence. It is observed that the error in entropy estimation decreases by at least an order of magnitude and the quantities of interest converge much faster when the simulations are coupled via a temperature REMD algorithm and the trajectories from different temperatures are combined. Simulations with the infinite-swapping method and its variants show some improvement over the traditional nearest-neighbor REMD algorithms, but they are more computationally expensive. To test the methodologies further, the free energy profile for the reversible association of two methane molecules in explicit water was calculated and decomposed into its entropic and enthalpic contributions. Finally, a strategy based on umbrella sampling computations carried out via simultaneous temperature and Hamiltonian REMD simulations is shown to yield the most accurate entropy estimation. The entropy profile between the two methane molecules displays the characteristic signature of a hydrophobic interaction.

  12. Solid volume fraction estimation of bone:marrow replica models using ultrasound transit time spectroscopy.

    PubMed

    Wille, Marie-Luise; Langton, Christian M

    2016-02-01

    The acceptance of broadband ultrasound attenuation (BUA) for the assessment of osteoporosis suffers from a limited understanding of both ultrasound wave propagation through cancellous bone and its exact dependence upon the material and structural properties. It has recently been proposed that ultrasound wave propagation in cancellous bone may be described by a concept of parallel sonic rays; the transit time of each ray defined by the proportion of bone and marrow propagated. A Transit Time Spectrum (TTS) describes the proportion of sonic rays having a particular transit time, effectively describing the lateral inhomogeneity of transit times over the surface aperture of the receive ultrasound transducer. The aim of this study was to test the hypothesis that the solid volume fraction (SVF) of simplified bone:marrow replica models may be reliably estimated from the corresponding ultrasound transit time spectrum. Transit time spectra were derived via digital deconvolution of the experimentally measured input and output ultrasonic signals, and compared to predicted TTS based on the parallel sonic ray concept, demonstrating agreement in both position and amplitude of spectral peaks. Solid volume fraction was calculated from the TTS; agreement between true (geometric calculation) with predicted (computer simulation) and experimentally-derived values were R(2)=99.9% and R(2)=97.3% respectively. It is therefore envisaged that ultrasound transit time spectroscopy (UTTS) offers the potential to reliably estimate bone mineral density and hence the established T-score parameter for clinical osteoporosis assessment.

  13. Protein-Ligand Binding from Distancefield Distances and Hamiltonian Replica Exchange Simulations.

    PubMed

    de Ruiter, Anita; Oostenbrink, Chris

    2013-02-12

    The calculation of protein-ligand binding free energies is an important goal in the field of computational chemistry. Applying path-sampling methods for this purpose involves calculating the associated potential of mean force (PMF) and gives insight into the binding free energy along the binding process. Without a priori knowledge about the binding path, sampling reversible binding can be difficult to achieve. To alleviate this problem, we introduce the distancefield (DF) as a reaction coordinate for such calculations. DF is a grid-based method in which the shortest distance between the binding site and a ligand is determined avoiding routes that pass through the protein. Combining this reaction coordinate with Hamiltonian replica exchange molecular dynamics (HREMD) allows for the reversible binding of the ligand to the protein. A comparison is made between umbrella sampling using regular distance restraints and HREMD with DF restraints to study aspirin binding to the protein phospholipase A2. Although the free energies of binding are similar for both methods, the increased sampling with HREMD has a significant influence on the shape of the PMF. A remarkable agreement between the calculated binding free energies from the PMF and the experimental estimate is obtained.

  14. Towards an optimal flow: Density-of-states-informed replica-exchange simulations

    DOE PAGES

    Vogel, Thomas; Perez, Danny

    2015-11-05

    Here we learn that replica exchange (RE) is one of the most popular enhanced-sampling simulations technique in use today. Despite widespread successes, RE simulations can sometimes fail to converge in practical amounts of time, e.g., when sampling around phase transitions, or when a few hard-to-find configurations dominate the statistical averages. We introduce a generalized RE scheme, density-of-states-informed RE, that addresses some of these challenges. The key feature of our approach is to inform the simulation with readily available, but commonly unused, information on the density of states of the system as the RE simulation proceeds. This enables two improvements, namely,more » the introduction of resampling moves that actively move the system towards equilibrium and the continual adaptation of the optimal temperature set. As a consequence of these two innovations, we show that the configuration flow in temperature space is optimized and that the overall convergence of RE simulations can be dramatically accelerated.« less

  15. Replica exchange Monte Carlo simulation of human serum albumin-catechin complexes.

    PubMed

    Li, Yunqi; An, Lijia; Huang, Qingrong

    2014-09-04

    Replica exchange Monte Carlo simulation equipped with an orientation-enhanced hydrophobic interaction was utilized to study the impacts of molar ratio and ionic strength on the complex formation of human serum albumin (HSA) and catechin. Only a small amount of catechins was found to act as bridges in the formation of HSA-catechin complexes. Selective binding behavior was observed at low catechin to HSA molar ratio (R). Increase of catechin amount can suppress HSA self-aggregation and diminish the selectivity of protein binding sites. Strong saturation binding with short-range interactions was found to level off at around 4.6 catechins per HSA on average, while this number slowly increased with R when long-range interactions were taken into account. Meanwhile, among the three rings of catechin, the 3,4-dihydroxyphenyl (B-ring) shows the strongest preference to bind HSA. Neither the aggregation nor the binding sites of the HSA-catechin complex was sensitive to ionic strength, suggesting that the electrostatic interaction is not a dominant force in such complexes. These results provide a further molecular level understanding of protein-polyphenol binding, and the strategy employed in this work shows a way to bridge phase behaviors at macroscale and the distribution of binding sites at residue level.

  16. Hydrogel Inverse Replicas of Breath Figures Exhibit Superoleophobicity Due to Patterned Surface Roughness.

    PubMed

    Arora, Jaspreet Singh; Cremaldi, Joseph C; Holleran, Mary Kathleen; Ponnusamy, Thiruselvam; He, Jibao; Pesika, Noshir S; John, Vijay T

    2016-02-02

    The wetting behavior of a surface depends on both its surface chemistry and the characteristics of surface morphology and topography. Adding structure to a flat hydrophobic or oleophobic surface increases the effective contact angle and thus the hydrophobicity or oleophobicity of the surface, as exemplified by the lotus leaf analogy. We describe a simple strategy to introduce micropatterned roughness on surfaces of soft materials, utilizing the template of hexagonally packed pores of breath figures as molds. The generated inverse replicas represent micron scale patterned beadlike protrusions on hydrogel surfaces. This added roughness imparts superoleophobic properties (contact angle of the order of 150° and greater) to an inherently oleophobic flat hydrogel surface, when submerged. The introduced pattern on the hydrogel surface changes morphology as it swells in water to resemble morphologies remarkably analogous to the compound eye. Analysis of the wetting behavior using the Cassie-Baxter approximation leads to estimation of the contact angle in the superoleophobic regime and in agreement with the experimental value.

  17. Improved Binding Free Energy Predictions from Single-Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange

    PubMed Central

    Khavrutskii, Ilja V.; Wallqvist, Anders

    2011-01-01

    Reliable predictions of relative binding free energies are essential in drug discovery, where chemists modify promising compounds with the aim of increasing binding affinity. Conventional Thermodynamic Integration (TI) approaches can estimate corresponding changes in binding free energies, but suffer from inadequate sampling due to ruggedness of the molecular energy surfaces. Here, we present an improved TI strategy for computing relative binding free energies of congeneric ligands. This strategy employs a specific, unphysical single-reference (SR) state and Hamiltonian replica exchange (HREX) to locally enhance sampling. We then apply this strategy to compute relative binding free energies of twelve ligands in the L99A mutant of T4 Lysozyme. Besides the ligands, our approach enhances hindered rotations of the important V111, as well as V87 and L118 sidechains. Concurrently, we devise practical strategies to monitor and improve HREX-SRTI efficiency. Overall, the HREX-SRTI results agree well (R2 = 0.76, RMSE = 0.3 kcal/mol) with available experimental data. When optimized for efficiency, the HREX-SRTI precision matches that of experimental measurements. PMID:22046108

  18. Diamond Opal-Replica Photonic Crystals and Graphitic Metallic Photonic Band Gap Structures: Fabrication and Properties

    NASA Astrophysics Data System (ADS)

    Zakhidov, A. A.; Baughman, R. H.; Iqbal, Z.; Khayrullin, I. I.; Ralchenko, V. G.

    1998-03-01

    We demonstrate a new method for the formation of photonic bandgap crystals that operate at optical wavelengths. This method involves the templating of a self-assempled SiO2 lattice with diamond, graphite, or amorphous forms of carbon, followed by the removal of the original SiO2 lattice matrix by chemical means. Such carbon opal replicas are the "air type" of photonic crystal (where air replaces silica spheres) that are most favourable for photonic bandgap formation. Surprisingly, the structure of the original opal lattice having a typical cubic lattice dimension of 250 nm) is reliably replicated down to the nanometer scale using either a diamond, graphite, or amorphous carbon templated material. The optical properties of these photonic bandgap crystals are reported and compared with both theory and experimental results on other types of opal-derived lattices that we have investigated. The graphitic reverse opal is the first example of a network type metallic photonic crystal for the optical domain, for which a large photonic bandgap have been predicted.

  19. Plasticity of 150-Loop in Influenza Neuraminidase Explored by Hamiltonian Replica Exchange Molecular Dynamics Simulations

    PubMed Central

    Han, Nanyu; Mu, Yuguang

    2013-01-01

    Neuraminidase (NA) of influenza is a key target for antiviral inhibitors, and the 150-cavity in group-1 NA provides new insight in treating this disease. However, NA of 2009 pandemic influenza (09N1) was found lacking this cavity in a crystal structure. To address the issue of flexibility of the 150-loop, Hamiltonian replica exchange molecular dynamics simulations were performed on different groups of NAs. Free energy landscape calculated based on the volume of 150-cavity indicates that 09N1 prefers open forms of 150-loop. The turn A (residues 147–150) of the 150-loop is discovered as the most dynamical motif which induces the inter-conversion of this loop among different conformations. In the turn A, the backbone dynamic of residue 149 is highly related with the shape of 150-loop, thus can function as a marker for the conformation of 150-loop. As a contrast, the closed conformation of 150-loop is more energetically favorable in N2, one of group-2 NAs. The D147-H150 salt bridge is found having no correlation with the conformation of 150-loop. Instead the intimate salt bridge interaction between the 150 and 430 loops in N2 variant contributes the stabilizing factor for the closed form of 150-loop. The clustering analysis elaborates the structural plasticity of the loop. This enhanced sampling simulation provides more information in further structural-based drug discovery on influenza virus. PMID:23593372

  20. Size-dependent Melting Behavior of Iron Nanoparticles by Replica Exchange Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Shu, Qiang; Yang, Yang; Zhai, Yingteng; Sun, Deyan; Xiang, Hongjun; Gong, Xingao

    2013-03-01

    Due to the finite size effect, nanoparticles own unique physical, chemical, and magnetic properties. Comparing with the bulk materials, the large surface/volume ratio of nanoparticles could lead to more complicate atomic and electronic behavior, thus the thermodynamical properties can be also very rich. In the last a few decades, as one of the fundamental problems in the nano science, the melting behavior of nanoparticles had been widely investigated by numerous experimental and theoretical studies. Using replica-exchange molecular dynamics method (REMD), we have investigated the size dependence of the melting behavior of iron nanoparticles. Comparing to the conventional molecular dynamics (MD), the REMD method is found to be very efficient to determine the melting point, by avoiding the superheating and undercooling phenomena. With accurate determination of the melting point, we find that the melting temperature does not follow linearly with the inverse of size. By incorporating the size dependent thickness of surface liquid layer which is observed in our simulation, we propose a revised liquid skin melting model to describe the size dependent melting temperature. Special Funds for Major State Basic Research, NSFC, MOE, Shanghai Municipality

  1. The Effect of Non-equispaced Sampling Instants, Sub-period Record Epochs, and Timebase Gain on the Information Content of Discretized Replicas of Periodic Signals

    PubMed Central

    Paulter, N. G.

    2012-01-01

    The effect of non-equispaced sampling instants and timebase gain on the information content of the discretized replica of a periodic signal is examined. The effect of the duration of record epochs that are not equal to an integer number of signal periods on the information content of the discretized replica is also explored. A general model describing sampled and windowed data is provided and compared to related models developed by other researchers. PMID:26900517

  2. Order parameter free enhanced sampling of the vapor-liquid transition using the generalized replica exchange method.

    PubMed

    Lu, Qing; Kim, Jaegil; Straub, John E

    2013-03-14

    The generalized Replica Exchange Method (gREM) is extended into the isobaric-isothermal ensemble, and applied to simulate a vapor-liquid phase transition in Lennard-Jones fluids. Merging an optimally designed generalized ensemble sampling with replica exchange, gREM is particularly well suited for the effective simulation of first-order phase transitions characterized by "backbending" in the statistical temperature. While the metastable and unstable states in the vicinity of the first-order phase transition are masked by the enthalpy gap in temperature replica exchange method simulations, they are transformed into stable states through the parameterized effective sampling weights in gREM simulations, and join vapor and liquid phases with a succession of unimodal enthalpy distributions. The enhanced sampling across metastable and unstable states is achieved without the need to identify a "good" order parameter for biased sampling. We performed gREM simulations at various pressures below and near the critical pressure to examine the change in behavior of the vapor-liquid phase transition at different pressures. We observed a crossover from the first-order phase transition at low pressure, characterized by the backbending in the statistical temperature and the "kink" in the Gibbs free energy, to a continuous second-order phase transition near the critical pressure. The controlling mechanisms of nucleation and continuous phase transition are evident and the coexistence properties and phase diagram are found in agreement with literature results.

  3. Analysis of the microtopography of the skin by silicone replicas after repeated exposure to actinic radiation at high altitudes.

    PubMed

    Mazzarello, V; Cametti, M; Leone, G; Iacovelli, P; Ena, P; Leigheb, G

    2001-05-01

    We investigated the superficial microtopography of the normal skin of 11 volunteers (not exposed to sunlight during the last 4 months), before and after sun exposure for 5 days at high altitudes of 2900-4559 m. The experiments were carried out on Mount Rosa in Italy, and cutaneous replicas using silicone resin were taken every day after 7 h of sun exposure. Casts were taken from the forehead, glabella, dorsum nasi, radial side (protected with a cream SPF 9.72) and ulnar side of the back of the hands, the only areas not protected. A total of 422 replicas were metallized with gold-palladium and observed under Zeiss 940A scanning electron microscope. The images were elaborated and analysed on computer with appropriate software supplying geometrical features of cutaneous surface using parameters proposed by Takahashi (1994). A Student's test for paired series was used to analyse the differences before and after 1-5 days of exposure giving uniform and significant data compared with controls. Using cutaneous replicas we demonstrated that repeated exposure of skin to sunlight in a short time elicits temporary defence mechanisms with increased obstruction of cutaneous pores, deepening of primary cutaneous furrows and shallowing of part of the secondary furrows; the two latter alterations are the consequence of reactive oedema.

  4. How different is a 3D-printed replica from a conspecific in the eyes of a zebrafish?

    PubMed

    Ruberto, Tommaso; Polverino, Giovanni; Porfiri, Maurizio

    2017-02-22

    Robotics is emerging as a promising tool for aiding research on animal behavior. The possibility of generating customizable, controllable, and standardized robotic stimuli has been demonstrated through a number of behavioral assays, involving vertebrates and invertebrates. However, the specific appraisal of the nature of robotic stimuli is currently lacking. Here, we attempt to evaluate this aspect in zebrafish, through a within-subject design in which experimental subjects are faced with three experimental conditions. In the first test, we investigated sociability by measuring zebrafish response to a conspecific separated by a one-way glass. In the second test, we studied zebrafish behavior in response to a 3D-printed zebrafish replica actuated along realistic trajectories through a novel four-degree-of-freedom robotic platform. Last, we investigated fear responses in a shelter-seeking test. In agreement with our expectations, zebrafish exhibited an equivalent preference for live and robotic stimuli, and the degree of preference for the robotic replica correlated negatively with the individual propensity to seek shelter. The equivalent preference for the replica and conspecific suggests that the appraisal of the target stimuli is analogous. The preliminary evidence of a correlation between behavioral responses across tests points to the readability of robotics-based approaches to investigate interindividual differences.

  5. Order parameter free enhanced sampling of the vapor-liquid transition using the generalized replica exchange method

    NASA Astrophysics Data System (ADS)

    Lu, Qing; Kim, Jaegil; Straub, John E.

    2013-03-01

    The generalized Replica Exchange Method (gREM) is extended into the isobaric-isothermal ensemble, and applied to simulate a vapor-liquid phase transition in Lennard-Jones fluids. Merging an optimally designed generalized ensemble sampling with replica exchange, gREM is particularly well suited for the effective simulation of first-order phase transitions characterized by "backbending" in the statistical temperature. While the metastable and unstable states in the vicinity of the first-order phase transition are masked by the enthalpy gap in temperature replica exchange method simulations, they are transformed into stable states through the parameterized effective sampling weights in gREM simulations, and join vapor and liquid phases with a succession of unimodal enthalpy distributions. The enhanced sampling across metastable and unstable states is achieved without the need to identify a "good" order parameter for biased sampling. We performed gREM simulations at various pressures below and near the critical pressure to examine the change in behavior of the vapor-liquid phase transition at different pressures. We observed a crossover from the first-order phase transition at low pressure, characterized by the backbending in the statistical temperature and the "kink" in the Gibbs free energy, to a continuous second-order phase transition near the critical pressure. The controlling mechanisms of nucleation and continuous phase transition are evident and the coexistence properties and phase diagram are found in agreement with literature results.

  6. The general equilibria of a spinning satellite in a circular orbit.

    NASA Technical Reports Server (NTRS)

    Sperling, H. J.

    1972-01-01

    Let a rigid satellite move in a circular orbit about a spherically symmetric central body, taking into account only the main term of the gravitational torque. We investigate and find all solutions of the following problem. Let the satellite be permitted to spin about an axis that is fixed in the orbit frame; the satellite need not be symmetric, the spin not uniform, and the spin axis not a principal axis of inertia. The complete discussion of this type of spin reveals that the cases found by Lagrange and by Pringle - and the well-known spin about a principal axis of inertia orthogonal to the orbit plane - are essentially the only ones possible.

  7. Geometry of spinning Ellis wormholes

    NASA Astrophysics Data System (ADS)

    Chew, Xiao Yan; Kleihaus, Burkhard; Kunz, Jutta

    2016-11-01

    We give a detailed account of the properties of spinning Ellis wormholes, supported by a phantom field. The general set of solutions depends on three parameters, associated with the size of the throat, the rotation, and the symmetry of the solutions. For symmetric wormholes the global charges possess the same values in both asymptotic regions, while this is no longer the case for nonsymmetric wormholes. We present mass formulas for these wormholes, study their quadrupole moments, and discuss the geometry of their throat and their ergoregion. We demonstrate, that these wormholes possess limiting configurations corresponding to an extremal Kerr black hole. Moreover, we analyze the geodesics of these wormholes, and show that they possess bound orbits.

  8. Super-symmetric informationally complete measurements

    SciTech Connect

    Zhu, Huangjun

    2015-11-15

    Symmetric informationally complete measurements (SICs in short) are highly symmetric structures in the Hilbert space. They possess many nice properties which render them an ideal candidate for fiducial measurements. The symmetry of SICs is intimately connected with the geometry of the quantum state space and also has profound implications for foundational studies. Here we explore those SICs that are most symmetric according to a natural criterion and show that all of them are covariant with respect to the Heisenberg–Weyl groups, which are characterized by the discrete analog of the canonical commutation relation. Moreover, their symmetry groups are subgroups of the Clifford groups. In particular, we prove that the SIC in dimension 2, the Hesse SIC in dimension 3, and the set of Hoggar lines in dimension 8 are the only three SICs up to unitary equivalence whose symmetry groups act transitively on pairs of SIC projectors. Our work not only provides valuable insight about SICs, Heisenberg–Weyl groups, and Clifford groups, but also offers a new approach and perspective for studying many other discrete symmetric structures behind finite state quantum mechanics, such as mutually unbiased bases and discrete Wigner functions.

  9. Onthe static and spherically symmetric gravitational field

    NASA Astrophysics Data System (ADS)

    Gottlieb, Ioan; Maftei, Gheorghe; Mociutchi, Cleopatra

    Starting from a generalization of Einstein 's theory of gravitation, proposed by one of the authors (Cleopatra Mociutchi), the authors study a particular spherical symmetric case. Among other one obtain the compatibility conditions for the existence of the static and spherically symmetruic gravitational filed in the case of extended Einstein equation.

  10. Convexity and symmetrization in relativistic theories

    NASA Astrophysics Data System (ADS)

    Ruggeri, T.

    1990-09-01

    There is a strong motivation for the desire to have symmetric hyperbolic field equations in thermodynamics, because they guarantee well-posedness of Cauchy problems. A generic quasi-linear first order system of balance laws — in the non-relativistic case — can be shown to be symmetric hyperbolic, if the entropy density is concave with respect to the variables. In relativistic thermodynamics this is not so. This paper shows that there exists a scalar quantity in relativistic thermodynamics whose concavity guarantees a symmetric hyperbolic system. But that quantity — we call it —bar h — is not the entropy, although it is closely related to it. It is formed by contracting the entropy flux vector — ha with a privileged time-like congruencebar ξ _α . It is also shown that the convexity of h plus the requirement that all speeds be smaller than the speed of light c provide symmetric hyperbolic field equations for all choices of the direction of time. At this level of generality the physical meaning of —h is unknown. However, in many circumstances it is equal to the entropy. This is so, of course, in the non-relativistic limit but also in the non-dissipative relativistic fluid and even in relativistic extended thermodynamics for a non-degenerate gas.

  11. Small diameter symmetric networks from linear groups

    NASA Technical Reports Server (NTRS)

    Campbell, Lowell; Carlsson, Gunnar E.; Dinneen, Michael J.; Faber, Vance; Fellows, Michael R.; Langston, Michael A.; Moore, James W.; Multihaupt, Andrew P.; Sexton, Harlan B.

    1992-01-01

    In this note is reported a collection of constructions of symmetric networks that provide the largest known values for the number of nodes that can be placed in a network of a given degree and diameter. Some of the constructions are in the range of current potential engineering significance. The constructions are Cayley graphs of linear groups obtained by experimental computation.

  12. The deuterium puzzle in the symmetric universe

    NASA Technical Reports Server (NTRS)

    Leroy, B.; Nicolle, J. P.; Schatzman, E.

    1973-01-01

    An attempt was made to use deuterium abundance in the symmetric universe to prove that no nucleosynthesis takes place during annihilation and therefore neutrons were loss before nucleosynthesis. Data cover nucleosynthesis during the radiative era, cross section estimates, maximum abundance of He-4 at the end of nucleosynthesis area, and loss rate.

  13. PT -symmetric model of immune response

    NASA Astrophysics Data System (ADS)

    Bender, Carl M.; Ghatak, Ananya; Gianfreda, Mariagiovanna

    2017-01-01

    The study of PT -symmetric physical systems began in 1998 as a complex generalization of conventional quantum mechanics, but beginning in 2007 experiments began to be published in which the predicted PT phase transition was clearly observed in classical rather than in quantum-mechanical systems. This paper examines the classical PT phase transition in dynamical-system models that are moderately accurate representations of antigen-antibody systems. A surprising conclusion that can be drawn from these models is that it might be possible treat a serious disease in which the antigen concentration grows out of bounds (and the host dies) by injecting a small dose of a second (different) antigen. In this case a PT -symmetric analysis shows there are two possible favorable outcomes. In the unbroken-PT -symmetric phase the disease becomes chronic and is no longer lethal, while in the appropriate broken-PT -symmetric phase the concentration of lethal antigen goes to zero and the disease is completely cured.

  14. Dissociative recombination of highly symmetric polyatomic ions.

    PubMed

    Douguet, Nicolas; Orel, Ann E; Greene, Chris H; Kokoouline, Viatcheslav

    2012-01-13

    A general first-principles theory of dissociative recombination is developed for highly symmetric molecular ions and applied to H(3)O(+) and CH(3)(+), which play an important role in astrophysical, combustion, and laboratory plasma environments. The theoretical cross sections obtained for the dissociative recombination of the two ions are in good agreement with existing experimental data from storage ring experiments.

  15. Resonances for Symmetric Two-Barrier Potentials

    ERIC Educational Resources Information Center

    Fernandez, Francisco M.

    2011-01-01

    We describe a method for the accurate calculation of bound-state and resonance energies for one-dimensional potentials. We calculate the shape resonances for symmetric two-barrier potentials and compare them with those coming from the Siegert approximation, the complex scaling method and the box-stabilization method. A comparison of the…

  16. Super-symmetric informationally complete measurements

    NASA Astrophysics Data System (ADS)

    Zhu, Huangjun

    2015-11-01

    Symmetric informationally complete measurements (SICs in short) are highly symmetric structures in the Hilbert space. They possess many nice properties which render them an ideal candidate for fiducial measurements. The symmetry of SICs is intimately connected with the geometry of the quantum state space and also has profound implications for foundational studies. Here we explore those SICs that are most symmetric according to a natural criterion and show that all of them are covariant with respect to the Heisenberg-Weyl groups, which are characterized by the discrete analog of the canonical commutation relation. Moreover, their symmetry groups are subgroups of the Clifford groups. In particular, we prove that the SIC in dimension 2, the Hesse SIC in dimension 3, and the set of Hoggar lines in dimension 8 are the only three SICs up to unitary equivalence whose symmetry groups act transitively on pairs of SIC projectors. Our work not only provides valuable insight about SICs, Heisenberg-Weyl groups, and Clifford groups, but also offers a new approach and perspective for studying many other discrete symmetric structures behind finite state quantum mechanics, such as mutually unbiased bases and discrete Wigner functions.

  17. On the Complex Symmetric and Skew-Symmetric Operators with a Simple Spectrum

    NASA Astrophysics Data System (ADS)

    Zagorodnyuk, Sergey M.

    2011-02-01

    In this paper we obtain necessary and sufficient conditions for a linear bounded operator in a Hilbert space H to have a three-diagonal complex symmetric matrix with non-zero elements on the first sub-diagonal in an orthonormal basis in H. It is shown that a set of all such operators is a proper subset of a set of all complex symmetric operators with a simple spectrum. Similar necessary and sufficient conditions are obtained for a linear bounded operator in H to have a three-diagonal complex skew-symmetric matrix with non-zero elements on the first sub-diagonal in an orthonormal basis in H.

  18. Type-dependent stochastic Ising model describing the dynamics of a non-symmetric feedback module.

    PubMed

    Gonzalez-Navarrete, Manuel

    2016-10-01

    We study an alternative approach to model the dynamical behaviors of biological feedback loop, that is, a type-dependent spin system, this class of stochastic models was introduced by Fernández et. al [13], and are useful since take account to inherent variability of gene expression. We analyze a non-symmetric feedback module being an extension for the repressilator, the first synthetic biological oscillator, invented by Elowitz and Leibler [7]. We consider a mean-field dynamics for a type-dependent Ising model, and then study the empirical-magnetization vector representing concentration of molecules. We apply a convergence result from stochastic jump processes to deterministic trajectories and present a bifurcation analysis for the associated dynamical system. We show that non-symmetric module under study can exhibit very rich behaviours, including the empirical oscillations described by repressilator.

  19. Hamiltonian of a spinning test particle in curved spacetime

    SciTech Connect

    Barausse, Enrico; Racine, Etienne; Buonanno, Alessandra

    2009-11-15

    Using a Legendre transformation, we compute the unconstrained Hamiltonian of a spinning test particle in a curved spacetime at linear order in the particle spin. The equations of motion of this unconstrained Hamiltonian coincide with the Mathisson-Papapetrou-Pirani equations. We then use the formalism of Dirac brackets to derive the constrained Hamiltonian and the corresponding phase space algebra in the Newton-Wigner spin supplementary condition, suitably generalized to curved spacetime, and find that the phase space algebra (q,p,S) is canonical at linear order in the particle spin. We provide explicit expressions for this Hamiltonian in a spherically symmetric spacetime, both in isotropic and spherical coordinates, and in the Kerr spacetime in Boyer-Lindquist coordinates. Furthermore, we find that our Hamiltonian, when expanded in post-Newtonian (PN) orders, agrees with the Arnowitt-Deser-Misner canonical Hamiltonian computed in PN theory in the test particle limit. Notably, we recover the known spin-orbit couplings through 2.5PN order and the spin-spin couplings of type S{sub Kerr}S (and S{sub Kerr}{sup 2}) through 3PN order, S{sub Kerr} being the spin of the Kerr spacetime. Our method allows one to compute the PN Hamiltonian at any order, in the test particle limit and at linear order in the particle spin. As an application we compute it at 3.5PN order.

  20. Exact solution of the one-dimensional super-symmetric t-J model with unparallel boundary fields

    NASA Astrophysics Data System (ADS)

    Zhang, Xin; Cao, Junpeng; Yang, Wen-Li; Shi, Kangjie; Wang, Yupeng

    2014-04-01

    The exact solution of the one-dimensional super-symmetric t-J model under generic integrable boundary conditions is obtained via the Bethe ansatz methods. With the coordinate Bethe ansatz, the corresponding R-matrix and K-matrices are derived for the second eigenvalue problem associated with spin degrees of freedom. It is found that the second eigenvalue problem can be transformed into that of the transfer matrix of the inhomogeneous XXX spin chain, which allows us to obtain the spectrum of the Hamiltonian and the associated Bethe ansatz equations by the off-diagonal Bethe ansatz method.

  1. Quantum Adiabatic Algorithms and Large Spin Tunnelling

    NASA Technical Reports Server (NTRS)

    Boulatov, A.; Smelyanskiy, V. N.

    2003-01-01

    We provide a theoretical study of the quantum adiabatic evolution algorithm with different evolution paths proposed in this paper. The algorithm is applied to a random binary optimization problem (a version of the 3-Satisfiability problem) where the n-bit cost function is symmetric with respect to the permutation of individual bits. The evolution paths are produced, using the generic control Hamiltonians H (r) that preserve the bit symmetry of the underlying optimization problem. In the case where the ground state of H(0) coincides with the totally-symmetric state of an n-qubit system the algorithm dynamics is completely described in terms of the motion of a spin-n/2. We show that different control Hamiltonians can be parameterized by a set of independent parameters that are expansion coefficients of H (r) in a certain universal set of operators. Only one of these operators can be responsible for avoiding the tunnelling in the spin-n/2 system during the quantum adiabatic algorithm. We show that it is possible to select a coefficient for this operator that guarantees a polynomial complexity of the algorithm for all problem instances. We show that a successful evolution path of the algorithm always corresponds to the trajectory of a classical spin-n/2 and provide a complete characterization of such paths.

  2. Higher order explicit symmetric integrators for inseparable forms of coordinates and momenta

    NASA Astrophysics Data System (ADS)

    Liu, Lei; Wu, Xin; Huang, Guoqing; Liu, Fuyao

    2016-06-01

    Pihajoki proposed the extended phase-space second-order explicit symmetric leapfrog methods for inseparable Hamiltonian systems. On the basis of this work, we survey a critical problem on how to mix the variables in the extended phase space. Numerical tests show that sequent permutations of coordinates and momenta can make the leapfrog-like methods yield the most accurate results and the optimal long-term stabilized error behaviour. We also present a novel method to construct many fourth-order extended phase-space explicit symmetric integration schemes. Each scheme represents the symmetric production of six usual second-order leapfrogs without any permutations. This construction consists of four segments: the permuted coordinates, triple product of the usual second-order leapfrog without permutations, the permuted momenta and the triple product of the usual second-order leapfrog without permutations. Similarly, extended phase-space sixth, eighth and other higher order explicit symmetric algorithms are available. We used several inseparable Hamiltonian examples, such as the post-Newtonian approach of non-spinning compact binaries, to show that one of the proposed fourth-order methods is more efficient than the existing methods; examples include the fourth-order explicit symplectic integrators of Chin and the fourth-order explicit and implicit mixed symplectic integrators of Zhong et al. Given a moderate choice for the related mixing and projection maps, the extended phase-space explicit symplectic-like methods are well suited for various inseparable Hamiltonian problems. Samples of these problems involve the algorithmic regularization of gravitational systems with velocity-dependent perturbations in the Solar system and post-Newtonian Hamiltonian formulations of spinning compact objects.

  3. Thermodynamic Identities and Symmetry Breaking in Short-Range Spin Glasses.

    PubMed

    Arguin, L-P; Newman, C M; Stein, D L

    2015-10-30

    We present a technique to generate relations connecting pure state weights, overlaps, and correlation functions in short-range spin glasses. These are obtained directly from the unperturbed Hamiltonian and hold for general coupling distributions. All are satisfied in phases with simple thermodynamic structure, such as the droplet-scaling and chaotic pairs pictures. If instead nontrivial mixed-state pictures hold, the relations suggest that replica symmetry is broken as described by a Derrida-Ruelle cascade, with pure state weights distributed as a Poisson-Dirichlet process.

  4. Thermodynamic Identities and Symmetry Breaking in Short-Range Spin Glasses

    NASA Astrophysics Data System (ADS)

    Arguin, L.-P.; Newman, C. M.; Stein, D. L.

    2015-10-01

    We present a technique to generate relations connecting pure state weights, overlaps, and correlation functions in short-range spin glasses. These are obtained directly from the unperturbed Hamiltonian and hold for general coupling distributions. All are satisfied in phases with simple thermodynamic structure, such as the droplet-scaling and chaotic pairs pictures. If instead nontrivial mixed-state pictures hold, the relations suggest that replica symmetry is broken as described by a Derrida-Ruelle cascade, with pure state weights distributed as a Poisson-Dirichlet process.

  5. Entanglement entropy and topological order in resonating valence-bond quantum spin liquids

    NASA Astrophysics Data System (ADS)

    Wildeboer, Julia; Seidel, Alexander; Melko, Roger G.

    2017-03-01

    On the triangular and kagome lattices, short-ranged resonating valence-bond wave functions can be sampled without the sign problem using a recently developed Pfaffian Monte Carlo scheme. In this Rapid Communication, we study the Renyi entanglement entropy in these wave functions using a replica-trick method. Using various spatial bipartitions, including the Levin-Wen construction, our finite-size scaled Renyi entropy gives a topological contribution consistent with γ =ln(2 ) , as expected for a gapped Z2 quantum spin liquid. We prove that the mutual statistics is consistent with the toric code anyon model and rule out any other quasiparticle statistics such as the double semion model.

  6. Spin-Spin Coupling in Asteroidal Binaries

    NASA Astrophysics Data System (ADS)

    Batygin, Konstantin; Morbidelli, Alessandro

    2015-11-01

    Gravitationally bound binaries constitute a substantial fraction of the small body population of the solar system, and characterization of their rotational states is instrumental to understanding their formation and dynamical evolution. Unlike planets, numerous small bodies can maintain a perpetual aspheroidal shape, giving rise to a richer array of non-trivial gravitational dynamics. In this work, we explore the rotational evolution of triaxial satellites that orbit permanently deformed central objects, with specific emphasis on quadrupole-quadrupole interactions. Our analysis shows that in addition to conventional spin-orbit resonances, both prograde and retrograde spin-spin resonances naturally arise for closely orbiting, highly deformed bodies. Application of our results to the illustrative examples of (87) Sylvia and (216) Kleopatra multi-asteroid systems implies capture probabilities slightly below ~10% for leading-order spin-spin resonances. Cumulatively, our results suggest that spin-spin coupling may be consequential for highly elongated, tightly orbiting binary objects.

  7. Spin liquid and infinitesimal-disorder-driven cluster spin glass in the kagome lattice

    NASA Astrophysics Data System (ADS)

    Schmidt, M.; Zimmer, F. M.; Magalhaes, S. G.

    2017-04-01

    The interplay between geometric frustration (GF) and bond disorder is studied in the Ising kagome lattice within a cluster approach. The model considers antiferromagnetic short-range couplings and long-range intercluster disordered interactions. The replica formalism is used to obtain an effective single cluster model from where the thermodynamics is analyzed by exact diagonalization. We found that the presence of GF can introduce cluster freezing at very low levels of disorder. The system exhibits an entropy plateau followed by a large entropy drop close to the freezing temperature. In this scenario, a spin-liquid (SL) behavior prevents conventional long-range order, but an infinitesimal disorder picks out uncompensated cluster states from the multi-degenerate SL regime, potentializing the intercluster-disordered coupling and bringing the cluster spin-glass state. To summarize, our results suggest that the SL state combined with low levels of disorder can activate small clusters, providing hypersensitivity to the freezing process in geometrically frustrated materials and playing a key role in the glassy stabilization. We propose that this physical mechanism could be present in several geometrically frustrated materials. In particular, we discuss our results in connection with the recent experimental investigations of the Ising kagome compound Co3Mg(OH)6Cl2.

  8. Spin liquid and infinitesimal-disorder-driven cluster spin glass in the kagome lattice.

    PubMed

    Schmidt, M; Zimmer, F M; Magalhaes, S G

    2017-04-26

    The interplay between geometric frustration (GF) and bond disorder is studied in the Ising kagome lattice within a cluster approach. The model considers antiferromagnetic short-range couplings and long-range intercluster disordered interactions. The replica formalism is used to obtain an effective single cluster model from where the thermodynamics is analyzed by exact diagonalization. We found that the presence of GF can introduce cluster freezing at very low levels of disorder. The system exhibits an entropy plateau followed by a large entropy drop close to the freezing temperature. In this scenario, a spin-liquid (SL) behavior prevents conventional long-range order, but an infinitesimal disorder picks out uncompensated cluster states from the multi-degenerate SL regime, potentializing the intercluster-disordered coupling and bringing the cluster spin-glass state. To summarize, our results suggest that the SL state combined with low levels of disorder can activate small clusters, providing hypersensitivity to the freezing process in geometrically frustrated materials and playing a key role in the glassy stabilization. We propose that this physical mechanism could be present in several geometrically frustrated materials. In particular, we discuss our results in connection with the recent experimental investigations of the Ising kagome compound Co3Mg(OH)6Cl2.

  9. High-Resolution Infrared Spectroscopy Slit-Jet Cooled Hydroxymethyl Radical (CH_2OH): CH Symmetric Stretching Mode

    NASA Astrophysics Data System (ADS)

    Wang, Fang; Chang, Chih-Hsuan; Nesbitt, David

    2014-06-01

    Hydroxymethyl radical (CH_2OH) plays an important role in combustion and environmental chemistry as a reactive intermediate. Reisler's group published the first rotationally resolved spectroscopy of CH_2OH with determined band origins for fundamental CH symmetric stretch state, CH asymmetric stretch state and OH stretch state, respectively. Here CH_2OH was first studied via sub-Doppler infrared spectroscopy in a slit-jet supersonic discharge expansion source. Rotationally resolved direct absorption spectra in the CH symmetric stretching mode were recorded. As a result of the low rotational temperature and sub-Doppler linewidths, the tunneling splittings due to the large amplitude of COH torsion slightly complicate the spectra. Each of the ground vibration state and the CH symmetric stretch state includes two levels. One level, with a 3:1 nuclear spin statistic ratio for Ka=0+/Ka=1+, is labeled as ``+". The other tunneling level, labeled as ``-", has Ka=0-/Ka=1- states with 1:3 nuclear spin statistics. Except for the Ka=0+ ← 0+ band published before, more bands (Ka=1+ ← 1+, Ka=0- ← 0- and Ka=1- ← 1-) were identified. The assigned transitions were fit to a Watson A-reduced symmetric top Hamiltonian to improve the accuracy of the band origin of CH symmetric state. The rotational parameters for both ground and CH symmetric stretch state were well determined. L. Feng, J. Wei and H. Reisler, J. Phys. Chem. A, Vol. 108. M. A. Roberts, E. N. Sharp-Williams and D. J. Nesbitt, J. Phys. Chem. A 2013, 117, 7042-7049

  10. RHIC SPIN FLIPPER

    SciTech Connect

    BAI,M.; ROSER, T.

    2007-06-25

    This paper proposes a new design of spin flipper for RHIC to obtain full spin flip with the spin tune staying at half integer. The traditional technique of using an rf dipole or solenoid as spin flipper to achieve full spin flip in the presence of full Siberian snake requires one to change the snake configuration to move the spin tune away from half integer. This is not practical for an operational high energy polarized proton collider like RHIC where beam lifetime is sensitive to small betatron tune change. The design of the new spin flipper as well as numerical simulations are presented.

  11. Spin-1 quantum walks

    NASA Astrophysics Data System (ADS)

    Morita, Daichi; Kubo, Toshihiro; Tokura, Yasuhiro; Yamashita, Makoto

    2016-06-01

    We study the quantum walks of two interacting spin-1 bosons. We derive an exact solution for the time-dependent wave function, which describes the two-particle dynamics governed by the one-dimensional spin-1 Bose-Hubbard model. We show that propagation dynamics in real space and mixing dynamics in spin space are correlated via the spin-dependent interaction in this system. The spin-mixing dynamics has two characteristic frequencies in the limit of large spin-dependent interactions. One of the characteristic frequencies is determined by the energy difference between two bound states, and the other frequency relates to the cotunneling process of a pair of spin-1 bosons. Furthermore, we numerically analyze the growth of the spin correlations in quantum walks. We find that long-range spin correlations emerge showing a clear dependence on the sign of the spin-dependent interaction and the initial state.

  12. Reentrant enhancement of quantum fluctuations for symmetric environmental coupling.

    PubMed

    Cuccoli, Alessandro; Del Sette, Niccolò; Vaia, Ruggero

    2010-04-01

    The system-plus-reservoir (SPR) model is the most common and effective approach to study quantum dissipative effects. Indeed, it makes quantization possible by considering the whole energy-conserving system, while the reservoir's degrees of freedom, assumed to be harmonic, can be traced out by the path-integral technique, leading to a formulation that only includes the system of interest. In the standard SPR model the environment is only coupled with the system's coordinate and turns out to quench its quantum fluctuations. However, there are physical systems coupled with an environment whose "coordinates" and "momenta" can be completely interchangeable (e.g., magnets), so an SPR coupling must symmetrically affect both canonical variables. In this paper such a general environmental coupling is studied in the case of a harmonic oscillator. It is found that quantum fluctuations are generally enhanced by environmental coupling with an unexpected nonmonotonic behavior. This leads one to speculate about the possibility that spin-lattice coupling could drive the two-dimensional Heisenberg antiferromagnet to reach its quantum-critical point.

  13. On the origin of the shallow and "replica" bands in FeSe monolayer superconductors

    NASA Astrophysics Data System (ADS)

    Nekrasov, I. A.; Pavlov, N. S.; Sadovskii, M. V.

    2017-03-01

    We compare electronic structures of single FeSe layer films on SrTiO3 substrate (FeSe/STO) and K x Fe2-y Se2 superconductors obtained from extensive LDA and LDA+DMFT calculations with the results of ARPES experiments. It is demonstrated that correlation effects on Fe-3d states are sufficient in principle to explain the formation of the shallow electron-like bands at the M(X)-point. However, in FeSe/STO these effects alone are apparently insufficient for the simultaneous elimination of the hole-like Fermi surface around the Γ-point which is not observed in ARPES experiments. Detailed comparison of ARPES detected and calculated quasiparticle bands shows reasonable agreement between theory and experiment. Analysis of the bands with respect to their origin and orbital composition shows, that for FeSe/STO system the experimentally observed "replica" quasiparticle band at the M-point (usually attributed to forward scattering interactions with optical phonons in SrTiO3 substrate) can be reasonably understood just as the LDA calculated Fe-3d xy band, renormalized by electronic correlations. The only manifestation of the substrate reduces to lifting the degeneracy between Fe-3d xz and Fe-3d yz bands in the vicinity of M-point. For the case of K x Fe2-y Se2 most bands observed in ARPES can also be understood as correlation renormalized Fe-3d LDA calculated bands, with overall semi-quantitative agreement with LDA+DMFT calculations.

  14. FTIR study of ageing of fast drying oil colour (FDOC) alkyd paint replicas

    NASA Astrophysics Data System (ADS)

    Duce, Celia; Della Porta, Valentina; Tiné, Maria Rosaria; Spepi, Alessio; Ghezzi, Lisa; Colombini, Maria Perla; Bramanti, Emilia

    2014-09-01

    We propose ATR-FTIR spectroscopy for the characterization of the spectral changes in alkyd resin from the Griffin Alkyd Fast Drying Oil Colour range (Winsor & Newton), occurring over 550 days (∼18 months) of natural ageing and over six months of artificial ageing under an acetic acid atmosphere. Acetic acid is one of the atmospheric pollutants found inside museums in concentrations that can have a significant effect on the works exhibited. During natural ageing we observed an increase and broadening of the OH group band around 3300 cm-1 and an increase in bands in the region 1730-1680 cm-1 due to carbonyl stretching. We found a broad band around 1635 cm-1 likely due to Cdbnd O stretching vibrations of β dichetons. These spectral changes are the result of autooxidation reactions during natural ageing and crosslinking, which then form f alcohols and carbonyl species. The increase in absorbance at 1635 cm-1 was selected as a parameter to monitor the ageing process of paintings prepared with FDOC, without the need for any extractive procedure. FTIR spectra of paint replicas kept under an acetic acid atmosphere indicated the chemical groups involved in the reaction with acid, thus suggesting which spectral FTIR regions could be investigated in order to follow any degradation in real paintings. A red paint sample from a hyper-realistic artwork (“Racconta storie”, 2003) by the Italian painter Patrizia Zara was investigated by FTIR in order to evaluate the effects of 10 years natural ageing on alkyd colours. The results obtained suggested that after the end of chemical drying (autooxidation), alkyd colours are very stable.

  15. High-pressure replica technique for in vitro imaging of pore morphologies in teeth.

    PubMed

    Uchtmann, H; Wilkie, D

    1997-11-01

    The presence of a natural pore morphology is an essential factor in chemical and mechanical stability of teeth. Common histological methods give only an insufficient picture of the three-dimensional pore distribution in sound or carious teeth. This paper describes a new technique to obtain complete images of the pore structure in teeth or other biological hard tissues. Whole extracted human teeth from orthodontic therapy are mechanically cleaned and organic remnants removed chemically. After being (partly) dried, the teeth are penetrated by a freshly prepared and colored (rhodamine B dye) two-component epoxy resin. The resin is pressed into the pores and cavities of the teeth with pressures of up to 2000 bar in a high-pressure vessel by means of a manually driven piston screw pump for pressure generation. The resin fills all hollow spaces of the tooth down to sizes below 0.1 micron. The pulp and the root canals are cast in massive forms of the hardened epoxy resin, giving an exact replica of the natural structure. The penetrated samples in the form of whole, intact teeth are investigated microscopically so that the pore morphology of the tooth surface, including carious defects, can be examined. The structure of the pores extending into the interior of the tooth can be made visible by dissolution of the hard tissue--for example, in acid solutions. Micro-cavities filled with the resin are observed in thin, ground, and polished cross- and longitudinal sections cut from the teeth. The colored resin induces a high contrast to the dental apatite material. In fluorescence microscopy, only the resin structures are visible.

  16. FTIR study of ageing of fast drying oil colour (FDOC) alkyd paint replicas.

    PubMed

    Duce, Celia; Della Porta, Valentina; Tiné, Maria Rosaria; Spepi, Alessio; Ghezzi, Lisa; Colombini, Maria Perla; Bramanti, Emilia

    2014-09-15

    We propose ATR-FTIR spectroscopy for the characterization of the spectral changes in alkyd resin from the Griffin Alkyd Fast Drying Oil Colour range (Winsor & Newton), occurring over 550 days (∼18 months) of natural ageing and over six months of artificial ageing under an acetic acid atmosphere. Acetic acid is one of the atmospheric pollutants found inside museums in concentrations that can have a significant effect on the works exhibited. During natural ageing we observed an increase and broadening of the OH group band around 3300 cm(-1) and an increase in bands in the region 1730-1680 cm(-1) due to carbonyl stretching. We found a broad band around 1635 cm(-1) likely due to CO stretching vibrations of β dichetons. These spectral changes are the result of autooxidation reactions during natural ageing and crosslinking, which then form f alcohols and carbonyl species. The increase in absorbance at 1635 cm(-1) was selected as a parameter to monitor the ageing process of paintings prepared with FDOC, without the need for any extractive procedure. FTIR spectra of paint replicas kept under an acetic acid atmosphere indicated the chemical groups involved in the reaction with acid, thus suggesting which spectral FTIR regions could be investigated in order to follow any degradation in real paintings. A red paint sample from a hyper-realistic artwork ("Racconta storie", 2003) by the Italian painter Patrizia Zara was investigated by FTIR in order to evaluate the effects of 10 years natural ageing on alkyd colours. The results obtained suggested that after the end of chemical drying (autooxidation), alkyd colours are very stable.

  17. Hierarchic micro-patterned porous scaffolds via electrochemical replica-deposition enhance neo-vascularization.

    PubMed

    Varoni, Elena Maria; Altomare, Lina; Cochis, Andrea; GhalayaniEsfahani, Arash; Cigada, Alberto; Rimondini, Lia; De Nardo, Luigi

    2016-04-21

    Neo-vascularization is a key factor in tissue regeneration within porous scaffolds. Here, we tested the hypothesis that micro-patterned scaffolds, with precisely-designed, open micro-channels, might help endothelial cells to produce intra-scaffold vascular networks. Three series of micro-patterned scaffolds were produced via electrochemical replica-deposition of chitosan and cross-linking. All had regularly-oriented micro-channels (ϕ 500 μm), which differed for the inter-channel spacing, at 600, 700, or 900 μm, respectively. Random-pore scaffolds, using the same technique, were taken as controls. Physical-mechanical characterization revealed high water uptake and favorable elastic mechanical behavior for all scaffolds, slightly reduced in the presence of cross-linking and enhanced with the 700 μm-spaced micro-pattern. At MTT assay, mouse endothelial cell viability was >90% at day 1, 3 and 7, confirmed by visual examination with scanning electron microscopy (SEM). Intra-scaffold cell density, at fluorescence analysis, was higher for the 600 μm-spaced and the 700 μm-spaced micro-patterns over the others. The 700 μm-spaced scaffold was selected for the in vivo testing, to be compared to the random-pore one. Neither type produced an inflammatory reaction; both showed excellent tissue ingrowth. Micro-patterned scaffolds enhanced neo-vascularization, demonstrated by immunofluorescent, semi-quantitative analyses. These findings support the use of micro-patterned porous scaffolds, with adequately spaced micro-channels, to promote neo-vascularization.

  18. Generic fixed point model for pseudo-spin-1/2 quantum dots in nonequilibrium: Spin-valve systems with compensating spin polarizations

    NASA Astrophysics Data System (ADS)

    Göttel, Stefan; Reininghaus, Frank; Schoeller, Herbert

    2015-07-01

    We study a pseudo-spin-1/2 quantum dot in the cotunneling regime close to the particle-hole symmetric point. For a generic tunneling matrix we find a fixed point with interesting nonequilibrium properties, characterized by effective reservoirs with compensating spin orientation vectors weighted by the polarizations and the tunneling rates. At large bias voltage we study the magnetic field dependence of the dot magnetization and the current. The fixed point can be clearly identified by analyzing the magnetization of the dot. We characterize the universal properties for the case of two reservoirs and discuss deviations from the fixed point model in experimentally realistic situations.

  19. Time reversal symmetric topological exciton condensate in bilayer HgTe quantum wells.

    PubMed

    Budich, Jan Carl; Trauzettel, Björn; Michetti, Paolo

    2014-04-11

    We investigate a bilayer system of critical HgTe quantum wells, each featuring a spin-degenerate pair of massless Dirac fermions. In the presence of an electrostatic interlayer Coulomb coupling, we determine the exciton condensate order parameter of the system self-consistently. Calculating the bulk topological Z2 invariant of the resulting mean-field Hamiltonian, we discover a novel time reversal symmetric topological exciton condensate state, coined the helical topological exciton condensate. We argue that this phase can exist for experimentally relevant parameters. Interestingly, due to its multiband nature, the present bilayer model exhibits a nontrivial interplay between spontaneous symmetry breaking and topology: Depending on which symmetry the condensate order parameter spontaneously picks in combined orbital and spin space, stable minima in the free energy corresponding to both trivial and nontrivial gapped states can be found.

  20. Separation of variables in anisotropic models and non-skew-symmetric elliptic r-matrix

    NASA Astrophysics Data System (ADS)

    Skrypnyk, Taras

    2016-11-01

    We solve a problem of separation of variables for the classical integrable hamiltonian systems possessing Lax matrices satisfying linear Poisson brackets with the non-skew-symmetric, non-dynamical elliptic so(3)⊗ so(3) -valued classical r-matrix. Using the corresponding Lax matrices, we present a general form of the "separating functions" B(u) and A(u) that generate the coordinates and the momenta of separation for the associated models. We consider several examples and perform the separation of variables for the classical anisotropic Euler's top, Steklov-Lyapunov model of the motion of anisotropic rigid body in the liquid, two-spin generalized Gaudin model and "spin" generalization of Steklov-Lyapunov model.

  1. Axially symmetric static sources of gravitational field

    NASA Astrophysics Data System (ADS)

    Hernandez-Pastora, J. L.; Herrera, L.; Martin, J.

    2016-12-01

    A general procedure to find static and axially symmetric, interior solutions to the Einstein equations is presented. All the so obtained solutions, verify the energy conditions for a wide range of values of the parameters, and match smoothly to some exterior solution of the Weyl family, thereby representing globally regular models describing non-spherical sources of gravitational field. In the spherically symmetric limit, all our models converge to the well known incompressible perfect fluid solution. The key stone of our approach is based on an ansatz allowing to define the interior metric in terms of the exterior metric functions evaluated at the boundary source. Some particular sources are obtained, and the physical variables of the energy-momentum tensor are calculated explicitly, as well as the geometry of the source in terms of the relativistic multipole moments. The total mass of different configurations is also calculated, it is shown to be equal to the monopole of the exterior solution.

  2. Multipartite maximally entangled states in symmetric scenarios

    NASA Astrophysics Data System (ADS)

    González-Guillén, Carlos E.

    2012-08-01

    We consider the class of (N+1)-partite states suitable for protocols where there is a powerful party, the authority, and the other N parties play the same role, namely, the state of their system lies in the symmetric Hilbert space. We show that, within this scenario, there is a “maximally entangled state” that can be transform by a local operations and classical communication protocol into any other state. In addition, we show how to use the protocol efficiently, including the construction of the state, and discuss security issues for possible applications to cryptographic protocols. As an immediate consequence we recover a sequential protocol that implements the 1-to-N symmetric cloning.

  3. Integrability of PT-symmetric dimers

    NASA Astrophysics Data System (ADS)

    Pickton, J.; Susanto, H.

    2013-12-01

    The coupled discrete linear and Kerr nonlinear Schrödinger equations with gain and loss describing transport on dimers with parity-time (PT)-symmetric potentials are considered. The model is relevant among others to experiments in optical couplers and proposals on Bose-Einstein condensates in PT-symmetric double-well potentials. It is known that the models are integrable. Here, the integrability is exploited further to construct the phase portraits of the system. A pendulum equation with a linear potential and a constant force for the phase difference between the fields is obtained, which explains the presence of unbounded solutions above a critical threshold parameter. The behavior of all solutions of the system, including changes in the topological structure of the phase plane, is then discussed.

  4. Theory of connectivity for formally symmetric operators

    PubMed Central

    Herrera, Ismael

    1977-01-01

    A previous paper introduced the notion of complete connectivity conditions and developed variational principles for diffraction problems subjected to such restrictions. Here, an abstract definition of formally symmetric operators is given and it is shown that the problem of connecting solutions of equations associated with this kind of operators leads to complete connectivity conditions. The variational principles previously developed as well as a present more general one are thus applicable. The problem of connecting solutions defined in different regions is basic for finite element formulations. Formally symmetric operators occur in many branches of science and engineering. Applications are given here to potential theory, wave propagation, elasticity, and a general class of boundary integral equations. PMID:16592459

  5. Static spherically symmetric wormholes with isotropic pressure

    NASA Astrophysics Data System (ADS)

    Cataldo, Mauricio; Liempi, Luis; Rodríguez, Pablo

    2016-06-01

    In this paper we study static spherically symmetric wormhole solutions sustained by matter sources with isotropic pressure. We show that such spherical wormholes do not exist in the framework of zero-tidal-force wormholes. On the other hand, it is shown that for the often used power-law shape function there are no spherically symmetric traversable wormholes sustained by sources with a linear equation of state p = ωρ for the isotropic pressure, independently of the form of the redshift function ϕ (r). We consider a solution obtained by Tolman at 1939 for describing static spheres of isotropic fluids, and show that it also may describe wormhole spacetimes with a power-law redshift function, which leads to a polynomial shape function, generalizing a power-law shape function, and inducing a solid angle deficit.

  6. Magnons, Spin Current and Spin Seebeck Effect

    NASA Astrophysics Data System (ADS)

    Maekawa, Sadamichi

    2012-02-01

    When metals and semiconductors are placed in a temperature gradient, the electric voltage is generated. This mechanism to convert heat into electricity, the so-called Seebeck effect, has attracted much attention recently as the mechanism for utilizing wasted heat energy. [1]. Ferromagnetic insulators are good conductors of spin current, i.e., the flow of electron spins [2]. When they are placed in a temperature gradient, generated are magnons, spin current and the spin voltage [3], i.e., spin accumulation. Once the spin voltage is converted into the electric voltage by inverse spin Hall effect in attached metal films such as Pt, the electric voltage is obtained from heat energy [4-5]. This is called the spin Seebeck effect. Here, we present the linear-response theory of spin Seebeck effect based on the fluctuation-dissipation theorem [6-8] and discuss a variety of the devices. [4pt] [1] S. Maekawa et al, Physics of Transition Metal Oxides (Springer, 2004). [0pt] [2] S. Maekawa: Nature Materials 8, 777 (2009). [0pt] [3] Concept in Spin Electronics, eds. S. Maekawa (Oxford University Press, 2006). [0pt] [4] K. Uchida et al., Nature 455, 778 (2008). [0pt] [5] K. Uchida et al., Nature Materials 9, 894 (2010) [0pt] [6] H. Adachi et al., APL 97, 252506 (2010) and Phys. Rev. B 83, 094410 (2011). [0pt] [7] J. Ohe et al., Phys. Rev. B (2011) [0pt] [8] K. Uchida et al., Appl. Phys. Lett. 97, 104419 (2010).

  7. The perturbative structure of spin glass field theory

    NASA Astrophysics Data System (ADS)

    Temesvári, T.

    2014-03-01

    Cubic replicated field theory is used to study the glassy phase of the short-range Ising spin glass just below the transition temperature, and for systems above, at, and slightly below the upper critical dimension six. The order parameter function is computed up to two-loop order. There are two, well-separated bands in the mass spectrum, just as in mean field theory. The small mass band acts as an infrared cutoff, whereas contributions from the large mass region can be computed perturbatively (d>6), or interpreted by the ɛ-expansion around the critical fixed point (d=6-ɛ). The one-loop calculation of the (momentum-dependent) longitudinal mass, and the whole replicon sector is also presented. The innocuous behavior of the replicon masses while crossing the upper critical dimension shows that the ultrametric replica symmetry broken phase remains stable below six dimensions.

  8. On the global behaviour of symmetric Skyrmions

    NASA Astrophysics Data System (ADS)

    Yang, Yisong

    1990-01-01

    It is shown that the chiral angle, θ( r), of the hedgehog (symmetric) Skyrmions with an arbitrary baryon number, is a strictly decreasing or increasing function. For large values of r>0, θ( r) is strictly convex or concave. As r→∞, θ( r) and θ'( r) approach their limit values at the rate O r -α for any α∈(0,2).

  9. PT symmetric Aubry-Andre model

    NASA Astrophysics Data System (ADS)

    Yuce, C.

    2014-06-01

    PT symmetric Aubry-Andre model describes an array of N coupled optical waveguides with position-dependent gain and loss. We show that the reality of the spectrum depends sensitively on the degree of quasi-periodicity for small number of lattice sites. We obtain the Hofstadter butterfly spectrum and discuss the existence of the phase transition from extended to localized states. We show that rapidly changing periodical gain/loss materials almost conserve the total intensity.

  10. Solitons in PT-symmetric nonlinear lattices

    SciTech Connect

    Abdullaev, Fatkhulla Kh.; Konotop, Vladimir V.; Zezyulin, Dmitry A.; Kartashov, Yaroslav V.

    2011-04-15

    The existence of localized modes supported by the PT-symmetric nonlinear lattices is reported. The system considered reveals unusual properties: unlike other typical dissipative systems, it possesses families (branches) of solutions, which can be parametrized by the propagation constant; relatively narrow localized modes appear to be stable, even when the conservative nonlinear lattice potential is absent; and finally, the system supports stable multipole solutions.

  11. Diagnostic and Therapeutic Advances: Distal Symmetric Polyneuropathy

    PubMed Central

    Callaghan, Brian C.; Price, Raymond S.; Feldman, Eva L.

    2016-01-01

    Importance Peripheral neuropathy is a highly prevalent and morbid condition affecting 2–7% of the population. Patients frequently suffer from pain and are at risk of falls, ulcerations, and amputations. We aimed to review recent diagnostic and therapeutic advances in peripheral neuropathy in distal symmetric polyneuropathy, the most common subtype of peripheral neuropathy. Observations and Advances Current evidence supports limited routine laboratory testing in patients with distal symmetric polyneuropathy. Patients without a known cause should have a complete blood count, comprehensive metabolic panel, B12, serum protein electrophoresis with immunofixation, fasting glucose, and a glucose tolerance test. The presence of atypical features such as asymmetry, non-length-dependence, motor predominance, acute or subacute onset, and/or prominent autonomic involvement should prompt a consultation with a neurologist or neuromuscular specialist. Electrodiagnostic tests and magnetic resonance imaging of the neuroaxis are the main drivers of the cost of the diagnostic evaluation, but evidence supporting their use is lacking. Strong evidence supports the use of tricyclic antidepressants, serotonin and norepinephrine reuptake inhibitors, and voltage-gated calcium channel ligands in the treatment of neuropathic pain. More intensive glucose control substantially reduces the incidence of distal symmetric polyneuropathy in patients with type 1 diabetes, but does not in type 2 diabetes. Conclusions and Relevance The opportunity exists to improve guideline concordant testing in distal symmetric polyneuropathy patients. Moreover, the role of electrodiagnostic tests needs to be further defined, and interventions to reduce magnetic resonance imaging use in this population are needed. Even though several efficacious medications exist for neuropathic pain treatment, pain is still under-recognized and undertreated. New disease modifying medications are needed to prevent and treat

  12. Wave equation on spherically symmetric Lorentzian metrics

    SciTech Connect

    Bokhari, Ashfaque H.; Al-Dweik, Ahmad Y.; Zaman, F. D.; Kara, A. H.; Karim, M.

    2011-06-15

    Wave equation on a general spherically symmetric spacetime metric is constructed. Noether symmetries of the equation in terms of explicit functions of {theta} and {phi} are derived subject to certain differential constraints. By restricting the metric to flat Friedman case the Noether symmetries of the wave equation are presented. Invertible transformations are constructed from a specific subalgebra of these Noether symmetries to convert the wave equation with variable coefficients to the one with constant coefficients.

  13. Scattering from a PT symmetric standing wave

    NASA Astrophysics Data System (ADS)

    Yuce, C.

    2012-09-01

    We study the Kapitza-Dirac diffraction of a free beam particle in the presence of a PT symmetric standing wave. We discuss that the momentum and total probability are not conserved in the non-Hermitian scattering process. We show that the average momentum gain/loss does not vanish over a period even if the non-Hermitian optical potential changes periodically in time. We give the resonance conditions at which large momentum transfer is produced.

  14. Time-symmetric electrodynamics and quantum measurement

    NASA Astrophysics Data System (ADS)

    Pegg, D. T.

    The application of the Wheeler-Feynman theory of time-symmetric electrodynamics to obtain definite answers to questions concerning the objective existence of quantum states in an optical EPR type of experiment is discussed. This theory allows the influence of the detector on the system being studied to be taken into account. The result is an entirely fresh understanding of experiments of the Kocher-Commins type.

  15. Compensator configurations for load currents' symmetrization

    NASA Astrophysics Data System (ADS)

    Rusinaru, D.; Manescu, L. G.; Dinu, R. C.

    2016-02-01

    This paper approaches aspects regarding the mitigation effects of asymmetries in 3-phase 3-wire networks. The measure consisting in connecting of load current symmetrization devices at the load coupling point is presented. A time-variation of compensators parameters is determined as a function of the time-recorded electrical values. The general sizing principle of the load current symmetrization reactive components is based on a simple equivalent model of the unbalanced 3-phase loads. By using these compensators a certain control of the power components transits is ensured in the network. The control is based on the variations laws of the compensators parameters as functions of the recorded electrical values: [B] = [T]·[M]. The link between compensator parameters and measured values is ensured by a transformation matrix [T] for each operation conditions of the supply network. Additional conditions for improving of energy and efficiency performance of the compensator are considered: i.e. reactive power compensation. The compensator sizing algorithm was implemented into a MATLAB environment software, which generate the time-evolution of the parameters of load current symmetrization device. The input data of application takes into account time-recording of the electrical values. By using the compensator sizing software, some results were achieved for the case of a consumer connected at 20 kV busbar of a distribution substation, during 24 hours measurement session. Even the sizing of the compensators aimed some additional network operation aspects (power factor correction) correlated with the total or major load symmetrizations, the harmonics aspects of the network values were neglected.

  16. Symmetrical peripheral gangrene associated with peripartum cardiomyopathy

    PubMed Central

    Jaryal, Ajay; Raina, Sujeet; Thakur, Surender; Sontakke, Tushar

    2013-01-01

    Symmetrical peripheral gangrene (SPG) is a rare clinical entity. It was first described in late 19th century and since then has been reported with array of medical conditions mainly those complicated with shock, sepsis, and disseminated intravascular coagulation (DIC). Here in, we describe a parturient with peripartum cardiomyopathy (PPCM) and SPG. Clinicians should be aware of this entity as early recognition can help in reducing morbidity and mortality. PMID:23984243

  17. Spin effects in double photoionization of lithium

    NASA Astrophysics Data System (ADS)

    Kheifets, A. S.; Fursa, D. V.; Hines, C. W.; Bray, I.; Colgan, J.; Pindzola, M. S.

    2010-02-01

    We apply the nonperturbative convergent close-coupling (CCC) and time-dependent close coupling (TDCC) formalisms to calculate fully differential energy and angular resolved cross sections of double photoionization (DPI) of lithium. The equal energy sharing case is considered in which dynamics of the DPI process can be adequately described by two symmetrized singlet and triplet amplitudes. The angular width of these amplitudes serves as a measure of the strength of the angular correlation between the two ejected electrons. This width is interpreted in terms of the spin of the photoelectron pair.

  18. Spin effects in double photoionization of lithium

    SciTech Connect

    Kheifets, A. S.; Fursa, D. V.; Hines, C. W.; Bray, I.; Colgan, J.; Pindzola, M. S.

    2010-02-15

    We apply the nonperturbative convergent close-coupling (CCC) and time-dependent close coupling (TDCC) formalisms to calculate fully differential energy and angular resolved cross sections of double photoionization (DPI) of lithium. The equal energy sharing case is considered in which dynamics of the DPI process can be adequately described by two symmetrized singlet and triplet amplitudes. The angular width of these amplitudes serves as a measure of the strength of the angular correlation between the two ejected electrons. This width is interpreted in terms of the spin of the photoelectron pair.

  19. Symmetric multilayer megampere X-pinch

    SciTech Connect

    Shelkovenko, T. A.; Pikuz, S. A.; McBride, R. D.; Knapp, P. F.; Wilhelm, G.; Sinars, D. B.; Hammer, D. A.; Orlov, N. Yu.

    2010-01-15

    Raising the power of X-ray emission from an X-pinch by increasing the pinch current to the megampere level requires the corresponding increase in the initial linear mass of the load. This can be achieved by increasing either the number of wires or their diameter. In both cases, special measures should be undertaken to prevent the formation of a complicated configuration with an uncontrolled spatial structure in the region of wire crossing, because such a structure breaks the symmetry of the neck formed in the crossing region, destabilizes plasma formation, and degrades X-ray generation. To improve the symmetry of the wire crossing region, X-pinch configurations with a regular multilayer arrangement of wires in this region were proposed and implemented. The results of experiments with various symmetric X-pinch configurations on the COBRA facility at currents of {approx}1MA are presented. It is shown that an X-pinch with a symmetric crossing region consisting of several layers of wires made of different materials can be successfully used in megampere facilities. The most efficient combinations of wires in symmetric multilayer X-pinches are found in which only one hot spot forms and that are characterized by a high and stable soft X-ray yield.

  20. Spherically symmetric thick branes cosmological evolution

    NASA Astrophysics Data System (ADS)

    Bernardini, A. E.; Cavalcanti, R. T.; da Rocha, Roldão

    2015-01-01

    Spherically symmetric time-dependent solutions for the 5D system of a scalar field canonically coupled to gravity are obtained and identified as an extension of recent results obtained by Ahmed et al. (JHEP 1404:061. arXiv:1312.3576 [hep-th], 2014). The corresponding cosmology of models with regularized branes generated by such a 5D scalar field scenario is also investigated. It has been shown that the anisotropic evolution of the warp factor and consequently the Hubble like parameter are both driven by the radial coordinate on the brane, which leads to an emergent thick brane-world scenario with spherically symmetric time dependent warp factor. Meanwhile, the separability of variables depending on fifth dimension, , which is exhibited by the equations of motion, allows one to recover the extra dimensional profiles obtained in Ahmed et al. (2014), namely the extra dimensional part of the scale (warp) factor and the scalar field dependence on . Therefore, our results are mainly concerned with the time dependence of a spherically symmetric warp factor. Besides evincing possibilities for obtaining asymmetric stable brane-world scenarios, the extra dimensional profiles here obtained can also be reduced to those ones investigated in Ahmed et al. (2014).

  1. Nonlinear waves in PT -symmetric systems

    NASA Astrophysics Data System (ADS)

    Konotop, Vladimir V.; Yang, Jianke; Zezyulin, Dmitry A.

    2016-07-01

    Recent progress on nonlinear properties of parity-time (PT )-symmetric systems is comprehensively reviewed in this article. PT symmetry started out in non-Hermitian quantum mechanics, where complex potentials obeying PT symmetry could exhibit all-real spectra. This concept later spread out to optics, Bose-Einstein condensates, electronic circuits, and many other physical fields, where a judicious balancing of gain and loss constitutes a PT -symmetric system. The natural inclusion of nonlinearity into these PT systems then gave rise to a wide array of new phenomena which have no counterparts in traditional dissipative systems. Examples include the existence of continuous families of nonlinear modes and integrals of motion, stabilization of nonlinear modes above PT -symmetry phase transition, symmetry breaking of nonlinear modes, distinctive soliton dynamics, and many others. In this article, nonlinear PT -symmetric systems arising from various physical disciplines are presented, nonlinear properties of these systems are thoroughly elucidated, and relevant experimental results are described. In addition, emerging applications of PT symmetry are pointed out.

  2. Distal symmetrical polyneuropathy: definition for clinical research.

    PubMed

    England, J D; Gronseth, G S; Franklin, G; Miller, R G; Asbury, A K; Carter, G T; Cohen, J A; Fisher, M A; Howard, J F; Kinsella, L J; Latov, N; Lewis, R A; Low, P A; Sumner, A J

    2005-01-01

    The objective of this report was to develop a case definition of "distal symmetrical polyneuropathy" to standardize and facilitate clinical research and epidemiological studies. A formalized consensus process was employed to reach agreement after a systematic review and classification of evidence from the literature. The literature indicates that symptoms alone have relatively poor diagnostic accuracy in predicting the presence of polyneuropathy; signs are better predictors of polyneuropathy than symptoms; and single abnormalities on examination are less sensitive than multiple abnormalities in predicting the presence of polyneuropathy. The combination of neuropathic symptoms, signs, and electrodiagnostic findings provides the most accurate diagnosis of distal symmetrical polyneuropathy. A set of case definitions was rank ordered by likelihood of disease. The highest likelihood of polyneuropathy (useful for clinical trials) occurs with a combination of multiple symptoms, multiple signs, and abnormal electrodiagnostic studies. A modest likelihood of polyneuropathy (useful for field or epidemiological studies) occurs with a combination of multiple symptoms and multiple signs when the results of electrodiagnostic studies are not available. A lower likelihood of polyneuropathy occurs when electrodiagnostic studies and signs are discordant. For research purposes, the best approach for defining distal symmetrical polyneuropathy is a set of case definitions rank ordered by estimated likelihood of disease. The inclusion of this formalized case definition in clinical and epidemiological research studies will ensure greater consistency of case selection.

  3. Symmetric smoothing filters from global consistency constraints.

    PubMed

    Haque, Sheikh Mohammadul; Pai, Gautam P; Govindu, Venu Madhav

    2015-05-01

    Many patch-based image denoising methods can be viewed as data-dependent smoothing filters that carry out a weighted averaging of similar pixels. It has recently been argued that these averaging filters can be improved using their doubly stochastic approximation, which are symmetric and stable smoothing operators. In this paper, we introduce a simple principle of consistency that argues that the relative similarities between pixels as imputed by the averaging matrix should be preserved in the filtered output. The resultant consistency filter has the theoretically desirable properties of being symmetric and stable, and is a generalized doubly stochastic matrix. In addition, we can also interpret our consistency filter as a specific form of Laplacian regularization. Thus, our approach unifies two strands of image denoising methods, i.e., symmetric smoothing filters and spectral graph theory. Our consistency filter provides high-quality image denoising and significantly outperforms the doubly stochastic version. We present a thorough analysis of the properties of our proposed consistency filter and compare its performance with that of other significant methods for image denoising in the literature.

  4. Structures in multiple spin-2 interactions

    NASA Astrophysics Data System (ADS)

    Baldacchino, Oliver; Schmidt-May, Angnis

    2017-04-01

    We study generalisations of ghost-free bimetric theory which involve more than two spin-2 fields. The consistent interactions can enter in the form of two different couplings and in the majority of this work we concentrate on the simpler one. The corresponding action involves one metric coupled to N tensor fields which do not interact with each other. We derive maximally symmetric solutions to the multimetric equations of motion and identify the mass eigenstates in the linearised theory around these backgrounds. Our results are then applied to the problem of singling out multimetric models which possess certain additional structures. In particular, we look for a relation between scale invariant background solutions, the perturbative emergence of Weyl invariance and the presence of partially massless spin-2 fields in the linear theory. Our findings generalise known results in bimetric theory and allow us to point out similarities and differences between the bi- and multimetric models.

  5. Subdimensional particle structure of higher rank U (1 ) spin liquids

    NASA Astrophysics Data System (ADS)

    Pretko, Michael

    2017-03-01

    Spin liquids are conventionally described by gauge theories with a vector gauge field. However, there exists a wider class of spin liquids with higher rank tensors as the gauge variable. In this work, we focus on (3+1)-dimensional spin liquids described by U (1 ) symmetric tensor gauge theories, which have recently been shown to be stable gapless spin liquids. We investigate the particle structure of these tensor gauge theories and find that they have deep connections with the "fracton" models recently discovered by Vijay, Haah, and Fu. Tensor gauge theories have more conservation laws than the simple charge conservation law of rank 1 theories. These conservation laws place severe restrictions on the motion of particles. Particles in some models are fully immobile (fractons), while other models have particles restricted to motion along lower-dimensional subspaces.

  6. Control of Spin-Wave Refraction Using Arrays of Skyrmions

    NASA Astrophysics Data System (ADS)

    Moon, Kyoung-Woong; Chun, Byong Sun; Kim, Wondong; Hwang, Chanyong

    2016-12-01

    A periodically patterned and magnetized medium for controlling spin waves is proposed in a magnonic device and presents a clear advantage compared with other metamaterials because of the tunability in reconfiguring its pattern during operation. We study the spin-wave propagation numerically by controlling the arrangement of two magnetic Skyrmion arrays instead of patterned structures. The adjustment the position of each of the Skyrmion arrays could result in distinct spin-wave propagation or refraction depending on the location of the Skyrmions in each array. Control of the arrangement of two Skyrmion arrays can be made by an asymmetric magnetic field generated by a symmetric electrode with different current directions. This simple method of spin-wave manipulation can be applied to the development of magnonic devices consisting of Skyrmions as the building blocks of the magnonic crystals.

  7. Spin Rotation of Formalism for Spin Tracking

    SciTech Connect

    Luccio,A.

    2008-02-01

    The problem of which coefficients are adequate to correctly represent the spin rotation in vector spin tracking for polarized proton and deuteron beams in synchrotrons is here re-examined in the light of recent discussions. The main aim of this note is to show where some previous erroneous results originated and how to code spin rotation in a tracking code. Some analysis of a recent experiment is presented that confirm the correctness of the assumptions.

  8. Spin-Lattice-Coupled Order in Heisenberg Antiferromagnets on the Pyrochlore Lattice.

    PubMed

    Aoyama, Kazushi; Kawamura, Hikaru

    2016-06-24

    Effects of local lattice distortions on the spin ordering are investigated for the antiferromagnetic classical Heisenberg model on the pyrochlore lattice. It is found by Monte Carlo simulations that the spin-lattice coupling (SLC) originating from site phonons induces a first-order transition into two different types of collinear magnetic ordered states. The state realized at the stronger SLC is cubic symmetric characterized by the magnetic (1/2,1/2,1/2) Bragg peaks, while that at the weaker SLC is tetragonal symmetric characterized by the (1,1,0) ones, each accompanied by the commensurate local lattice distortions. Experimental implications to chromium spinels are discussed.

  9. Spin-Lattice-Coupled Order in Heisenberg Antiferromagnets on the Pyrochlore Lattice

    NASA Astrophysics Data System (ADS)

    Aoyama, Kazushi; Kawamura, Hikaru

    2016-06-01

    Effects of local lattice distortions on the spin ordering are investigated for the antiferromagnetic classical Heisenberg model on the pyrochlore lattice. It is found by Monte Carlo simulations that the spin-lattice coupling (SLC) originating from site phonons induces a first-order transition into two different types of collinear magnetic ordered states. The state realized at the stronger SLC is cubic symmetric characterized by the magnetic (1/2 ,1/2 ,1/2 ) Bragg peaks, while that at the weaker SLC is tetragonal symmetric characterized by the (1,1,0) ones, each accompanied by the commensurate local lattice distortions. Experimental implications to chromium spinels are discussed.

  10. Nonthermal and geometric effects on the symmetric and anti-symmetric surface waves in a Lorentzian dusty plasma slab

    SciTech Connect

    Lee, Myoung-Jae; Jung, Young-Dae

    2015-02-15

    The nonthermal and geometric effects on the propagation of the surface dust acoustic waves are investigated in a Lorentzian dusty plasma slab. The symmetric and anti-symmetric dispersion modes of the dust acoustic waves are obtained by the plasma dielectric function with the spectral reflection conditions the slab geometry. The variation of the nonthermal and geometric effects on the symmetric and the anti-symmetric modes of the surface plasma waves is also discussed.

  11. Influence of 8-Oxoguanosine on the Fine Structure of DNA Studied with Biasing-Potential Replica Exchange Simulations

    SciTech Connect

    Kara, Mahmut; Zacharias, Martin W.

    2013-03-05

    Chemical modification or radiation can cause DNA damage, which plays a crucial role for mutagenesis of DNA, carcinogenesis, and aging. DNA damage can also alter the fine structure of DNA that may serve as a recognition signal for DNA repair enzymes. A new, advanced sampling replica-exchange method has been developed to specifically enhance the sampling of conformational substates in duplex DNA during molecular dynamics (MD) simulations. The approach employs specific biasing potentials acting on pairs of pseudodihedral angles of the nucleic acid backbone that are added in the replica simulations to promote transitions of the most common substates of the DNA backbone. The sampled states can exchange with a reference simulation under the control of the original force field. The application to 7,8-dihydro-8oxo-guanosine, one of the most common oxidative damage in DNA indicated better convergence of sampled states during 10 ns simulations compared to 20 times longer standard MD simulations. It is well suited to study systematically the fine structure and dynamics of large nucleic acids under realistic conditions, including explicit solvent and ions. The biasing potential-replica exchange MD simulations indicated significant differences in the population of nucleic acid backbone substates in the case of 7,8-dihydro-8oxo-guanosine compared to a regular guanosine in the same sequence context. This concerns both the ratio of the B-DNA substates BI and BII associated with the backbone dihedral angles ε and z but also coupled changes in the backbone dihedral angles a and g. Such differences may play a crucial role in the initial recognition of damaged DNA by repair enzymes.

  12. Enhanced Conformational Sampling Using Replica Exchange with Concurrent Solute Scaling and Hamiltonian Biasing Realized in One Dimension

    PubMed Central

    2015-01-01

    Replica exchange (REX) is a powerful computational tool for overcoming the quasi-ergodic sampling problem of complex molecular systems. Recently, several multidimensional extensions of this method have been developed to realize exchanges in both temperature and biasing potential space or the use of multiple biasing potentials to improve sampling efficiency. However, increased computational cost due to the multidimensionality of exchanges becomes challenging for use on complex systems under explicit solvent conditions. In this study, we develop a one-dimensional (1D) REX algorithm to concurrently combine the advantages of overall enhanced sampling from Hamiltonian solute scaling and the specific enhancement of collective variables using Hamiltonian biasing potentials. In the present Hamiltonian replica exchange method, termed HREST-BP, Hamiltonian solute scaling is applied to the solute subsystem, and its interactions with the environment to enhance overall conformational transitions and biasing potentials are added along selected collective variables associated with specific conformational transitions, thereby balancing the sampling of different hierarchical degrees of freedom. The two enhanced sampling approaches are implemented concurrently allowing for the use of a small number of replicas (e.g., 6 to 8) in 1D, thus greatly reducing the computational cost in complex system simulations. The present method is applied to conformational sampling of two nitrogen-linked glycans (N-glycans) found on the HIV gp120 envelope protein. Considering the general importance of the conformational sampling problem, HREST-BP represents an efficient procedure for the study of complex saccharides, and, more generally, the method is anticipated to be of general utility for the conformational sampling in a wide range of macromolecular systems. PMID:26082676

  13. Isobaric molecular dynamics version of the generalized replica exchange method (gREM): Liquid–vapor equilibrium

    DOE PAGES

    Malolepsza, Edyta; Secor, Maxim; Keyes, Tom

    2015-09-23

    A prescription for sampling isobaric generalized ensembles with molecular dynamics is presented and applied to the generalized replica exchange method (gREM), which was designed for simulating first-order phase transitions. The properties of the isobaric gREM ensemble are discussed and a study is presented of the liquid-vapor equilibrium of the guest molecules given for gas hydrate formation with the mW water model. As a result, phase diagrams, critical parameters, and a law of corresponding states are obtained.

  14. Equilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte Carlo simulations.

    PubMed

    Odriozola, Gerardo; Berthier, Ludovic

    2011-02-07

    We use replica exchange Monte Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte Carlo simulations do not easily reach thermal equilibrium. For the moderate system sizes we use (up to N = 100), we find no sign of a pressure discontinuity near the location of dynamic glass singularities extrapolated using either algebraic or simple exponential divergences, suggesting they do not correspond to genuine thermodynamic glass transitions. Several scenarios are proposed for the fate of the fluid state in the thermodynamic limit.

  15. Micro-pixel array of organic light-emitting diodes applying imprinting technique with a polymer replica

    NASA Astrophysics Data System (ADS)

    Park, Tae Hyun; Kim, Young Min; Park, Young Wook; Choi, Jin Hwan; Jeong, Jin-Wook; Dong, Ki Young; Choi, Kyung Cheol; Ju, Byeong-Kwon

    2009-08-01

    Efficient micro-pixel array of small molecule organic light-emitting diodes (OLEDs) has been fabricated by an imprinting technique which uses a polymer replica. To confirm the effect of the oxygen plasma for removing the residual layer, the performance of two kinds of OLEDs with varying thicknesses of resin as the micro-pixel array, have been compared. The measured results of the OLEDs have shown comparable device performances that are significantly characterized depending on the residues on the substrate. The performance of enhanced device has achieved efficiencies of 3.6 cd/A and 1.9 lm/W at 20 mA/cm2.

  16. Shaping ability of Reciproc and TF Adaptive systems in severely curved canals of rapid microCT-based prototyping molar replicas

    PubMed Central

    ORDINOLA-ZAPATA, Ronald; BRAMANTE, Clovis Monteiro; DUARTE, Marco Antonio Húngaro; CAVENAGO, Bruno Cavalini; JARAMILLO, David; VERSIANI, Marco Aurélio

    2014-01-01

    Objective: To evaluate the shaping ability of Reciproc and Twisted-File Adaptive systems in rapid prototyping replicas. Material and Methods: Two mandibular molars showing S-shaped and 62-degree curvatures in the mesial root were scanned by using a microcomputed tomography (μCT) system. The data were exported in the stereolitograhic format and 20 samples of each molar were printed at 16 µm resolution. The mesial canals of 10 replicas of each specimen were prepared with each system. Transportation was measured by overlapping radiographs taken before and after preparation and resin thickness after instrumentation was measured by μCT. Results: Both systems maintained the original shape of the apical third in both anatomies (P>0.05). Overall, considering the resin thickness in the 62-degree replicas, no statistical difference was found between the systems (P>0.05). In the S-shaped curvature replica, Reciproc significantly decreased the thickness of the resin walls in comparison with TF Adaptive. Conclusions: The evaluated systems were able to maintain the original shape at the apical third of severely curved mesial canals of molar replicas. PMID:24918662

  17. Spin Seebeck power generators

    SciTech Connect

    Cahaya, Adam B.; Tretiakov, O. A.; Bauer, Gerrit E. W.

    2014-01-27

    We derive expressions for the efficiency and figure of merit of two spin caloritronic devices based on the spin Seebeck effect (SSE), i.e., the generation of spin currents by a temperature gradient. The inverse spin Hall effect is conventionally used to detect the SSE and offers advantages for large area applications. We also propose a device that converts spin current into electric one by means of a spin-valve detector, which scales favorably to small sizes and approaches a figure of merit of 0.5 at room temperature.

  18. Spin-Mechatronics

    NASA Astrophysics Data System (ADS)

    Matsuo, Mamoru; Saitoh, Eiji; Maekawa, Sadamichi

    2017-01-01

    We investigate the interconversion phenomena between spin and mechanical angular momentum in moving objects. In particular, the recent results on spin manipulation and spin-current generation by mechanical motion are examined. In accelerating systems, spin-dependent gauge fields emerge, which enable the conversion from mechanical angular momentum into spins. Such a spin-mechanical effect is predicted by quantum theory in a non-inertial frame. Experiments which confirm the effect, i.e., the resonance frequency shift in nuclear magnetic resonance, the stray field measurement of rotating metals, and electric voltage generation in liquid metals, are discussed.

  19. Structure and thermodynamics of amylin dimer studied by Hamiltonian-temperature replica exchange molecular dynamics simulations.

    PubMed

    Laghaei, Rozita; Mousseau, Normand; Wei, Guanghong

    2011-03-31

    The loss of the insulin-producing β-cells in the pancreatic islets of Langerhans, responsible for type-II diabetes, is associated with islet amyloid deposits. The main component of these deposits is the amyloid fibrils formed by the 37-residue human islet amyloid polypeptide (hIAPP also known as amylin). Although the fibrils are well characterized by cross β structure, the structure of the transient oligomers formed in the early stage of aggregation remains elusive. In this study, we apply the Hamiltonian-temperature replica exchange molecular dynamics to characterize the structure and thermodynamics of a full-length hIAPP dimer in both the presence and the absence of the Cys2-Cys7 disulfide bond. We compare these results with those obtained on the monomeric and dimeric forms of rat IAPP (rIAPP) with a disulfide bridge which differ from the hIAPP by 6 amino acids in the C-terminal region, but it is unable to form fibrils. Using a coarse-grained protein force field (OPEP-the Optimized Potential for Efficient peptide structure Prediction) running for a total of 10-28 μs per system studied, we show that sequences sample α-helical structure in the N-terminal region but that the length of this secondary element is shorter and less stable for the chains without the disulfide bridge (residues 5-16 for hIAPP with the bridge vs 10-16 for hIAPP without the bridge). This α-helix is known to be an important transient stage in the formation of oligomers. In the C-terminal, the amyloidogenic region of hIAPP, β-strands are seen for residues 17-26 and 30-35. On the contrary, no significant β-sheet content in the C-terminal is observed for either the monomeric or the dimeric rIAPP. These numerical results are fully consistent with recent experimental findings that the N-terminal residues are not part of the fibril by forming α-helical structure but rather play a significant role in stabilizing the amyloidogenic region available for the fibrillation.

  20. Seismic wavefield imaging based on the replica exchange Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Kano, Masayuki; Nagao, Hiromichi; Ishikawa, Daichi; Ito, Shin-ichi; Sakai, Shin'ichi; Nakagawa, Shigeki; Hori, Muneo; Hirata, Naoshi

    2016-11-01

    Earthquakes sometimes cause serious disasters not only directly by ground motion itself but also secondarily by infrastructure damage, particularly in densely populated urban areas that have capital functions. To reduce the number and severity of secondary disasters, it is important to evaluate seismic hazards rapidly by analyzing the seismic responses of individual structures to input ground motions. We propose a method that integrates physics-based and data-driven approaches in order to obtain a seismic wavefield for use as input to a seismic response analysis. The new contribution of this study is the use of the replica exchange Monte Carlo (REMC) method, which is one of the Markov chain Monte Carlo (MCMC) methods, for estimation of a seismic wavefield, together with a one-dimensional (1-D) local subsurface structure and source information. Numerical tests were conducted to verify the proposed method, using synthetic observation data obtained from analytical solutions for two horizontally-layered subsurface structure models. The geometries of the observation sites were determined from the dense seismic observation array called the Metropolitan Seismic Observation network (MeSO-net), which has been in operation in the Tokyo metropolitan area in Japan since 2007. The results of the numerical tests show that the proposed method is able to search the parameters related to the source and the local subsurface structure in a broader parameter space than the Metropolis method, which is an ordinary MCMC method. The proposed method successfully reproduces a seismic wavefield consistent with a true wavefield. In contrast, ordinary kriging, which is a classical data-driven interpolation method for spatial data, is hardly able to reproduce a true wavefield, even in the low frequency bands. This suggests that it is essential to employ both physics-based and data-driven approaches in seismic wavefield imaging, utilizing seismograms from a dense seismic array. The REMC method

  1. Seismic wavefield imaging based on the replica exchange Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Kano, Masayuki; Nagao, Hiromichi; Ishikawa, Daichi; Ito, Shin-ichi; Sakai, Shin'ichi; Nakagawa, Shigeki; Hori, Muneo; Hirata, Naoshi

    2017-01-01

    Earthquakes sometimes cause serious disasters not only directly by ground motion itself but also secondarily by infrastructure damage, particularly in densely populated urban areas that have capital functions. To reduce the number and severity of secondary disasters, it is important to evaluate seismic hazards rapidly by analysing the seismic responses of individual structures to input ground motions. We propose a method that integrates physics-based and data-driven approaches in order to obtain a seismic wavefield for use as input to a seismic response analysis. The new contribution of this study is the use of the replica exchange Monte Carlo (REMC) method, which is one of the Markov chain Monte Carlo (MCMC) methods, for estimation of a seismic wavefield, together with a 1-D local subsurface structure and source information. Numerical tests were conducted to verify the proposed method, using synthetic observation data obtained from analytical solutions for two horizontally layered subsurface structure models. The geometries of the observation sites were determined from the dense seismic observation array called the Metropolitan Seismic Observation network, which has been in operation in the Tokyo metropolitan area in Japan since 2007. The results of the numerical tests show that the proposed method is able to search the parameters related to the source and the local subsurface structure in a broader parameter space than the Metropolis method, which is an ordinary MCMC method. The proposed method successfully reproduces a seismic wavefield consistent with a true wavefield. In contrast, ordinary kriging, which is a classical data-driven interpolation method for spatial data, is hardly able to reproduce a true wavefield, even in the low frequency bands. This suggests that it is essential to employ both physics-based and data-driven approaches in seismic wavefield imaging, utilizing seismograms from a dense seismic array. The REMC method, which provides not only

  2. Universal temperature dependence of the magnetization of gapped spin chains.

    PubMed

    Maeda, Yoshitaka; Hotta, Chisa; Oshikawa, Masaki

    2007-08-03

    A Haldane chain under applied field is analyzed numerically, and a clear minimum of magnetization is observed as a function of temperature. We elucidate its origin using the effective theory near the critical field and propose a simple method to estimate the gap from the magnetization at finite temperatures. We also demonstrate that there exists a relation between the temperature dependence of the magnetization and the field dependence of the spin-wave velocity. Our arguments are universal for general axially symmetric one-dimensional spin systems.

  3. Topological Hall conductivity of vortex and skyrmion spin textures

    SciTech Connect

    Jalil, M. B. A. Ghee Tan, Seng; Eason, Kwaku; Kong, Jian Feng

    2014-05-07

    We analyze the topological Hall conductivity experienced by conduction electrons whose spins are strongly coupled to axially symmetric spin textures, such as magnetic vortex and skyrmion of types I and II, theoretically by gauge theory, and numerically via micromagnetic simulations. The numerical results are in agreement with the theoretical predictions. Divergence between the two is seen when the vortex/skyrmion core radius is comparable or larger than the element size, and when the skyrmion configuration breaks down at high Dzyaloshinskii-Moriya interaction strength.

  4. Interlayer quality dependent graphene spin valve

    NASA Astrophysics Data System (ADS)

    Iqbal, Muhammad Zahir; Hussain, Ghulam; Siddique, Salma; Iqbal, Muhammad Waqas; Murtaza, Ghulam; Ramay, Shahid Mahmood

    2017-01-01

    It is possible to utilize the new class of materials for emerging two-dimensional (2D) spintronic applications. Here, the role of defects in the graphene interlayer and its influence on the spin valve signal is reported. The emergence of D peak in Raman spectrum reveals defects in the graphene layer. The linear I-V curve for defective and non-defective graphene samples indicate the ohmic nature of NiFe and graphene contact. A non-uniform magnetoresistive effect with a bump is persistently observed for defective graphene device at various temperatures, while a smooth and symmetric signal is detected for non-defective graphene spin valve. Parallel and antiparallel alignments of magnetization of magnetic materials shows low and high resistance states, respectively. The magnetoresistance (MR) ratio for defective graphene NiFe/graphene/NiFe spin valve is measured to be 0.16% at 300 K which progresses to 0.39% for non-defective graphene device at the same temperature. Similarly at 4.2 K the MR ratios are reported to be 0.41% and 0.78% for defective and non-defective graphene devices, respectively. Our investigation provides an evidence for relatively better response of the spin valve signal with high quality graphene interlayer.

  5. The motion and stability of a dual spin satellite during the momentum wheel spin-up maneuver

    NASA Technical Reports Server (NTRS)

    Bainum, P. M.; Sen, S.

    1972-01-01

    The stability of a dual-spin satellite system during the momentum wheel spin-up maneuver is treated both analytically and numerically. The dual-spin system consists of: a slowly rotating or despun main-body; a momentum wheel (or rotor) which is accelerated by a torque motor to change its initial angular velocity relative to the main part to some high terminal value; and a nutation damper. A closed form solution for the case of a symmetrical satellite indicates that when the nutation damper is physically constrained for movement (i.e. by use of a mechanical clamp) the magnitude of the vector sum of the transverse angular velocity components remains bounded during the wheel spin-up under the influence of a constant motor torque. The analysis is extended to consider such effects as: the motion of the nutation damper during spin-up; a non-uniform motor torque; and the effect of a non-symmetrical mass distribution in the main spacecraft and the rotor. An approximate analytical solution using perturbation techniques is developed for the case of a slightly asymmetric main spacecraft.

  6. The Symmetric Tensor Lichnerowicz Algebra and a Novel Associative Fourier-Jacobi Algebra

    NASA Astrophysics Data System (ADS)

    Hallowell, Karl; Waldron, Andrew

    2007-09-01

    Lichnerowicz's algebra of differential geometric operators acting on symmetric tensors can be obtained from generalized geodesic motion of an observer carrying a complex tangent vector. This relation is based upon quantizing the classical evolution equations, and identifying wavefunctions with sections of the symmetric tensor bundle and Noether charges with geometric operators. In general curved spaces these operators obey a deformation of the Fourier-Jacobi Lie algebra of sp(2,R). These results have already been generalized by the authors to arbitrary tensor and spinor bundles using supersymmetric quantum mechanical models and have also been applied to the theory of higher spin particles. These Proceedings review these results in their simplest, symmetric tensor setting. New results on a novel and extremely useful reformulation of the rank 2 deformation of the Fourier-Jacobi Lie algebra in terms of an associative algebra are also presented. This new algebra! was originally motivated by studies of operator orderings in enveloping algebras. It provides a new method that is superior in many respects to common techniques such as Weyl or normal ordering.

  7. Twofold and Fourfold Symmetric Anisotropic Magnetoresistance Effect in a Model with Crystal Field

    NASA Astrophysics Data System (ADS)

    Kokado, Satoshi; Tsunoda, Masakiyo

    2015-09-01

    We theoretically study the twofold and fourfold symmetric anisotropic magnetoresistance (AMR) effects of ferromagnets. We here use the two-current model for a system consisting of a conduction state and localized d states. The localized d states are obtained from a Hamiltonian with a spin-orbit interaction, an exchange field, and a crystal field. From the model, we first derive general expressions for the coefficient of the twofold symmetric term (C2) and that of the fourfold symmetric term (C4) in the AMR ratio. In the case of a strong ferromagnet, the dominant term in C2 is proportional to the difference in the partial densities of states (PDOSs) at the Fermi energy (EF) between the dɛ and dγ states, and that in C4 is proportional to the difference in the PDOSs at EF among the dɛ states. Using the dominant terms, we next analyze the experimental results for Fe4N, in which |C2| and |C4| increase with decreasing temperature. The experimental results can be reproduced by assuming that the tetragonal distortion increases with decreasing temperature.

  8. Symmetrical and anti-symmetrical coherent perfect absorption for acoustic waves

    SciTech Connect

    Wei, Pengjiang; Croënne, Charles; Tak Chu, Sai; Li, Jensen

    2014-03-24

    We investigate tunable acoustic absorption enabled by the coherent control of input waves. It relies on coherent perfect absorption originally proposed in optics. By designing appropriate acoustic metamaterial structures with resonating effective bulk modulus or density, we show that complete absorption of incident waves impinging on the metamaterial can be achieved for either symmetrical or anti-symmetrical inputs in the forward and backward directions. By adjusting the relative phase between the two incident beams, absorption can be tuned effectively from unity to zero, making coherent control useful in applications like acoustic modulators, noise controllers, transducers, and switches.

  9. A synthetic method to access symmetric and non-symmetric 2-(N,N'-disubstituted)guanidinebenzothiazoles.

    PubMed

    Cruz, Alejandro; Padilla-Martínez, Itzia I; García-Báez, Efrén V

    2012-08-24

    Symmetric and non-symmetric 2-(N-H, N-methyl, N-ethylenyl and N-aryl)guanidinebenzothiazoles were synthesized from the reaction of ammonia, methylamine, pyrrolidine and aniline with dimethyl benzo[d]thiazol-2-yl-carbonodithioimidate as intermediate. The products were characterized by ¹H-, ¹³C-NMR spectroscopy and three of them by X-ray diffraction analysis. HN-phenyl protons formed intramolecular hydrogen bonds that assist the stereochemistry of the second substituent, whereas the HN-alkyl protons were involved in intermolecular hydrogen bonding.

  10. Symmetrical band-pass loudspeaker systems

    NASA Astrophysics Data System (ADS)

    Matusiak, Grzegorz Piotr

    2001-12-01

    Loudspeaker systems are analyzed in a doctoral dissertation. The dissertation concerns loudspeaker systems, which are known as subwoofers or band-pass loudspeaker systems. Their advantages include: high- quality sound reproduction in the low-frequency range, small dimensions, small nonlinear distortions and the fact that they can be placed anywhere in a room or car. Band-pass loudspeaker systems are used widely in the so- called Home Theatre as well as to provide sound in cinema, theatre, concert, discotheque, opera, operetta, philharmonic and amphitheater halls, at open-air concerts, and so on. Various designs are mass-produced by a large number of manufacturers. The study covers an analysis of band-pass loudspeaker systems to which the frequency transformation, i.e. the reactance transformation, has been applied. Since this is a symmetrical transformation, amplitude frequency responses of the studied band-pass systems are also symmetrical (logarithmic scale of a frequency). As a result, the high-pass loudspeaker system design method, known as the Thiele-Small, Benson analysis, can be employed. The investigations include the formulation of band-pass system equations (fourth, sixth and eighth-order polynomials) and the subsequent derivation of relations for the calculation of system parameters. The obtained results enable the calculation of optimum designs for prescribed alignments, e.g. (Chebyshev) equal-ripple, (Butterworth) maximally flat, or quasi-maximally flat (QB). The analysis covers fourth, sixth and eighth-order symmetrical systems. Eighth-order systems have been divided into three kinds according to three ways of physical realization. The doctoral dissertation includes band-pass loudspeaker systems, which can be designed with active or passive filters or without the filter. Designed systems consist of a loudspeaker whose front of a diaphragm is loaded with a Helmholtz resonator, i.e. an enclosure with a vent, which radiates sound outwards. The back is

  11. Symmetric Toeplitz-Structured Compressed Sensing Matrices

    NASA Astrophysics Data System (ADS)

    Huang, Tao; Fan, Yi-Zheng; Zhu, Ming

    2015-11-01

    How to construct a suitable measurement matrix is an important topic in compressed sensing. A significant part of the recent work is that the measurement matrices are not completely random on the entries but exhibit some considerable structures. In this paper, we proved that a symmetric Toeplitz matrix and its variant can be used as measurement matrices and recovery signal with high probability. Compared with random matrices (e.g. Gaussian and Bernoulli matrices) and some structured matrices (e.g. Toeplitz and circulant matrices), we need to generate fewer independent entries to obtain the measurement matrix while the effectiveness of the recovery keeps good.

  12. Scalar resonances in axially symmetric spacetimes

    NASA Astrophysics Data System (ADS)

    Ranea-Sandoval, Ignacio F.; Vucetich, Héctor

    2015-03-01

    We study properties of resonant solutions to the scalar wave equation in several axially symmetric spacetimes. We prove that nonaxial resonant modes do not exist neither in the Lanczos dust cylinder, the extreme (2 + 1) dimensional Bañados-Taitelboim-Zanelli (BTZ) spacetime nor in a class of simple rotating wormhole solutions. Moreover, we find unstable solutions to the wave equation in the Lanczos dust cylinder and in the r2 < 0 region of the extreme (2 + 1) dimensional BTZ spacetime, two solutions that possess closed timelike curves. Similarities with previous results obtained for the Kerr spacetime are explored.

  13. Quantum asymmetric cryptography with symmetric keys

    NASA Astrophysics Data System (ADS)

    Gao, Fei; Wen, Qiaoyan; Qin, Sujuan; Zhu, Fuchen

    2009-12-01

    Based on quantum encryption, we present a new idea for quantum public-key cryptography (QPKC) and construct a whole theoretical framework of a QPKC system. We show that the quantum-mechanical nature renders it feasible and reasonable to use symmetric keys in such a scheme, which is quite different from that in conventional public-key cryptography. The security of our scheme is analyzed and some features are discussed. Furthermore, the state-estimation attack to a prior QPKC scheme is demonstrated.

  14. Synthesis of controllers for symmetric systems

    NASA Astrophysics Data System (ADS)

    Ameur Abid, Chiheb; Zouari, Belhassen

    2010-11-01

    This article deals with supervisory control problem for coloured Petri (CP) nets. Considering a CP-net, we build a condensed version of the ordinary state-space, namely the symbolic reachability graph (SRG). This latter graph allows to cope with state-space explosion problem for symmetric systems. The control specification can be expressed in terms of either forbidden states or forbidden sequences of transitions. According to these specifications, we derive the controller by applying the theory of regions on the basis of the SRG. Thanks to expressiveness power of CP-nets, the obtained controller to be connected to the plant model is reduced to one single place.

  15. Electrical control of phonon-mediated spin relaxation rate in semiconductor quantum dots: Rashba versus Dresselhaus spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Prabhakar, Sanjay; Melnik, Roderick; Bonilla, Luis L.

    2013-06-01

    In symmetric quantum dots (QDs), it is well known that the spin hot spot (i.e., the cusplike structure due to the presence of degeneracy near the level or anticrossing point) is present for the pure Rashba case but is absent for the pure Dresselhaus case [Bulaev and Loss, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.95.076805 95, 076805 (2005)]. Since the Dresselhaus spin-orbit coupling dominates over the Rashba spin-orbit coupling in GaAs and GaSb QDs, it is important to find the exact location of the spin hot spot or the cusplike structure even for the pure Dresselhaus case. In this paper, we present analytical and numerical results that show that the spin hot spot can also be seen for the pure Dresselhaus spin-orbit coupling case by inducing large anisotropy through external gates. At or nearby the spin hot spot, the spin transition rate increases and the decoherence time decreases by several orders of magnitude compared to the case with no spin hot spot. Thus one should avoid such locations when designing QD spin based transistors for possible implementation in quantum logic gates, solid-state quantum computing, and quantum information processing. It is also possible to extract the exact experimental data [Amasha, MacLean, Radu, Zumbühl, Kastner, Hanson, and Gossard, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.100.046803 100, 046803 (2008] for the phonon mediated spin-flip rates from our developed theoretical model.

  16. Exchange interaction and rashba spin splitting effects in electron spin resonance in narrow-gap quantum wells

    SciTech Connect

    Krishtopenko, S. S.; Malyzhenkov, A. V.; Kalinin, K. P.; Ikonnikov, A. V.; Maremyanin, K. V.; Gavrilenko, V. I.; Goiran, M.

    2013-12-04

    We report a study of electron spin resonance (ESR) in a perpendicular magnetic field in n-type narrow-gap quantum well (QW) heterostructures. Using the Hartree-Fock approximation, based on the 8×8 k⋅p Hamiltonian, the many-body corrections to the ESR energy are found to be nonzero in symmetric and asymmetric narrow-gap QWs. We demonstrate a significant enhancement of the ESR energy in asymmetric QWs, induced by the Rashba spin splitting and exchange interaction, as well as the exchange-induced enhancement of the ESR energy in symmetric QWs. The ESR energies estimated for 2DEG in InAs/AlSb QWs are compared with experimental results in weak magnetic fields.

  17. Observation of Interaction of Spin and Intrinsic Orbital Angular Momentum of Light

    NASA Astrophysics Data System (ADS)

    Vitullo, Dashiell L. P.; Leary, Cody C.; Gregg, Patrick; Smith, Roger A.; Reddy, Dileep V.; Ramachandran, Siddharth; Raymer, Michael G.

    2017-02-01

    The interaction of spin and intrinsic orbital angular momentum of light is observed, as evidenced by length-dependent rotations of both spatial patterns and optical polarization in a cylindrically symmetric isotropic optical fiber. Such rotations occur in a straight few-mode fiber when superpositions of two modes with parallel and antiparallel orientation of spin and intrinsic orbital angular momentum (IOAM =2 ℏ ) are excited, resulting from a degeneracy splitting of the propagation constants of the modes.

  18. Spinning eggs and ballerinas

    NASA Astrophysics Data System (ADS)

    Cross, Rod

    2013-01-01

    Measurements are presented on the rise of a spinning egg. It was found that the spin, the angular momentum and the kinetic energy all decrease as the egg rises, unlike the case of a ballerina who can increase her spin and kinetic energy by reducing her moment of inertia. The observed effects can be explained, in part, in terms of rolling friction between the egg and the surface on which it spins.

  19. Free energy of mean-field spin-glass models: Evolution operator and perturbation expansion

    NASA Astrophysics Data System (ADS)

    Janiš, V.; Kauch, A.; Klíč, A.

    2013-02-01

    The full mean-field solution of spin glass models with a continuous order-parameter function is not directly available and approximate schemes must be used to assess its properties. One of the authors recently proposed a representation of the free energy generating this solution via an evolution operator parametrized by attainable values of overlap of magnetizations between different states. Here, we introduce a perturbation expansion for the evolution operator that we use to derive all thermodynamic characteristics via the standard methods of statistical mechanics. We obtain a generic scheme for an approximate calculation of physical quantities of different mean-field spin-glass models at all temperatures. The small expansion parameter is a difference between the continuous order-parameter function and the corresponding order parameter from the solution with one level of replica-symmetry breaking. The first correction beyond the approximation with one level of replica-symmetry breaking is explicitly evaluated in the glassy phase of the Sherrington-Kirkpatrick model.

  20. Novel approach to the fabrication of an artificial small bone using a combination of sponge replica and electrospinning methods

    NASA Astrophysics Data System (ADS)

    Kim, Yang-Hee; Lee, Byong-Taek

    2011-06-01

    In this study, a novel artificial small bone consisting of ZrO2-biphasic calcium phosphate/polymethylmethacrylate-polycaprolactone-hydroxyapatite (ZrO2-BCP/PMMA-PCL-HAp) was fabricated using a combination of sponge replica and electrospinning methods. To mimic the cancellous bone, the ZrO2/BCP scaffold was composed of three layers, ZrO2, ZrO2/BCP and BCP, fabricated by the sponge replica method. The PMMA-PCL fibers loaded with HAp powder were wrapped around the ZrO2/BCP scaffold using the electrospinning process. To imitate the Haversian canal region of the bone, HAp-loaded PMMA-PCL fibers were wrapped around a steel wire of 0.3 mm diameter. As a result, the bundles of fiber wrapped around the wires imitated the osteon structure of the cortical bone. Finally, the ZrO2/BCP scaffold was surrounded by HAp-loaded PMMA-PCL composite bundles. After removal of the steel wires, the ZrO2/BCP scaffold and bundles of HAp-loaded PMMA-PCL formed an interconnected structure resembling the human bone. Its diameter, compressive strength and porosity were approximately 12 mm, 5 MPa and 70%, respectively, and the viability of MG-63 osteoblast-like cells was determined to be over 90% by the MTT (3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide) assay. This artificial bone shows excellent cytocompatibility and is a promising bone regeneration material.

  1. Morphology of elastase-induced cerebral aneurysm model in rabbit and rapid prototyping of elastomeric transparent replicas.

    PubMed

    Seong, Jaehoon; Sadasivan, Chander; Onizuka, Masanari; Gounis, Matthew J; Christian, Fletcher; Miskolczi, Laszlo; Wakhloo, Ajay K; Lieber, Baruch B

    2005-01-01

    In this work, we describe a methodology to fabricate transparent elastomeric vascular replicas using rapid prototyping techniques. First, the three-dimensional morphology of an elastase-induced aneurysm model in rabbit is acquired. The morphology is reconstructed from in vivo rotational angiography and it is compared with three-dimensional reconstructions obtained by computerized tomography and magnetic resonance imaging of an intraluminal arterial cast that was obtained from the same animal at sacrifice. Results show that resolution of the imaging modality strongly influences the level of detail, such as small side branches, in the final reconstruction. We developed an average morphology model for elastase-induced aneurysms in rabbits including the surrounding vasculature and describe a method for rapid prototyping of vascular models from the three-dimensional morphology. Our replicas can be manufactured in a short period of time and the final product is optically clear. In addition, the elasticity of the models can be controlled to represent arterial elasticity, which makes them ideal for optical investigations of detailed flow dynamics using measurement tools such as particle image velocimetry.

  2. Structure of Alzheimer's 10-35 β peptide from replica-exchange molecular dynamics simulations in explicit water

    NASA Astrophysics Data System (ADS)

    Baumketner, Andriy; Shea, Joan-Emma

    2006-03-01

    We report a replica-exchange molecular dynamics study of the 10-35 fragment of Alzheimer's disease amyloid β peptide, Aβ10-35, in aqueous solution. This fragment was previously seen [J. Str. Biol. 130 (2000) 130] to possess all the most important amyloidogenic properties characteristic of full-length Aβ peptides. Our simulations attempted to fold Aβ10-35 from first principles. The peptide was modeled using all-atom OPLS/AA force field in conjunction with the TIP3P explicit solvent model. A total of 72 replicas were considered and simulated over 40 ns of total time, including 5 ns of initial equilibration. We find that Aβ10-35 does not possess any unique folded state, a 3D structure of predominant population, under normal temperature and pressure. Rather, this peptide exists as a mixture of collapsed globular states that remain in rapid dynamic equilibrium with each other. This conformational ensemble is seen to be dominated by random coil and bend structures with insignificant presence of α-helical or β-sheet structure. We find that, overall, the 3D structure of Aβ10-35 is shaped by salt bridges formed between oppositely charged residues.Of all possible salt bridges, K28-D23 was seen to have the highest formation probability, totaling more than 60% of the time.

  3. Evaluating the Use of Synthetic Replicas for SEM Identification of Bloodstains (with Emphasis on Archaeological and Ethnographic Artifacts).

    PubMed

    Hortolà, Policarp

    2015-12-01

    Some archaeological or ethnographic specimens are unavailable for direct examination using a scanning electron microscope (SEM) due to methodological obstacles or legal issues. In order to assess the feasibility of using SEM synthetic replicas for the identification of bloodstains (BSs) via morphology of red blood cells (RBCs), three fragments of different natural raw material (inorganic, stone; plant, wood; animal, shell) were smeared with peripheral human blood. Afterwards, molds and casts of the bloodstained areas were made using vinyl polysiloxane (VPS) silicone impression and polyurethane (PU) resin casting material, respectively. Then, the original samples and the resulting casts were coated with gold and examined in secondary-electron mode using a high-vacuum SEM. Results suggest that PU resin casts obtained from VPS silicone molds can preserve RBC morphology in BSs, and consequently that synthetic replicas are feasible for SEM identification of BSs on cultural heritage specimens made of natural raw materials. Although the focus of this study was on BSs, the method reported in this paper may be applicable to organic residues other than blood, as well as to the surface of other specimens when, for any reason, the original is unavailable for an SEM.

  4. Effect of boundary conditions on the strength and deformability of replicas of natural fractures in welded tuff: Data analysis

    SciTech Connect

    Wibowo, J.; Amadei, B.; Sture, S.; Price, R.H.

    1994-04-01

    Assessing the shear behavior of intact rock & rock fractures is an important issue in the design of a potential nuclear waste repository at Yucca Mountain Nevada. Cyclic direct shear experiments were conducted on replicas of three natural fractures and a laboratory-developed tensile fracture of welded tuff. The tests were carried out under constant normal loads or constant normal stiffnesses with different initial normal load levels. Each test consisted of five cycles of forward and reverse shear motion. Based on the results of the shear tests conducted under constant normal load, the shear behavior of the joint replicas tested under constant normal stiffness was predicted by using the graphical analysis method of Saeb (1989), and Amadei and Saeb (1990). Comparison between the predictions and the actual constant stiffness direct shear experiment results can be found in a report by Wibowo et al. (1993b). Results of the constant normal load shear experiments are analyzed using several constitutive models proposed in the rock mechanics literature for joint shear strength, dilatancy, and joint surface damage. It is shown that some of the existing models have limitations. New constitutive models are proposed and are included in a mathematical analysis tool that can be used to predict joint behavior under various boundary conditions.

  5. Spinning Eggs and Ballerinas

    ERIC Educational Resources Information Center

    Cross, Rod

    2013-01-01

    Measurements are presented on the rise of a spinning egg. It was found that the spin, the angular momentum and the kinetic energy all decrease as the egg rises, unlike the case of a ballerina who can increase her spin and kinetic energy by reducing her moment of inertia. The observed effects can be explained, in part, in terms of rolling friction…

  6. Wurtzite spin lasers

    NASA Astrophysics Data System (ADS)

    Faria Junior, Paulo E.; Xu, Gaofeng; Chen, Yang-Fang; Sipahi, Guilherme M.; Žutić, Igor

    2017-03-01

    Semiconductor lasers are strongly altered by adding spin-polarized carriers. Such spin lasers could overcome many limitations of their conventional (spin-unpolarized) counterparts. While the vast majority of experiments in spin lasers employed zinc-blende semiconductors, the room-temperature electrical manipulation was first demonstrated in wurtzite GaN-based lasers. However, the underlying theoretical description of wurtzite spin lasers is still missing. To address this situation, focusing on (In,Ga)N-based wurtzite quantum wells, we develop a theoretical framework in which the calculated microscopic spin-dependent gain is combined with a simple rate equation model. A small spin-orbit coupling in these wurtzites supports simultaneous spin polarizations of electrons and holes, providing unexplored opportunities to control spin lasers. For example, the gain asymmetry, as one of the key figures of merit related to spin amplification, can change the sign by simply increasing the carrier density. The lasing threshold reduction has a nonmonotonic dependence on electron-spin polarization, even for a nonvanishing hole spin polarization.

  7. Entanglement entropy in quantum spin chains with broken reflection symmetry

    SciTech Connect

    Kadar, Zoltan; Zimboras, Zoltan

    2010-09-15

    We investigate the entanglement entropy of a block of L sites in quasifree translation-invariant spin chains concentrating on the effect of reflection-symmetry breaking. The Majorana two-point functions corresponding to the Jordan-Wigner transformed fermionic modes are determined in the most general case; from these, it follows that reflection symmetry in the ground state can only be broken if the model is quantum critical. The large L asymptotics of the entropy are calculated analytically for general gauge-invariant models, which have, until now, been done only for the reflection-symmetric sector. Analytical results are also derived for certain nongauge-invariant models (e.g., for the Ising model with Dzyaloshinskii-Moriya interaction). We also study numerically finite chains of length N with a nonreflection-symmetric Hamiltonian and report that the reflection symmetry of the entropy of the first L spins is violated but the reflection-symmetric Calabrese-Cardy formula is recovered asymptotically. Furthermore, for noncritical reflection-symmetry-breaking Hamiltonians, we find an anomaly in the behavior of the saturation entropy as we approach the critical line. The paper also provides a concise but extensive review of the block-entropy asymptotics in translation-invariant quasifree spin chains with an analysis of the nearest-neighbor case and the enumeration of the yet unsolved parts of the quasifree landscape.

  8. Numerical results for the Edwards-Anderson spin-glass model at low temperature

    NASA Astrophysics Data System (ADS)

    Fernández, Julio F.; Alonso, Juan J.

    2013-04-01

    We have simulated Edwards-Anderson (EA) as well as Sherrington-Kirkpatrick systems of L3 spins. After averaging over large sets of EA system samples of 3≤L≤10, we obtain accurate numbers for distributions p(q) of the overlap parameter q at very low-temperature T. We find p(0)/T→0.233(4) as T→0. This is in contrast with the droplet scenario of spin glasses. We also study the number of mismatched links—between replica pairs—that come with large scale excitations. Contributions from small scale excitations are discarded. We thus obtain for the fractal dimension of outer surfaces of q˜0 excitations in the EA model ds→2.59(3) as T→0. This is in contrast with ds→3 as T→0 that is predicted by mean-field theory for the macroscopic limit.

  9. Electroweak Baryogenesis in R-symmetric Supersymmetry

    SciTech Connect

    Fok, R.; Kribs, Graham D.; Martin, Adam; Tsai, Yuhsin

    2013-03-01

    We demonstrate that electroweak baryogenesis can occur in a supersymmetric model with an exact R-symmetry. The minimal R-symmetric supersymmetric model contains chiral superfields in the adjoint representation, giving Dirac gaugino masses, and an additional set of "R-partner" Higgs superfields, giving R-symmetric \\mu-terms. New superpotential couplings between the adjoints and the Higgs fields can simultaneously increase the strength of the electroweak phase transition and provide additional tree-level contributions to the lightest Higgs mass. Notably, no light stop is present in this framework, and in fact, we require both stops to be above a few TeV to provide sufficient radiative corrections to the lightest Higgs mass to bring it up to 125 GeV. Large CP-violating phases in the gaugino/higgsino sector allow us to match the baryon asymmetry of the Universe with no constraints from electric dipole moments due to R-symmetry. We briefly discuss some of the more interesting phenomenology, particularly of the of the lightest CP-odd scalar.

  10. Fast numerical determination of symmetric sparsity patterns

    SciTech Connect

    Carter, R.G.

    1994-08-01

    The author considers a function g: {Re}{sup n} {yields} {Re}{sup n} for which the Jacobian is symmetric and sparse. Such functions often arise, for instance, in numerical optimization, where g is the gradient of some objective function f so that the Jacobian of g is the Hessian of f. In many such applications one can generate extremely efficient algorithms by taking advantage of the sparsity structure of the problem if this pattern is known a priori. Unfortunately, determining such sparsity structures by hand is often difficult and prone to error. If one suspects a mistake has been made, or if g is a {open_quotes}black box{close_quotes} so that the true structure is completely unknown, one often has no alternative but to compute the entire matrix by finite differences - a prohibitively expensive task for large problems. The author shows that it is possible to numerically determine symmetric sparsity patterns using a relatively small number of g evaluations. Numerical results are shown for n up to 100,000 in which all nonzeros in the Jacobian are correctly identified in about one-hundredth of the time required to estimate the sparsity structure by a full finite difference calculation. When a good initial guess for the sparsity structure is available, numerical results are presented for n up to 500,000, in which all missing nonzeros are correctly located almost five-thousand times faster than would be possible with a full finite difference calculation.

  11. The modelling of symmetric airfoil vortex generators

    NASA Technical Reports Server (NTRS)

    Reichert, B. A.; Wendt, B. J.

    1996-01-01

    An experimental study is conducted to determine the dependence of vortex generator geometry and impinging flow conditions on shed vortex circulation and crossplane peak vorticity for one type of vortex generator. The vortex generator is a symmetric airfoil having a NACA 0012 cross-sectional profile. The geometry and flow parameters varied include angle-of-attack alfa, chordlength c, span h, and Mach number M. The vortex generators are mounted either in isolation or in a symmetric counter-rotating array configuration on the inside surface of a straight pipe. The turbulent boundary layer thickness to pipe radius ratio is delta/R = 0. 17. Circulation and peak vorticity data are derived from crossplane velocity measurements conducted at or about 1 chord downstream of the vortex generator trailing edge. Shed vortex circulation is observed to be proportional to M, alfa, and h/delta. With these parameters held constant, circulation is observed to fall off in monotonic fashion with increasing airfoil aspect ratio AR. Shed vortex peak vorticity is also observed to be proportional to M, alfa, and h/delta. Unlike circulation, however, peak vorticity is observed to increase with increasing aspect ratio, reaching a peak value at AR approx. 2.0 before falling off.

  12. Spherically Symmetric Solutions of Light Galileon

    NASA Astrophysics Data System (ADS)

    Momeni, D.; Houndjo, M. J. S.; Güdekli, E.; Rodrigues, M. E.; Alvarenga, F. G.; Myrzakulov, R.

    2016-02-01

    We have been studied the model of light Galileon with translational shift symmetry ϕ → ϕ + c. The matter Lagrangian is presented in the form {L}_{φ }= -η (partial φ )2+β G^{μ ν }partial _{μ }φ partial _{ν }φ . We have been addressed two issues: the first is that, we have been proven that, this type of Galileons belong to the modified matter-curvature models of gravity in type of f(R,R^{μ ν }T_{μ ν }m). Secondly, we have been investigated exact solution for spherically symmetric geometries in this model. We have been found an exact solution with singularity at r = 0 in null coordinates. We have been proven that the solution has also a non-divergence current vector norm. This solution can be considered as an special solution which has been investigated in literature before, in which the Galileon's field is non-static (time dependence). Our scalar-shift symmetrized Galileon has the simple form of ϕ = t, which it is remembered by us dilaton field.

  13. Compressible flow about symmetrical Joukowski profiles

    NASA Technical Reports Server (NTRS)

    Kaplan, Carl

    1938-01-01

    The method of Poggi is employed for the determination of the effects of compressibility upon the flow past an obstacle. A general expression for the velocity increment due to compressibility is obtained. The general result holds whatever the shape of the obstacle; but, in order to obtain the complete solution, it is necessary to know a certain Fourier expansion of the square of the velocity of flow past the obstacle. An application is made to the case flow of a symmetrical Joukowski profile with a sharp trailing edge, fixed in a stream of an arbitrary angle of attack and with the circulation determined by the Kutta condition. The results are obtained in a closed form and are exact insofar as the second approximation to the compressible flow is concerned, the first approximation being the result for the corresponding incompressible flow. Formulas for lift and moment analogous to the Blasius formulas in incompressible flow are developed and are applied to thin symmetrical Joukowski profiles for small angles of attack.

  14. Designing Quantum Spin-Orbital Liquids in Artificial Mott Insulators

    PubMed Central

    Dou, Xu; Kotov, Valeri N.; Uchoa, Bruno

    2016-01-01

    Quantum spin-orbital liquids are elusive strongly correlated states of matter that emerge from quantum frustration between spin and orbital degrees of freedom. A promising route towards the observation of those states is the creation of artificial Mott insulators where antiferromagnetic correlations between spins and orbitals can be designed. We show that Coulomb impurity lattices on the surface of gapped honeycomb substrates, such as graphene on SiC, can be used to simulate SU(4) symmetric spin-orbital lattice models. We exploit the property that massive Dirac fermions form mid-gap bound states with spin and valley degeneracies in the vicinity of a Coulomb impurity. Due to electronic repulsion, the antiferromagnetic correlations of the impurity lattice are driven by a super-exchange interaction with SU(4) symmetry, which emerges from the bound states degeneracy at quarter filling. We propose that quantum spin-orbital liquids can be engineered in artificially designed solid-state systems at vastly higher temperatures than achievable in optical lattices with cold atoms. We discuss the experimental setup and possible scenarios for candidate quantum spin-liquids in Coulomb impurity lattices of various geometries. PMID:27553516

  15. Designing Quantum Spin-Orbital Liquids in Artificial Mott Insulators

    DOE PAGES

    Dou, Xu; Kotov, Valeri N.; Uchoa, Bruno

    2016-08-24

    Quantum spin-orbital liquids are elusive strongly correlated states of matter that emerge from quantum frustration between spin and orbital degrees of freedom. A promising route towards the observation of those states is the creation of artificial Mott insulators where antiferromagnetic correlations between spins and orbitals can be designed. We show that Coulomb impurity lattices on the surface of gapped honeycomb substrates, such as graphene on SiC, can be used to simulate SU(4) symmetric spin-orbital lattice models. We exploit the property that massive Dirac fermions form mid-gap bound states with spin and valley degeneracies in the vicinity of a Coulomb impurity.more » Due to electronic repulsion, the antiferromagnetic correlations of the impurity lattice are driven by a super-exchange interaction with SU(4) symmetry, which emerges from the bound states degeneracy at quarter filling. We propose that quantum spin-orbital liquids can be engineered in artificially designed solid-state systems at vastly higher temperatures than achievable in optical lattices with cold atoms. Lastly, we discuss the experimental setup and possible scenarios for candidate quantum spin-liquids in Coulomb impurity lattices of various geometries.« less

  16. Designing Quantum Spin-Orbital Liquids in Artificial Mott Insulators

    SciTech Connect

    Dou, Xu; Kotov, Valeri N.; Uchoa, Bruno

    2016-08-24

    Quantum spin-orbital liquids are elusive strongly correlated states of matter that emerge from quantum frustration between spin and orbital degrees of freedom. A promising route towards the observation of those states is the creation of artificial Mott insulators where antiferromagnetic correlations between spins and orbitals can be designed. We show that Coulomb impurity lattices on the surface of gapped honeycomb substrates, such as graphene on SiC, can be used to simulate SU(4) symmetric spin-orbital lattice models. We exploit the property that massive Dirac fermions form mid-gap bound states with spin and valley degeneracies in the vicinity of a Coulomb impurity. Due to electronic repulsion, the antiferromagnetic correlations of the impurity lattice are driven by a super-exchange interaction with SU(4) symmetry, which emerges from the bound states degeneracy at quarter filling. We propose that quantum spin-orbital liquids can be engineered in artificially designed solid-state systems at vastly higher temperatures than achievable in optical lattices with cold atoms. Lastly, we discuss the experimental setup and possible scenarios for candidate quantum spin-liquids in Coulomb impurity lattices of various geometries.

  17. Decay Structure for Symmetric Hyperbolic Systems with Non-Symmetric Relaxation and its Application

    NASA Astrophysics Data System (ADS)

    Ueda, Yoshihiro; Duan, Renjun; Kawashima, Shuichi

    2012-07-01

    This paper is concerned with the decay structure for linear symmetric hyperbolic systems with relaxation. When the relaxation matrix is symmetric, the dissipative structure of the systems is completely characterized by the Kawashima-Shizuta stability condition formulated in Umeda et al. (Jpn J Appl Math 1:435-457, 1984) and Shizuta and Kawashima (Hokkaido Math J 14:249-275, 1985) and we obtain the asymptotic stability result together with the explicit time-decay rate under that stability condition. However, some physical models which satisfy the stability condition have non-symmetric relaxation term (for example, the Timoshenko system and the Euler-Maxwell system). Moreover, it had been already known that the dissipative structure of such systems is weaker than the standard type and is of the regularity-loss type (see Duan in J Hyperbolic Differ Equ 8:375-413, 2011; Ide et al. in Math Models Meth Appl Sci 18:647-667, 2008; Ide and Kawashima in Math Models Meth Appl Sci 18:1001-1025, 2008; Ueda et al. in SIAM J Math Anal 2012; Ueda and Kawashima in Methods Appl Anal 2012). Therefore our purpose in this paper is to formulate a new structural condition which includes the Kawashima-Shizuta condition, and to analyze the weak dissipative structure for general systems with non-symmetric relaxation.

  18. Evidence against a mean-field description of short-range spin glasses revealed through thermal boundary conditions

    NASA Astrophysics Data System (ADS)

    Wang, Wenlong; Machta, Jonathan; Katzgraber, Helmut G.

    2014-11-01

    A theoretical description of the low-temperature phase of short-range spin glasses has remained elusive for decades. In particular, it is unclear if theories that assert a single pair of pure states, or theories that are based on infinitely many pure states—such as replica symmetry breaking—best describe realistic short-range systems. To resolve this controversy, the three-dimensional Edwards-Anderson Ising spin glass in thermal boundary conditions is studied numerically using population annealing Monte Carlo. In thermal boundary conditions all eight combinations of periodic vs antiperiodic boundary conditions in the three spatial directions appear in the ensemble with their respective Boltzmann weights, thus minimizing finite-size corrections due to domain walls. From the relative weighting of the eight boundary conditions for each disorder instance a sample stiffness is defined, and its typical value is shown to grow with system size according to a stiffness exponent. An extrapolation to the large-system-size limit is in agreement with a description that supports the droplet picture and other theories that assert a single pair of pure states. The results are, however, incompatible with the mean-field replica symmetry breaking picture, thus highlighting the need to go beyond mean-field descriptions to accurately describe short-range spin-glass systems.

  19. Neutrino mean free paths in cold symmetric nuclear matter

    SciTech Connect

    Cowell, S.; Pandharipande, V.R.

    2004-09-01

    The neutrino mean free paths (NMFP) for scattering and absorption in cold symmetric nuclear matter (SNM) are calculated using two-body effective interactions and one-body effective weak operators obtained from realistic models of nuclear forces using correlated basis theory. The infinite system is modeled in a box with periodic boundary conditions and the one particle-hole (p-h) response functions are calculated using the Tamm-Dancoff approximation (TDA). For the densities {rho}=(1/2), 1 (3/2){rho}{sub 0}, where {rho}{sub 0} is the equilibrium density of SNM, the strength of the response is shifted to higher energy transfers when compared to a noninteracting Fermi gas (FG). This and the weakness of effective operators compared to the bare operators, significantly reduces the cross sections, enhancing the NMFP by factors of {approx}2.5-3.5 at the densities considered. The NMFP at the equilibrium density {rho}{sub 0} are also calculated using the TDA and random phase approximation (RPA) using zero range Skyrme-like effective interactions with parameters chosen to reproduce the equation of state and spin-isospin susceptibilities of matter. Their results indicate that RPA corrections to correlated TDA may further increase the NMFP by {approx}25% to 3-4 times those in a noninteracting FG. Finally, the sums and the energy weighted sums of the Fermi and Gamow-Teller responses obtained from the correlated ground state are compared with those of the 1 p-h response functions to extract the sum and mean energies of multi p-h contributions to the weak response. The relatively large mean energy of the multi p-h excitations suggests that they may not contribute significantly to low energy NMFP.

  20. A replica exchange Monte Carlo algorithm for protein folding in the HP model

    PubMed Central

    Thachuk, Chris; Shmygelska, Alena; Hoos, Holger H

    2007-01-01

    Background The ab initio protein folding problem consists of predicting protein tertiary structure from a given amino acid sequence by minimizing an energy function; it is one of the most important and challenging problems in biochemistry, molecular biology and biophysics. The ab initio protein folding problem is computationally challenging and has been shown to be NP MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacH8akY=wiFfYdH8Gipec8Eeeu0xXdbba9frFj0=OqFfea0dXdd9vqai=hGuQ8kuc9pgc9s8qqaq=dirpe0xb9q8qiLsFr0=vr0=vr0dc8meaabaqaciaacaGaaeqabaqabeGadaaakeaat0uy0HwzTfgDPnwy1egaryqtHrhAL1wy0L2yHvdaiqaacqWFneVtcqqGqbauaaa@3961@-hard even when conformations are restricted to a lattice. In this work, we implement and evaluate the replica exchange Monte Carlo (REMC) method, which has already been applied very successfully to more complex protein models and other optimization problems with complex energy landscapes, in combination with the highly effective pull move neighbourhood in two widely studied Hydrophobic Polar (HP) lattice models. Results We demonstrate that REMC is highly effective for solving instances of the square (2D) and cubic (3D) HP protein folding problem. When using the pull move neighbourhood, REMC outperforms current state-of-the-art algorithms for most benchmark instances. Additionally, we show that this new algorithm provides a larger ensemble of ground-state structures than the existing state-of-the-art methods. Furthermore, it scales well with sequence length, and it finds significantly better conformations on long biological sequences and sequences with a provably unique ground-state structure, which is believed to be a characteristic of real proteins. We also present evidence that our REMC algorithm can fold sequences which exhibit significant interaction between termini in the hydrophobic core relatively easily. Conclusion We demonstrate that REMC utilizing the pull move neighbourhood