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Sample records for replica symmetric spin

  1. The Replica Symmetric Approximation of the Analogical Neural Network

    NASA Astrophysics Data System (ADS)

    Barra, Adriano; Genovese, Giuseppe; Guerra, Francesco

    2010-08-01

    In this paper we continue our investigation of the analogical neural network, by introducing and studying its replica symmetric approximation in the absence of external fields. Bridging the neural network to a bipartite spin-glass, we introduce and apply a new interpolation scheme to its free energy, that naturally extends the interpolation via cavity fields or stochastic perturbations from the usual spin glass case to these models. While our methods allow the formulation of a fully broken replica symmetry scheme, in this paper we limit ourselves to the replica symmetric case, in order to give the basic essence of our interpolation method. The order parameters in this case are given by the assumed averages of the overlaps for the original spin variables, and for the new Gaussian variables. As a result, we obtain the free energy of the system as a sum rule, which, at least at the replica symmetric level, can be solved exactly, through a self-consistent mini-max variational principle. The so gained replica symmetric approximation turns out to be exactly correct in the ergodic region, where it coincides with the annealed expression for the free energy, and in the low density limit of stored patterns. Moreover, in the spin glass limit it gives the correct expression for the replica symmetric approximation in this case. We calculate also the entropy density in the low temperature region, where we find that it becomes negative, as expected for this kind of approximation. Interestingly, in contrast with the case where the stored patterns are digital, no phase transition is found in the low temperature limit, as a function of the density of stored patterns.

  2. Replica bounds for diluted non-Poissonian spin systems

    NASA Astrophysics Data System (ADS)

    Franz, Silvio; Leone, Michele; Lucio Toninelli, Fabio

    2003-10-01

    In this paper we extend replica bounds and free energy subadditivity arguments to diluted spin-glass models on graphs with arbitrary, non-Poissonian degree distribution. The new difficulties specific of this case are overcome introducing an interpolation procedure that stresses the relation between interpolation methods and the cavity method. As a byproduct we obtain self-averaging identities that generalize the Ghirlanda-Guerra ones to the multi-overlap case.

  3. Replica analysis of the generalized p-spin interaction glass model.

    SciTech Connect

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

    2011-10-13

    We investigate the stability of replica symmetry breaking solutions in generalized p-spin models. It is shown that the kind of the transition to the one-step replica symmetry breaking state depends not only on the presence or absence of the reflection symmetry of the generalized 'spin'-operators {cflx U} but on the number of interacting operators and their individual characteristics.

  4. 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.

  5. On one-step replica symmetry breaking in the Edwards–Anderson spin glass model

    NASA Astrophysics Data System (ADS)

    Del Ferraro, Gino; Wang, Chuang; Zhou, Hai-Jun; Aurell, Erik

    2016-07-01

    We consider a one-step replica symmetry breaking description of the Edwards–Anderson spin glass model in 2D. The ingredients of this description are a Kikuchi approximation to the free energy and a second-level statistical model built on the extremal points of the Kikuchi approximation, which are also fixed points of a generalized belief propagation (GBP) scheme. We show that a generalized free energy can be constructed where these extremal points are exponentially weighted by their Kikuchi free energy and a Parisi parameter y, and that the Kikuchi approximation of this generalized free energy leads to second-level, one-step replica symmetry breaking (1RSB), GBP equations. We then proceed analogously to the Bethe approximation case for tree-like graphs, where it has been shown that 1RSB belief propagation equations admit a survey propagation solution. We discuss when and how the one-step-replica symmetry breaking GBP equations that we obtain also allow a simpler class of solutions which can be interpreted as a class of generalized survey propagation equations for the single instance graph case.

  6. Replica analysis of Franz-Parisi potential for sparse systems

    NASA Astrophysics Data System (ADS)

    Ueda, Masahiko; Kabashima, Yoshiyuki

    2015-04-01

    We propose a method for calculating the Franz-Parisi potential for spin glass models on sparse random graphs using the replica method under the replica symmetric ansatz. The resulting self-consistent equations have the solution with the characteristic structure of multi-body overlaps, and the self-consistent equations under this solution are equivalent to the one-step replica symmetry breaking (1RSB) cavity equation with Parisi parameter x = 1. This method is useful for the evaluation of transition temperatures of the p-spin model on regular random graphs under a uniform magnetic field.

  7. Exact Solution of the Gauge Symmetric p-Spin Glass Model on a Complete Graph

    NASA Astrophysics Data System (ADS)

    Korada, Satish Babu; Macris, Nicolas

    2009-07-01

    We consider a gauge symmetric version of the p-spin glass model on a complete graph. The gauge symmetry guarantees the absence of replica symmetry breaking and allows to fully use the interpolation scheme of Guerra (Fields Inst. Commun. 30:161, 2001) to rigorously compute the free energy. In the case of pairwise interactions ( p=2), where we have a gauge symmetric version of the Sherrington-Kirkpatrick model, we get the free energy and magnetization for all values of external parameters. Our analysis also works for even p≥4 except in a range of parameters surrounding the phase transition line, and for odd p≥3 in a more restricted region. We also obtain concentration estimates for the magnetization and overlap parameter that play a crucial role in the proofs for odd p and justify the absence of replica symmetry breaking. Our initial motivation for considering this model came from problems related to communication over a noisy channel, and is briefly explained.

  8. Spin fluids in stationary axis-symmetric space-times

    NASA Astrophysics Data System (ADS)

    Krisch, J. P.

    1987-07-01

    The relations establishing the equivalence of an ordinary perfect fluid stress-energy tensor and a spin fluid stress-energy tensor are derived for stationary axis-symmetric space-times in general relativity. Spin fluid sources for the Gödel cosmology and the van Stockum metric are given.

  9. Higher spins in the symmetric orbifold of K3

    NASA Astrophysics Data System (ADS)

    Baggio, Marco; Gaberdiel, Matthias R.; Peng, Cheng

    2015-07-01

    The symmetric orbifold of K3 is believed to be the conformal field theory (CFT) dual of string theory on AdS3×S3×K 3 at the tensionless point. For the case when the K3 is described by the orbifold T4/Z2 , we identify a subsector of the symmetric orbifold theory that is dual to a higher spin theory on AdS3 . We analyze how the Bogomol'nyi-Prasad-Sommerfield (BPS) spectrum of string theory can be described from the higher spin perspective and determine which single-particle BPS states are accounted for by the perturbative higher spin theory.

  10. Noise Suppression Using Symmetric Exchange Gates in Spin Qubits

    NASA Astrophysics Data System (ADS)

    Martins, Frederico; Malinowski, Filip K.; Nissen, Peter D.; Barnes, Edwin; Fallahi, Saeed; Gardner, Geoffrey C.; Manfra, Michael J.; Marcus, Charles M.; Kuemmeth, Ferdinand

    2016-03-01

    We demonstrate a substantial improvement in the spin-exchange gate using symmetric control instead of conventional detuning in GaAs spin qubits, up to a factor of six increase in the quality factor of the gate. For symmetric operation, nanosecond voltage pulses are applied to the barrier that controls the interdot potential between quantum dots, modulating the exchange interaction while maintaining symmetry between the dots. Excellent agreement is found with a model that separately includes electrical and nuclear noise sources for both detuning and symmetric gating schemes. Unlike exchange control via detuning, the decoherence of symmetric exchange rotations is dominated by rotation-axis fluctuations due to nuclear field noise rather than direct exchange noise.

  11. Noise Suppression Using Symmetric Exchange Gates in Spin Qubits.

    PubMed

    Martins, Frederico; Malinowski, Filip K; Nissen, Peter D; Barnes, Edwin; Fallahi, Saeed; Gardner, Geoffrey C; Manfra, Michael J; Marcus, Charles M; Kuemmeth, Ferdinand

    2016-03-18

    We demonstrate a substantial improvement in the spin-exchange gate using symmetric control instead of conventional detuning in GaAs spin qubits, up to a factor of six increase in the quality factor of the gate. For symmetric operation, nanosecond voltage pulses are applied to the barrier that controls the interdot potential between quantum dots, modulating the exchange interaction while maintaining symmetry between the dots. Excellent agreement is found with a model that separately includes electrical and nuclear noise sources for both detuning and symmetric gating schemes. Unlike exchange control via detuning, the decoherence of symmetric exchange rotations is dominated by rotation-axis fluctuations due to nuclear field noise rather than direct exchange noise. PMID:27035316

  12. Short-range Ising spin glasses: the metastate interpretation of replica symmetry breaking.

    PubMed

    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 W(d-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)≠∫(0)(1)dxq(x), then the

  13. A formula for the first eigenvalue of the Dirac operator on compact spin symmetric spaces

    SciTech Connect

    Milhorat, Jean-Louis

    2006-04-15

    Let G/K be a simply connected spin compact inner irreducible symmetric space, endowed with the metric induced by the Killing form of G sign-changed. We give a formula for the square of the first eigenvalue of the Dirac operator in terms of a root system of G. As an example of application, we give the list of the first eigenvalues for the spin compact irreducible symmetric spaces endowed with a quaternion-Kaehler structure.

  14. 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. PMID:27627255

  15. 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.

  16. Time-Reversal Symmetric U (1 ) Quantum Spin Liquids

    NASA Astrophysics Data System (ADS)

    Wang, Chong; Senthil, T.

    2016-01-01

    We study possible quantum U (1 ) spin liquids in three dimensions with time-reversal symmetry. We find a total of seven families of such U (1 ) spin liquids, distinguished by the properties of their emergent electric or magnetic charges. We show how these spin liquids are related to each other. Two of these classes admit nontrivial protected surface states which we describe. We show how to access all of the seven spin liquids through slave particle (parton) constructions. We also provide intuitive loop gas descriptions of their ground-state wave functions. One of these phases is the "topological Mott insulator," conventionally described as a topological insulator of an emergent fermionic "spinon." We show that this phase admits a remarkable dual description as a topological insulator of emergent fermionic magnetic monopoles. This results in a new (possibly natural) surface phase for the topological Mott insulator and a new slave particle construction. We describe some of the continuous quantum phase transitions between the different U (1 ) spin liquids. Each of these seven families of states admits a finer distinction in terms of their surface properties, which we determine by combining these spin liquids with symmetry-protected topological phases. We discuss lessons for materials such as pyrochlore quantum spin ices which may harbor a U (1 ) spin liquid. We suggest the topological Mott insulator as a possible ground state in some range of parameters for the quantum spin ice Hamiltonian.

  17. Symmetric Z2 spin liquids and their neighboring phases on triangular lattice

    NASA Astrophysics Data System (ADS)

    Lu, Yuan-Ming

    2016-04-01

    Motivated by recent numerical discovery of a gapped spin liquid phase in spin-1 /2 triangular-lattice J1-J2 Heisenberg model, we classify symmetric Z2 spin liquids on triangular lattice in the Abrikosov-fermion representation. We find 20 phases with distinct spinon symmetry quantum numbers, eight of which have their counterparts in the Schwinger-boson representation. Among them we identify two promising candidates (#1 and #20), which can realize a gapped Z2 spin liquid with up to next nearest neighbor mean-field amplitudes. We analyze their neighboring magnetic orders and valence bond solid patterns, and find one state (#20) that is connected to 120-degree Neel order by a continuous quantum phase transition. We also identify gapped nematic Z2 spin liquids in the neighborhood of the symmetric states and find three promising candidates (#1, #6, and #20).

  18. Spin Entanglement with {PT} Symmetric Hamiltonian in a Curved Static Space-Time

    NASA Astrophysics Data System (ADS)

    Mebarki, N.; Morchedi, A.; Aissaoui, H.

    2015-11-01

    Entanglement of spin systems in a curved static space-time with {PT} symmetric Hamiltonian is studied. It turns out that although a bipartite initial state is non entangled, one can generate in general a non vanishing ebit of entanglement through an elapsed proper time evolution. To be more specific an application of a pure state time evolution of a wave packet in a circular geodesic motion in a Schwarchild metric and {PT} symmetric spin Hamiltonian is considered and the corresponding von Newman entanglement entropy is studied.

  19. High quality exchange rotations in spin qubits using symmetric gating

    NASA Astrophysics Data System (ADS)

    Martins, F.; Malinowski, F. K.; Nissen, P. D.; Marcus, C. M.; Kuemmeth, F.; Barnes, E.; Gardner, G. C.; Fallahi, S.; Manfra, M. J.

    We present results on a singlet-triplet qubit implemented in a GaAs/AlGaAs heterostructure and we show that exchange oscillations can be realized either by tilting the double well potential, the conventional method, or by symmetrically lowering the barrier, as originally suggested by Loss and DiVincenzo. The two methods are compared here. We find that lowering the barrier between dots has much less relative exchange noise compared to tilting the potential. Since exchange rotations are sensitive to electrical noise and relatively insensitive to nuclear noise, this yields significantly enhanced free induction decay times and quality factors. Our results are comparable to those reported recently in silicon quantum dot devices, obtained using similar techniques. Support through IARPA-MQCO, LPS-MPO-CMTC, Army Research Office, and the Danish National Research Foundation is acknowledged.

  20. High Fidelity Symmetric Telecloning and Entanglement Distribution of Spin Quantum States by Weak Measurement and Reversal

    NASA Astrophysics Data System (ADS)

    Wang, Qiong; He, Zhi; Yao, Chun-Mei; Li, Wen-Juan

    2016-08-01

    We propose a physical realization of robust symmetric telecloning scheme for spin quantum states by employing the weak measurement and reversal (WMR) operation. Using proper WMR, the ultrahigh telecloning fidelity and long distance of quantum state transfer with certain success probability can be achieved. More interestingly, the lowest average telecloning fidelity can attain 80 %, which is almost independent of the spin chain length. We also study the properties of entanglement distribution via the spin chain for arbitrary two-qubit entangled pure states as inputs and find that the WMR operation indeed helps for protecting distributed entanglement.

  1. Observation of two-orbital spin-exchange interactions with ultracold SU(N)-symmetric fermions

    NASA Astrophysics Data System (ADS)

    Scazza, F.; Hofrichter, C.; Höfer, M.; de Groot, P. C.; Bloch, I.; Fölling, S.

    2014-10-01

    Spin-exchanging interactions govern the properties of strongly correlated electron systems such as many magnetic materials. When orbital degrees of freedom are present, spin exchange between different orbitals often dominates, leading to the Kondo effect, heavy fermion behaviour or magnetic ordering. Ultracold ytterbium or alkaline-earth ensembles have attracted much recent interest as model systems for these effects, with two (meta-) stable electronic configurations representing independent orbitals. We report the observation of spin-exchanging contact interactions in a two-orbital SU(N)-symmetric quantum gas realized with fermionic 173Yb. We find strong inter-orbital spin exchange by spectroscopic characterization of all interaction channels and demonstrate SU(N = 6) symmetry within our measurement precision. The spin-exchange process is also directly observed through the dynamic equilibration of spin imbalances between ensembles in separate orbitals. The realization of an SU(N)-symmetric two-orbital Hubbard Hamiltonian opens the route to quantum simulations with extended symmetries and with orbital magnetic interactions, such as the Kondo lattice model.

  2. The Replica Method in Optimization Problems.

    NASA Astrophysics Data System (ADS)

    Liao, Wuwell W.

    In this thesis I discuss the application of the replica method in combinatorial optimization problems. In particular, I study certain graph-partitioning problems. One problem that I consider is the following. We are given a set of vertices V = (V_1,V_2,ldots V_{N}), with N even, and a set of edges E = {(V_{i},V _{j})i not= j}. Let each edge be connected with probability P. The bipartitioning problem is to divide V into two parts of equal size, in such a way as to minimize the number of edges N _{c} connecting these two parts. We are interested in the behavior of N_{c }/N, averaged over all possible configurations of edges in the limit N --> infty , as a function of the connectivity alpha = NP. When alpha is finite, the problem is shown to be similar, but not identical, to the mean field theory of a spin glass with finite connectivity. The replica-symmetric solution is derived. It is shown to be consistent with exact results for the infinite cluster obtained by P. Erdos.

  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.

    PubMed

    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

  5. Pair-Symmetric Background of the Spin Asymmetries of the Nucleon Experiment

    NASA Astrophysics Data System (ADS)

    Ndukum, Luwani

    2013-10-01

    The Spin Asymmetries of the Nucleon Experiment (SANE) at the Thomas Jefferson Lab National Accelerator Facility measured inclusive double spin asymmetries by scattering longitudinally polarized electrons on a longitudinally and transversely polarized NH3 target. The measurements were done at momentum transfer of 2.5 <= Q2 <= 6.5 GeV2 and Bjorken x of 0.3 <= x <= 0.8. Data were also taken at 0.2 < x < 0.3. Analysis of the pair-symmetric background used to extract asymmetries from this low x data will be discussed.

  6. 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.

  7. Symmetric rotating-wave approximation for the generalized single-mode spin-boson system

    SciTech Connect

    Albert, Victor V.; Scholes, Gregory D.; Brumer, Paul

    2011-10-15

    The single-mode spin-boson model exhibits behavior not included in the rotating-wave approximation (RWA) in the ultra and deep-strong coupling regimes, where counter-rotating contributions become important. We introduce a symmetric rotating-wave approximation that treats rotating and counter-rotating terms equally, preserves the invariances of the Hamiltonian with respect to its parameters, and reproduces several qualitative features of the spin-boson spectrum not present in the original rotating-wave approximation both off-resonance and at deep-strong coupling. The symmetric rotating-wave approximation allows for the treatment of certain ultra- and deep-strong coupling regimes with similar accuracy and mathematical simplicity as does the RWA in the weak-coupling regime. Additionally, we symmetrize the generalized form of the rotating-wave approximation to obtain the same qualitative correspondence with the addition of improved quantitative agreement with the exact numerical results. The method is readily extended to higher accuracy if needed. Finally, we introduce the two-photon parity operator for the two-photon Rabi Hamiltonian and obtain its generalized symmetric rotating-wave approximation. The existence of this operator reveals a parity symmetry similar to that in the Rabi Hamiltonian as well as another symmetry that is unique to the two-photon case, providing insight into the mathematical structure of the two-photon spectrum, significantly simplifying the numerics, and revealing some interesting dynamical properties.

  8. Spin blocking effect in symmetric double quantum well due to Rashba spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Souma, Satofumi; Ogawa, Matsuto; Sekine, Yoshiaki; Sawada, Atsushi; Koga, Takaaki

    2013-03-01

    We report a theoretical study of the spin-dependent electronic current flowing laterally through the In0.53Ga0.47As/In0.52Al0.48As double quantum well (DQW) structure, where the values of the Rashba spin-orbit parameter αR are opposite in sign but equal in magnitude between the constituent quantum wells. By tuning the channel length of DQW and the magnitude of the externally applied in-plane magnetic field, one can block the transmission of one spin (e.g., spin-up) component, enabling us to obtain a spin-polarized current. Our experimental progress toward realizing the proposed device is also reported. This work was supported by JSPS KAKENHI Grant Number 23360001 and 22104007

  9. 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.

  10. Quantum Measurement of Spin Correlations in a Symmetric Many-Body State ∖ f 1

    NASA Astrophysics Data System (ADS)

    Shojaee, Ezad; Kalev, Amir; Deutsch, Ivan; Cquic Team

    2016-05-01

    Continuous (nonprojective) measurement on a quantum system has been employed previously for fast, robust, and high-fidelity quantum state tomography (QST) on qudits. We expand this protocol to many-body systems in order to perform QST on the reduced one-body and two-body density matrices of a symmetric many-body state of multiple qubits. Such QST will characterize the spin correlations in the system. In this protocol, a continuous measurement is done collectively on many copies of the reduced state at the same time, and therefore, while it is weakly perturbative on each copy, yields high signal-to-noise. Simultaneously, we subject the system to an external collective control in order to generate an informationally complete measurement record. We characterize the information-gain measurement disturbance tradeoff in terms of parameters in the problem (number of qubits, control parameters, shot-noise bandwidth, and the measurement strength). Support from NSF is acknowledged.

  11. 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.

  12. Distributed replica dynamics

    NASA Astrophysics Data System (ADS)

    Zhang, Liang; Chill, Samuel T.; Henkelman, Graeme

    2015-11-01

    A distributed replica dynamics (DRD) method is proposed to calculate rare-event molecular dynamics using distributed computational resources. Similar to Voter's parallel replica dynamics (PRD) method, the dynamics of independent replicas of the system are calculated on different computational clients. In DRD, each replica runs molecular dynamics from an initial state for a fixed simulation time and then reports information about the trajectory back to the server. A simulation clock on the server accumulates the simulation time of each replica until one reports a transition to a new state. Subsequent calculations are initiated from within this new state and the process is repeated to follow the state-to-state evolution of the system. DRD is designed to work with asynchronous and distributed computing resources in which the clients may not be able to communicate with each other. Additionally, clients can be added or removed from the simulation at any point in the calculation. Even with heterogeneous computing clients, we prove that the DRD method reproduces the correct probability distribution of escape times. We also show this correspondence numerically; molecular dynamics simulations of Al(100) adatom diffusion using PRD and DRD give consistent exponential distributions of escape times. Finally, we discuss guidelines for choosing the optimal number of replicas and replica trajectory length for the DRD method.

  13. Distributed replica dynamics.

    PubMed

    Zhang, Liang; Chill, Samuel T; Henkelman, Graeme

    2015-11-01

    A distributed replica dynamics (DRD) method is proposed to calculate rare-event molecular dynamics using distributed computational resources. Similar to Voter's parallel replica dynamics (PRD) method, the dynamics of independent replicas of the system are calculated on different computational clients. In DRD, each replica runs molecular dynamics from an initial state for a fixed simulation time and then reports information about the trajectory back to the server. A simulation clock on the server accumulates the simulation time of each replica until one reports a transition to a new state. Subsequent calculations are initiated from within this new state and the process is repeated to follow the state-to-state evolution of the system. DRD is designed to work with asynchronous and distributed computing resources in which the clients may not be able to communicate with each other. Additionally, clients can be added or removed from the simulation at any point in the calculation. Even with heterogeneous computing clients, we prove that the DRD method reproduces the correct probability distribution of escape times. We also show this correspondence numerically; molecular dynamics simulations of Al(100) adatom diffusion using PRD and DRD give consistent exponential distributions of escape times. Finally, we discuss guidelines for choosing the optimal number of replicas and replica trajectory length for the DRD method. PMID:26547163

  14. Symmetrizing the symmetrization postulate

    NASA Astrophysics Data System (ADS)

    York, Michael

    2000-11-01

    Reasonable requirements of (a) physical invariance under particle permutation and (b) physical completeness of state descriptions [1], enable us to deduce a Symmetric Permutation Rule(SPR): that by taking care with our state descriptions, it is always possible to construct state vectors (or wave functions) that are purely symmetric under pure permutation for all particles, regardless of type distinguishability or spin. The conventional exchange antisymmetry for two identical half-integer spin particles is shown to be due to a subtle interdependence in the individual state descriptions arising from an inherent geometrical asymmetry. For three or more such particles, however, antisymmetrization of the state vector for all pairs simultaneously is shown to be impossible and the SPR makes observably different predictions, although the usual pairwise exclusion rules are maintained. The usual caveat of fermion antisymmetrization—that composite integer spin particles (with fermionic constituents) behave only approximately like bosons—is no longer necessary.

  15. Energy level structure and quantum phase transitions of spin systems with nonaxially symmetric Hamiltonians

    NASA Astrophysics Data System (ADS)

    López-Moreno, Enrique; Grether, M.; Velázquez, Víctor

    2011-11-01

    A general spin system with a nonaxially symmetric Hamiltonian containing Jx, Jz-linear and Jz-quadratic terms, widely used in many-body fermionic and bosonic systems and in molecular magnetism, is considered for the variations of general parameters describing intensity interaction changes of each of its terms. For this model Hamiltonian, a semiclassical energy surface (ES) is obtained by means of the coherent-state formalism. An analysis of this ES function, based on catastrophe theory, determines the separatrix in the control parameter space of the system Hamiltonian: the loci of singularities representing semiclassical phase transitions. Here we show that distinct regions of qualitatively different spectrum structures, as well as a singular behavior of quantum states, are ruled by this separatrix: here we show that the separatrix not only describes ground-state singularities, which have been associated with quantum phase transitions, but also reveals the structure of the excited spectrum, distinguishing different quantum phases within the parameter space. Finally, we consider magnetic susceptibility and heat capacity of the system at finite temperature, in order to study thermal properties and thermodynamical phase transitions in the perspective of the separatrix of this Hamiltonian system.

  16. Introduction to the Replica Theory of Disordered Statistical Systems

    NASA Astrophysics Data System (ADS)

    Dotsenko, Viktor

    2005-10-01

    Preface; 1. Introduction; Part I. Spin-Glass Systems: 2. Physics of the spin glass state; 2. The mean-field theory of spin glasses; 4. Physics of replica symmetry breaking; 5. Ultrametricity; 6. Experiments; Part II. Critical Phenomena and Quenched Disorder: 7. Scaling theory of the critical phenomena; 8. Critical behaviour in systems with disorder; 9. Spin glass effects in the critical phenomena; 10. Two dimensional Ising model with disorder; Part III. Other Types of Disordered Systems: 11. Ising systems with quenched random fields; 12. One dimensional directed polymers in random potentials; 13. Vector breaking of replica symmetry; 14. Conclusions; References.

  17. Local excitations in mean-field spin glasses

    NASA Astrophysics Data System (ADS)

    Krzakala, F.; Parisi, G.

    2004-06-01

    We address the question of geometrical as well as energetic properties of local excitations in mean-field Ising spin glasses. We study analytically the Random Energy Model and numerically a dilute mean-field model, first on tree-like graphs, equivalent to a replica-symmetric computation, and then directly on finite-connectivity random lattices. In the first model, characterized by a discontinuous replica symmetry breaking, we found that the energy of finite-volume excitation is infinite, whereas in the dilute mean-field model, described by a continuous replica symmetry breaking, it slowly decreases with sizes and saturates at a finite value, in contrast with what would be naively expected. The geometrical properties of these excitations are similar to those of lattice animals or branched polymers. We discuss the meaning of these results in terms of replica symmetry breaking and also possible relevance in finite-dimensional systems.

  18. Spin-orbital interaction for face-sharing octahedra: Realization of a highly symmetric SU(4) model

    NASA Astrophysics Data System (ADS)

    Kugel, K. I.; Khomskii, D. I.; Sboychakov, A. O.; Streltsov, S. V.

    2015-04-01

    Specific features of orbital and spin structure of transition-metal compounds in the case of the face-sharing MO6 octahedra are analyzed. In this geometry, we consider the form of the spin-orbital Hamiltonian for transition-metal ions with double (egσ) or triple (t2 g) orbital degeneracy. Trigonal distortions typical of the structures with face-sharing octahedra lead to splitting of t2 g orbitals into an a1 g singlet and egπ doublet. For both doublets (egσ and egπ), in the case of one electron or hole per site, we arrive at a symmetric model with the orbital and spin interaction of the Heisenberg type and the Hamiltonian of unexpectedly high symmetry: SU(4). Thus, many real materials with this geometry can serve as a testing ground for checking the prediction of this interesting theoretical model. We also compare general trends in the spin-orbital ("Kugel-Khomskii") exchange interaction for three typical situations: those of MO6 octahedra with common corner, common edge, and the present case of common face, which has not been considered yet.

  19. 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.

  20. A Symmetrical Quasi-Classical Spin-Mapping Model for the Electronic Degrees of Freedom in Non-Adiabatic Processes.

    PubMed

    Cotton, Stephen J; Miller, William H

    2015-12-17

    A recent series of papers has shown that a symmetrical quasi-classical (SQC) windowing procedure applied to the Meyer-Miller (MM) classical vibronic Hamiltonian provides a very good treatment of electronically nonadiabatic processes in a variety of benchmark model systems, including systems that exhibit strong quantum coherence effects and some which other approximate approaches have difficulty in describing correctly. In this paper, a different classical electronic Hamiltonian for the treatment of electronically nonadiabatic processes is proposed (and "quantized" via the SQC windowing approach), which maps the dynamics of F coupled electronic states to a set of F spin-(1)/2 degrees of freedom (DOF), similar to the Fermionic spin model described by Miller and White (J. Chem. Phys. 1986, 84, 5059). It is noted that this spin-mapping (SM) Hamiltonian is an exact Hamiltonian if treated as a quantum mechanical (QM) operator-and thus QM'ly equivalent to the MM Hamiltonian-but that an analytically distinct classical analogue is obtained by replacing the QM spin-operators with their classical counterparts. Due to their analytic differences, a practical comparison is then made between the MM and SM Hamiltonians (when quantized with the SQC technique) by applying the latter to many of the same benchmark test problems successfully treated in our recent work with the SQC/MM model. We find that for every benchmark problem the MM model provides (slightly) better agreement with the correct quantum nonadiabatic transition probabilities than does the new SM model. This is despite the fact that one might expect, a priori, a more natural description of electronic state populations (occupied versus unoccupied) to be provided by DOF with only two states, i.e., spin-(1)/2 DOF, rather than by harmonic oscillator DOF which have an infinite manifold of states (though only two of these are ever occupied). PMID:26299361

  1. Reduced sensitivity to charge noise in semiconductor spin qubits via symmetric operation

    NASA Astrophysics Data System (ADS)

    Reed, Matthew

    Gated semiconductor quantum dots controlled with the exchange interaction are attractive candidates for quantum information processing because of their long coherence time and electrical controllability. Exchange is conventionally modulated by detuning the chemical potentials of neighboring dots over a fixed tunnel barrier, an approach whose precision is limited by charge noise. In this talk we demonstrate a ''symmetric'' mode of operation which substantially reduces the sensitivity of exchange operations to gate fluctuations. The method involves biasing a double-dot symmetrically between the charge-state anti-crossings, where the derivative of the exchange energy with respect to gate voltages is minimized. Exchange remains highly tunable by adjusting the tunnel coupling. We propose a metric, insensitivity, to quantify the technique's improvement and find that it increases by at least a factor of five between operating regimes. We also demonstrate a substantial increase in the number of Rabi fringes observed.

  2. 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.

  3. Robust adaptive spin-axis stabilization of a symmetric spacecraft using two bounded torques

    NASA Astrophysics Data System (ADS)

    Gui, Haichao; Vukovich, George

    2015-12-01

    The spin-axis stabilization of an axisymmetric spacecraft by two control torques perpendicular to the symmetry axis is addressed. Two control laws are designed to align the symmetry axis along a desired inertial direction despite the revolution around the symmetry axis. The first controller takes a saturated proportional-derivative form and can stabilize the spin-axis to the desired direction with a priori bounded torques in the absence of modeling uncertainties. In order to achieve better robustness, an adaptive controller is then designed to account for the inertia uncertainties and disturbances, in addition to actuator saturation. Numerical examples are presented to demonstrate the advantageous features of the proposed algorithm compared with conventional spin-axis stabilization methods.

  4. Spin and pseudospin symmetric Dirac particles in the field of Tietz—Hua potential including Coulomb tensor interaction

    NASA Astrophysics Data System (ADS)

    Sameer, M. Ikhdair; Majid, Hamzavi

    2013-09-01

    Approximate analytical solutions of the Dirac equation for Tietz—Hua (TH) potential including Coulomb-like tensor (CLT) potential with arbitrary spin—orbit quantum number κ are obtained within the Pekeris approximation scheme to deal with the spin—orbit coupling terms κ(κ ± 1)r-2. Under the exact spin and pseudospin symmetric limitation, bound state energy eigenvalues and associated unnormalized two-component wave functions of the Dirac particle in the field of both attractive and repulsive TH potential with tensor potential are found using the parametric Nikiforov—Uvarov (NU) method. The cases of the Morse oscillator with tensor potential, the generalized Morse oscillator with tensor potential, and the non-relativistic limits have been investigated.

  5. 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.

  6. 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.

  7. Compressible Sherrington-Kirkpatrick spin-glass model

    NASA Astrophysics Data System (ADS)

    Liarte, Danilo B.; Salinas, Silvio R.; Yokoi, Carlos S. O.

    2009-05-01

    We introduce a Sherrington-Kirkpatrick spin-glass model with the addition of elastic degrees of freedom. The problem is formulated in terms of an effective four-spin Hamiltonian in the pressure ensemble, which can be treated by the replica method. In the replica-symmetric approximation, we analyze the pressure-temperature phase diagram, and obtain expressions for the critical boundaries between the disordered and the ordered (spin-glass and ferromagnetic) phases. The second-order para-ferromagnetic border ends at a tricritical point, beyond which the transition becomes discontinuous. We use these results to make contact with the temperature-concentration phase diagrams of mixtures of hydrogen-bonded crystals.

  8. Symmetric structure of field algebra of G-spin models determined by a normal subgroup

    SciTech Connect

    Xin, Qiaoling Jiang, Lining

    2014-09-15

    Let G be a finite group and H a normal subgroup. D(H; G) is the crossed product of C(H) and CG which is only a subalgebra of D(G), the double algebra of G. One can construct a C*-subalgebra F{sub H} of the field algebra F of G-spin models, so that F{sub H} is a D(H; G)-module algebra, whereas F is not. Then the observable algebra A{sub (H,G)} is obtained as the D(H; G)-invariant subalgebra of F{sub H}, and there exists a unique C*-representation of D(H; G) such that D(H; G) and A{sub (H,G)} are commutants with each other.

  9. 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

  10. Replica-based Crack Inspection

    NASA Technical Reports Server (NTRS)

    Newman, John A.; Smith, Stephen W.; Piascik, R. S.; Willard, Scott A.; Dawicke, David S.

    2007-01-01

    A surface replica-based crack inspection method has recently been developed for use in Space Shuttle main engine (SSME) hydrogen feedline flowliners. These flowliners exist to ensure favorable flow of liquid hydrogen over gimble joint bellows, and consist of two rings each containing 38 elongated slots. In the summer of 2002, multiple cracks ranging from 0.1 inches to 0.6 inches long were discovered; each orbiter contained at least one cracked flowliner. These long cracks were repaired and eddy current inspections ensured that no cracks longer than 0.075 inches were present. However, subsequent fracture-mechanics review of flight rationale required detection of smaller cracks, and was the driving force for development of higher-resolution inspection method. Acetate tape surface replicas have been used for decades to detect and monitor small cracks. However, acetate tape replicas have primarily been limited to laboratory specimens because complexities involved in making these replicas - requiring acetate tape to be dissolved with acetone - are not well suited for a crack inspection tool. More recently developed silicon-based replicas are better suited for use as a crack detection tool. A commercially available silicon-based replica product has been determined to be acceptable for use in SSME hydrogen feedlines. A method has been developed using this product and a scanning electron microscope for analysis, which can find cracks as small as 0.005 inches and other features (e.g., pits, scratches, tool marks, etc.) as small as 0.001 inches. The resolution of this method has been validated with dozens of cracks generated in a laboratory setting and this method has been used to locate 55 cracks (ranging in size from 0.040 inches to 0.004 inches) on space flight hardware. These cracks were removed by polishing away the cracked material and a second round of replicas confirmed the repair.

  11. Mean field bipartite spin models treated with mechanical techniques

    NASA Astrophysics Data System (ADS)

    Barra, Adriano; Galluzzi, Andrea; Guerra, Francesco; Pizzoferrato, Andrea; Tantari, Daniele

    2014-03-01

    Inspired by a continuously increasing interest in modeling and framing complex systems in a thermodynamic rationale, in this paper we continue our investigation in adapting well-known techniques (originally stemmed in fields of physics and mathematics far from the present) for solving for the free energy of mean field spin models in a statistical mechanics scenario. Focusing on the test cases of bipartite spin systems embedded with all the possible interactions (self and reciprocal), we show that both the fully interacting bipartite ferromagnet, as well as the spin glass counterpart, at least at the replica symmetric level, can be solved via the fundamental theorem of calculus, trough an analogy with the Hamilton-Jacobi theory and lastly with a mapping to a Fourier diffusion problem. All these technologies are shown symmetrically for ferromagnets and spin-glasses in full details and contribute as powerful tools in the investigation of complex systems.

  12. On a characteristic of the first eigenvalue of the Dirac operator on compact spin symmetric spaces with a Kähler or Quaternion-Kähler structure

    NASA Astrophysics Data System (ADS)

    Milhorat, Jean-Louis

    2015-04-01

    It is shown that on a compact spin symmetric space with a Kähler or Quaternion-Kähler structure, the first eigenvalue of the Dirac operator is linked to a "lowest" action of the holonomy, given by the fiberwise action on spinors of the canonical forms characterized by this holonomy. The result is also verified for the symmetric space F4 /Spin9, proving that it is valid for all the "possible" holonomies in Berger's list occurring in that context. The proof is based on a characterization of the first eigenvalue of the Dirac operator given in Milhorat (2005) and Milhorat (2006). By the way, we review an incorrect statement in the proof of the first lemma in Milhorat (2005).

  13. General Method to Determine Replica Symmetry Breaking Transitions

    NASA Astrophysics Data System (ADS)

    Marinari, E.; Naitza, C.; Zuliani, F.; Parisi, G.; Picco, M.; Ritort, F.

    1998-08-01

    We introduce a new parameter to investigate replica symmetry breaking transitions using finite-size scaling methods. Based on exact equalities initially derived by F. Guerra this parameter is a direct check of the self-averaging character of the spin-glass order parameter. This new parameter can be used to study models with time reversal symmetry but its greatest interest lies in models where this symmetry is absent. We apply the method to long-range and short-range Ising spin-glasses with and without a magnetic field as well as short-range multispin interaction spin-glasses.

  14. 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.

  15. 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.

  16. Experimental evidence of replica symmetry breaking in random lasers

    NASA Astrophysics Data System (ADS)

    Ghofraniha, N.; Viola, I.; di Maria, F.; Barbarella, G.; Gigli, G.; Leuzzi, L.; Conti, C.

    2015-01-01

    Spin-glass theory is one of the leading paradigms of complex physics and describes condensed matter, neural networks and biological systems, ultracold atoms, random photonics and many other research fields. According to this theory, identical systems under identical conditions may reach different states. This effect is known as replica symmetry breaking and is revealed by the shape of the probability distribution function of an order parameter named the Parisi overlap. However, a direct experimental evidence in any field of research is still missing. Here we investigate pulse-to-pulse fluctuations in random lasers, we introduce and measure the analogue of the Parisi overlap in independent experimental realizations of the same disordered sample, and we find that the distribution function yields evidence of a transition to a glassy light phase compatible with a replica symmetry breaking.

  17. 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.

  18. Variational Approach to Interfaces in Random Media: Negative Variances and Replica Symmetry Breaking

    NASA Astrophysics Data System (ADS)

    Saakian, D. B.; Nieuwenhuizen, Th. M.

    1997-12-01

    A Gaussian variational approximation is often used to study interfaces in random media. By considering the 1+1 dimensional directed polymer in a random medium, it is shown here that the variational Ansatz typically leads to a negative variance of the free energy. The situation improves by taking into account more and more steps of replica symmetry breaking. For infinite order breaking the variance is zero (i.e. subextensive). This situation is reminiscent of the negative entropies in mean field spin glass models, which were also eliminated by considering infinite order replica symmetry breaking.

  19. Secrets of the Chinese magic mirror replica

    NASA Astrophysics Data System (ADS)

    Mak, Se-yuen; Yip, Din-yan

    2001-03-01

    We examine the structure of five Chinese magic mirror replicas using a special imaging technique developed by the authors. All mirrors are found to have a two-layered structure. The reflecting surface that gives rise to a projected magic pattern on the screen is hidden under a polished half-reflecting top layer. An alternative method of making the magic mirror using ancient technology has been proposed. Finally, we suggest a simple method of reconstructing a mirror replica in the laboratory.

  20. 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.

  1. Optimizing replica exchange moves for molecular dynamics.

    PubMed

    Nadler, Walter; Hansmann, Ulrich H E

    2007-11-01

    We sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations as well as new applications of the method. PMID:18233794

  2. Instituto de Fisica, UFRGS, CP 15051, 91501-970, Porto Alegre RS, Brazil: Replica theory of granular media

    NASA Astrophysics Data System (ADS)

    Arenzon, Jeferson J.

    1999-03-01

    An infinite range spin-glass-like model for granular systems is introduced and studied through the replica mean-field formalism. Equilibrium, density-dependent properties under vibration and gravity are obtained that qualitatively resemble the results from real and numerical experiments.

  3. 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.

  4. 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.

  5. 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.

  6. Finite-connectivity spin-glass phase diagrams and low-density parity check codes

    NASA Astrophysics Data System (ADS)

    Migliorini, Gabriele; Saad, David

    2006-02-01

    We obtain phase diagrams of regular and irregular finite-connectivity spin glasses. Contact is first established between properties of the phase diagram and the performance of low-density parity check (LDPC) codes within the replica symmetric (RS) ansatz. We then study the location of the dynamical and critical transition points of these systems within the one step replica symmetry breaking theory (RSB), extending similar calculations that have been performed in the past for the Bethe spin-glass problem. We observe that the location of the dynamical transition line does change within the RSB theory, in comparison with the results obtained in the RS case. For LDPC decoding of messages transmitted over the binary erasure channel we find, at zero temperature and rate R=1/4 , an RS critical transition point at pc≃0.67 while the critical RSB transition point is located at pc≃0.7450±0.0050 , to be compared with the corresponding Shannon bound 1-R . For the binary symmetric channel we show that the low temperature reentrant behavior of the dynamical transition line, observed within the RS ansatz, changes its location when the RSB ansatz is employed; the dynamical transition point occurs at higher values of the channel noise. Possible practical implications to improve the performance of the state-of-the-art error correcting codes are discussed.

  7. 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.

  8. The 3-SAT problem with large number of clauses in the ∞-replica symmetry breaking scheme

    NASA Astrophysics Data System (ADS)

    Crisanti, A.; Leuzzi, L.; Parisi, G.

    2002-01-01

    In this paper we analyse the structure of the UNSAT-phase of the over-constrained 3-SAT model by studying the low temperature phase of the associated disordered spin model. We derived the full replica symmetry breaking (RSB) equations for a general class of disordered spin models which includes the Sherrington-Kirkpatrick (SK) model, the Ising p-spin model as well as the over-constrained 3-SAT model as particular cases. We have numerically solved the ∞-RSB equations using a pseudo-spectral code down to and including zero temperature. We find that the UNSAT-phase of the over-constrained 3-SAT is of the ∞-RSB kind: in order to get a stable solution the replica symmetry has to be broken in a continuous way, similarly to the SK model in an external magnetic field.

  9. Reliability of the impression replica technique.

    PubMed

    Falk, Anders; Vult von Steyern, Per; Fransson, Håkan; Thorén, Margareta Molin

    2015-01-01

    The aim of this study was to evaluate the reliability of the impression replica technique with a four-unit zirconia fixed dental prosthesis (FDP). Marginal and internal fit were measured by repeatedly placing the FDP on an epoxy cast using light-body silicone material corresponding to cement. All measured marginal and internal fit points showed varying values. The greatest variations were seen at the most distal margin (33 μm) and at the distal abutment of the FDP (77 μm). The results showed that the technique gives moderate variations and is a useful method to evaluate marginal and internal fit. PMID:25822305

  10. A canonical replica exchange molecular dynamics implementation with normal pressure in each replica.

    PubMed

    Peter, Emanuel K; Pivkin, Igor V; Shea, Joan-Emma

    2016-07-28

    In this paper, we present a new canonical replica exchange molecular dynamics (REMD) simulation method with normal pressure for all replicas (REMD-NV(p) T). This method is suitable for systems for which conventional constant NPT-setups are difficult to implement. In this implementation, each replica has an individual volume, with normal pressure maintained for each replica in the simulation. We derive a novel exchange term and validate this method on the structural properties of SPC/E water and dialanine (Ala2) in the bulk and in the presence of a graphene layer. Compared to conventional constant NPT-REMD and NVT-REMD simulations, we find that the structural properties of our new method are in good agreement with simulations in the NPT-ensemble at all temperatures. The structural properties of the systems considered are affected by high pressures at elevated temperatures in the constant NVT-ensemble, an effect that our method corrects for. Unprojected distributions reveal that essential motions of the peptide are affected by the presence of the barostat in the NPT implementation but that the dynamical eigenmodes of the NV(p)T method are in close quantitative agreement with the NVT-ensemble. PMID:27475393

  11. A canonical replica exchange molecular dynamics implementation with normal pressure in each replica

    NASA Astrophysics Data System (ADS)

    Peter, Emanuel K.; Pivkin, Igor V.; Shea, Joan-Emma

    2016-07-01

    In this paper, we present a new canonical replica exchange molecular dynamics (REMD) simulation method with normal pressure for all replicas (REMD-NV(p) T). This method is suitable for systems for which conventional constant NPT-setups are difficult to implement. In this implementation, each replica has an individual volume, with normal pressure maintained for each replica in the simulation. We derive a novel exchange term and validate this method on the structural properties of SPC/E water and dialanine (Ala2) in the bulk and in the presence of a graphene layer. Compared to conventional constant NPT-REMD and NVT-REMD simulations, we find that the structural properties of our new method are in good agreement with simulations in the NPT-ensemble at all temperatures. The structural properties of the systems considered are affected by high pressures at elevated temperatures in the constant NVT-ensemble, an effect that our method corrects for. Unprojected distributions reveal that essential motions of the peptide are affected by the presence of the barostat in the NPT implementation but that the dynamical eigenmodes of the NV(p)T method are in close quantitative agreement with the NVT-ensemble.

  12. 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.

  13. 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.

  14. 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.

  15. Spin-glass phase transitions and minimum energy of the random feedback vertex set problem.

    PubMed

    Qin, Shao-Meng; Zeng, Ying; Zhou, Hai-Jun

    2016-08-01

    A feedback vertex set (FVS) of an undirected graph contains vertices from every cycle of this graph. Constructing a FVS of sufficiently small cardinality is very difficult in the worst cases, but for random graphs this problem can be efficiently solved by converting it into an appropriate spin-glass model [H.-J. Zhou, Eur. Phys. J. B 86, 455 (2013)EPJBFY1434-602810.1140/epjb/e2013-40690-1]. In the present work we study the spin-glass phase transitions and the minimum energy density of the random FVS problem by the first-step replica-symmetry-breaking (1RSB) mean-field theory. For both regular random graphs and Erdös-Rényi graphs, we determine the inverse temperature β_{l} at which the replica-symmetric mean-field theory loses its local stability, the inverse temperature β_{d} of the dynamical (clustering) phase transition, and the inverse temperature β_{s} of the static (condensation) phase transition. These critical inverse temperatures all change with the mean vertex degree in a nonmonotonic way, and β_{d} is distinct from β_{s} for regular random graphs of vertex degrees K>60, while β_{d} are identical to β_{s} for Erdös-Rényi graphs at least up to mean vertex degree c=512. We then derive the zero-temperature limit of the 1RSB theory and use it to compute the minimum FVS cardinality. PMID:27627285

  16. 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.

  17. 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.

  18. 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...

  19. Replica-symmetry-breaking transitions and off-equilibrium dynamics

    NASA Astrophysics Data System (ADS)

    Rizzo, Tommaso

    2013-09-01

    I consider branches of replica-symmetry-breaking (RSB) solutions in glassy systems that display a dynamical transition at a temperature Td characterized by a mode-coupling-theory dynamical behavior. Below Td these branches of solutions are considered to be relevant to the system complexity and to off-equilibrium dynamics. Under general assumptions I argue that near Td it is not possible to stabilize the one-step (1RSB) solution beyond the marginal point by making a full RSB (FRSB) ansatz. However, depending on the model, there may exist a temperature T* strictly lower than Td below which the 1RSB branch can be continued to a FRSB branch. Such a temperature certainly exists for models that display the so-called Gardner transition and in this case TGspin model with p=3 by means of a numerical solution of the FRSB equations. The results are discussed in connection with off-equilibrium dynamics within Cugliandolo-Kurchan theory. In this context I assume that the RSB solution relevant for off-equilibrium dynamics is the 1RSB marginal solution in the whole range (T*,Td) and it is the end point of the FRSB branch for T

  20. 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.

  1. Bayesian ensemble refinement by replica simulations and reweighting.

    PubMed

    Hummer, Gerhard; Köfinger, Jürgen

    2015-12-28

    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. PMID:26723635

  2. 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.

  3. Accelerating ring-polymer molecular dynamics with parallel-replica dynamics

    NASA Astrophysics Data System (ADS)

    Lu, Chun-Yaung; Perez, Danny; Voter, Arthur F.

    2016-06-01

    Nuclear quantum effects are important for systems containing light elements, and the effects are more prominent in the low temperature regime where the dynamics also becomes sluggish. We show that parallel replica (ParRep) dynamics, an accelerated molecular dynamics approach for infrequent-event systems, can be effectively combined with ring-polymer molecular dynamics, a semiclassical trajectory approach that gives a good approximation to zero-point and tunneling effects in activated escape processes. The resulting RP-ParRep method is a powerful tool for reaching long time scales in complex infrequent-event systems where quantum dynamics are important. Two illustrative examples, symmetric Eckart barrier crossing and interstitial helium diffusion in Fe and Fe-Cr alloy, are presented to demonstrate the accuracy and long-time scale capability of this approach.

  4. Accelerating ring-polymer molecular dynamics with parallel-replica dynamics.

    PubMed

    Lu, Chun-Yaung; Perez, Danny; Voter, Arthur F

    2016-06-28

    Nuclear quantum effects are important for systems containing light elements, and the effects are more prominent in the low temperature regime where the dynamics also becomes sluggish. We show that parallel replica (ParRep) dynamics, an accelerated molecular dynamics approach for infrequent-event systems, can be effectively combined with ring-polymer molecular dynamics, a semiclassical trajectory approach that gives a good approximation to zero-point and tunneling effects in activated escape processes. The resulting RP-ParRep method is a powerful tool for reaching long time scales in complex infrequent-event systems where quantum dynamics are important. Two illustrative examples, symmetric Eckart barrier crossing and interstitial helium diffusion in Fe and Fe-Cr alloy, are presented to demonstrate the accuracy and long-time scale capability of this approach. PMID:27369499

  5. Neurovascular Modeling: Small-Batch Manufacturing of Silicone Vascular Replicas

    PubMed Central

    Chueh, J.Y.; Wakhloo, A.K.; Gounis, M.J.

    2009-01-01

    BACKGROUND AND PURPOSE Realistic, population based cerebrovascular replicas are required for the development of neuroendovascular devices. The objective of this work was to develop an efficient methodology for manufacturing realistic cerebrovascular replicas. MATERIALS AND METHODS Brain MR angiography data from 20 patients were acquired. The centerline of the vasculature was calculated, and geometric parameters were measured to describe quantitatively the internal carotid artery (ICA) siphon. A representative model was created on the basis of the quantitative measurements. Using this virtual model, we designed a mold with core-shell structure and converted it into a physical object by fused-deposit manufacturing. Vascular replicas were created by injection molding of different silicones. Mechanical properties, including the stiffness and luminal coefficient of friction, were measured. RESULTS The average diameter, length, and curvature of the ICA siphon were 4.15 ± 0.09 mm, 22.60 ± 0.79 mm, and 0.34 ± 0.02 mm-1 (average ± standard error of the mean), respectively. From these image datasets, we created a median virtual model, which was transformed into a physical replica by an efficient batch-manufacturing process. The coefficient of friction of the luminal surface of the replica was reduced by up to 55% by using liquid silicone rubber coatings. The modulus ranged from 0.67 to 1.15 MPa compared with 0.42 MPa from human postmortem studies, depending on the material used to make the replica. CONCLUSIONS Population-representative, smooth, and true-to-scale silicone arterial replicas with uniform wall thickness were successfully built for in vitro neurointerventional device-testing by using a batch-manufacturing process. PMID:19321626

  6. Fiber deposition pattern in two human respiratory tract replicas.

    PubMed

    Su, Wei-Chung; Cheng, Yung Sung

    2006-09-01

    This study consisted of a series of experiments to investigate the factors that might affect the fiber deposition pattern in the human respiratory tract. Carbon fibers with uniform diameter and polydispersed length were chosen as the test material. Two geometry-defined human respiratory tract replicas encompassing the oral cavity, oropharynx, larynx, trachea, and first few bifurcations of the tracheobronchial airways were used in this research. Deposition studies were conducted by delivering aerosolized carbon fibers into the replicas at constant inspiratory flow rates of 15, 43.5, and 60 L/min. The results showed that impaction is the dominant deposition mechanism for both replicas. Most of the fibers with high momentum deposited in the oral airway (oral cavity to larynx), and fibers with low momentum were found to pass through the entire replica easily. When comparing the results between the two replicas, fiber length, inspiratory flow rate, and the geometry of the oral airway were found to be factors that might affect the fiber deposition pattern in the human respiratory tract. PMID:16774864

  7. Error and efficiency of replica exchange molecular dynamics simulations

    PubMed Central

    Rosta, Edina; Hummer, Gerhard

    2009-01-01

    We derive simple analytical expressions for the error and computational efficiency of replica exchange molecular dynamics (REMD) simulations (and by analogy replica exchange Monte Carlo simulations). The theory applies to the important case of systems whose dynamics at long times is dominated by the slow interconversion between two metastable states. As a specific example, we consider the folding and unfolding of a protein. The efficiency is defined as the rate with which the error in an estimated equilibrium property, as measured by the variance of the estimator over repeated simulations, decreases with simulation time. For two-state systems, this rate is in general independent of the particular property. Our main result is that, with comparable computational resources used, the relative efficiency of REMD and molecular dynamics (MD) simulations is given by the ratio of the number of transitions between the two states averaged over all replicas at the different temperatures, and the number of transitions at the single temperature of the MD run. This formula applies if replica exchange is frequent, as compared to the transition times. High efficiency of REMD is thus achieved by including replica temperatures in which the frequency of transitions is higher than that at the temperature of interest. In tests of the expressions for the error in the estimator, computational efficiency, and the rate of equilibration we find quantitative agreement with the results both from kinetic models of REMD and from actual all-atom simulations of the folding of a peptide in water. PMID:19894977

  8. Error and efficiency of replica exchange molecular dynamics simulations.

    PubMed

    Rosta, Edina; Hummer, Gerhard

    2009-10-28

    We derive simple analytical expressions for the error and computational efficiency of replica exchange molecular dynamics (REMD) simulations (and by analogy replica exchange Monte Carlo simulations). The theory applies to the important case of systems whose dynamics at long times is dominated by the slow interconversion between two metastable states. As a specific example, we consider the folding and unfolding of a protein. The efficiency is defined as the rate with which the error in an estimated equilibrium property, as measured by the variance of the estimator over repeated simulations, decreases with simulation time. For two-state systems, this rate is in general independent of the particular property. Our main result is that, with comparable computational resources used, the relative efficiency of REMD and molecular dynamics (MD) simulations is given by the ratio of the number of transitions between the two states averaged over all replicas at the different temperatures, and the number of transitions at the single temperature of the MD run. This formula applies if replica exchange is frequent, as compared to the transition times. High efficiency of REMD is thus achieved by including replica temperatures in which the frequency of transitions is higher than that at the temperature of interest. In tests of the expressions for the error in the estimator, computational efficiency, and the rate of equilibration we find quantitative agreement with the results both from kinetic models of REMD and from actual all-atom simulations of the folding of a peptide in water. PMID:19894977

  9. Symmetric Novikov superalgebras

    SciTech Connect

    Ayadi, Imen; Benayadi, Saied

    2010-02-15

    We study Novikov superalgebras with nondegenerate associative supersymmetric bilinear forms which are called symmetric Novikov superalgebras. We show that Novikov symmetric superalgebras are associative superalgebras with additional condition. Several examples of symmetric Novikov superalgebras are included, in particular, examples of symmetric Novikov superalgebras which are not 2-nilpotent. Finally, we introduce some notions of double extensions in order to give inductive descriptions of symmetric Novikov superalgebras.

  10. Image replica detection based on support vector classifier

    NASA Astrophysics Data System (ADS)

    Maret, Y.; Dufaux, F.; Ebrahimi, T.

    2005-08-01

    In this paper, we propose a technique for image replica detection. By replica, we mean equivalent versions of a given reference image, e.g. after it has undergone operations such as compression, filtering or resizing. Applications of this technique include discovery of copyright infringement or detection of illicit content. The technique is based on the extraction of multiple features from an image, namely texture, color, and spatial distribution of colors. Similar features are then grouped into groups and the similarity between two images is given by several partial distances. The decision function to decide whether a test image is a replica of a given reference image is finally derived using Support Vector Classifier (SVC). In this paper, we show that this technique achieves good results on a large database of images. For instance, for a false negative rate of 5 % the system yields a false positive rate of only 6 " 10-5.

  11. A Biologically Inspired Self-Adaptation of Replica Density Control

    NASA Astrophysics Data System (ADS)

    Izumi, Tomoko; Izumi, Taisuke; Ooshita, Fukuhito; Kakugawa, Hirotsugu; Masuzawa, Toshimitsu

    Biologically-inspired approaches are one of the most promising approaches to realize highly-adaptive distributed systems. Biological systems inherently have self-* properties, such as self-stabilization, self-adaptation, self-configuration, self-optimization and self-healing. Thus, the application of biological systems into distributed systems has attracted a lot of attention recently. In this paper, we present one successful result of bio-inspired approach: we propose distributed algorithms for resource replication inspired by the single species population model. Resource replication is a crucial technique for improving system performance of distributed applications with shared resources. In systems using resource replication, generally, a larger number of replicas lead to shorter time to reach a replica of a requested resource but consume more storage of the hosts. Therefore, it is indispensable to adjust the number of replicas appropriately for the resource sharing application. This paper considers the problem for controlling the densities of replicas adaptively in dynamic networks and proposes two bio-inspired distributed algorithms for the problem. In the first algorithm, we try to control the replica density for a single resource. However, in a system where multiple resources coexist, the algorithm needs high network cost and the exact knowledge at each node about all resources in the network. In the second algorithm, the densities of all resources are controlled by the single algorithm without high network cost and the exact knowledge about all resources. This paper shows by simulations that these two algorithms realize self-adaptation of the replica density in dynamic networks.

  12. Mutually connected component of networks of networks with replica nodes

    NASA Astrophysics Data System (ADS)

    Bianconi, Ginestra; Dorogovtsev, Sergey N.; Mendes, José F. F.

    2015-01-01

    We describe the emergence of the giant mutually connected component in networks of networks in which each node has a single replica node in any layer and can be interdependent only on its replica nodes in the interdependent layers. We prove that if, in these networks, all the nodes of one network (layer) are interdependent on the nodes of the same other interconnected layer, then, remarkably, the mutually connected component does not depend on the topology of the network of networks. This component coincides with the mutual component of the fully connected network of networks constructed from the same set of layers, i.e., a multiplex network.

  13. Patrol detection for replica attacks on wireless sensor networks.

    PubMed

    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

  14. 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.

  15. Folding proteins by first-passage-times-optimized replica exchange.

    PubMed

    Nadler, Walter; Meinke, Jan H; Hansmann, Ulrich H E

    2008-12-01

    Replica exchange simulations have become the method of choice in computational protein science, but they still often do not allow an efficient sampling of low-energy protein configurations. Here, we reconstruct replica flow in the temperature ladder from first passage times and use it for temperature optimization, thereby maximizing sampling. The method is applied in simulations of folding thermodynamics for a number of proteins starting from the pentapeptide Met-enkephalin, through the 36-residue HP-36, up to the 67-residue protein GS-alpha3W. PMID:19256866

  16. Optimized explicit-solvent replica exchange molecular dynamics from scratch.

    PubMed

    Nadler, Walter; Hansmann, Ulrich H E

    2008-08-28

    Replica exchange molecular dynamics (REMD) simulations have become an important tool to study proteins and other biological molecules in silico. However, such investigations require considerable, and often prohibitive, numerical effort when the molecules are simulated in explicit solvents. In this communication we show that in this case the cost can be minimized by choosing the number of replicas as N(opt) approximately 1+0.594 radical C ln(Tmax/Tmin), where C is the specific heat, and the temperatures distributed according to Ti(opt) approximately T min(Tmax/Tmin)(i-1)/(N-1). PMID:18671362

  17. 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. PMID:27079355

  18. 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

  19. Hierarchical indexing using R-trees for replica detection

    NASA Astrophysics Data System (ADS)

    Maret, Yannick; Marimón, David; Dufaux, Frédéric; Ebrahimi, Touradj

    2006-08-01

    Replica detection is a prerequisite for the discovery of copyright infringement and detection of illicit content. For this purpose, content-based systems can be an efficient alternative to watermarking. Rather than imperceptibly embedding a signal, content-based systems rely on content similarity concepts. Certain content-based systems use adaptive classifiers to detect replicas. In such systems, a suspected content is tested against every original, which can become computationally prohibitive as the number of original contents grows. In this paper, we propose an image detection approach which hierarchically estimates the partition of the image space where the replicas (of an original) lie by means of R-trees. Experimental results show that the proposed system achieves high performance. For instance, a fraction of 0.99975 of the test images are filtered by the system when the test images are unrelated to any of the originals while only a fraction of 0.02 of the test images are rejected when the test image is a replica of one of the originals.

  20. Replica Registration Service - Functional Interface Specification1.0

    SciTech Connect

    Shoshani, Arie; Sim, Alex; Stockinger, Kurt

    2005-02-28

    The goal of the Replica Registration Service (RRS) is toprovide a uniform interface to various file catalogs, replica catalogs,and metadata catalogs. It can be thought of as an abstraction of theconcepts used in such systems to register files and their replicas. Someexperiments may prefer to support their own file catalogs (which may havetheir own specialized structures, semantics, and implementations) ratherthan use a standard replica catalog. Providing an RRS that can interactwith such a catalog (for example by invoking a script) can permit thatcatalog to be invoked as a service in the same way that other replicacatalogs do. If at a later time the experiment wishes to change toanother file catalog or an RLS, it is only a matter of developing an RRSfor that new catalog and replacing the existing catalog. In addition,some systems use metadata catalogs or other catalogs to manage the filename spaces. Our goal is to provide a single interface that supports theregistration of files into such name spaces as well as retrieving thisinformation.

  1. 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…

  2. Fabrication of vascular replicas from magnetic resonance images.

    PubMed

    Friedman, M H; Kuban, B D; Schmalbrock, P; Smith, K; Altan, T

    1995-08-01

    Image processing and Computer Numerical Controlled (CNC) machining techniques have been used to prepare a large-than-life investment cast of an aortic bifurcation from magnetic resonance images of a replica of the vessel. The technique will facilitate experimental studies of vascular fluid dynamics and permit the in vitro reproduction of flows in living subjects. PMID:8618391

  3. Rotational partition functions for symmetric-top molecules

    NASA Astrophysics Data System (ADS)

    McDowell, Robin S.

    1990-08-01

    An improved expression is found for the rotational partition functions of symmetric-top molecules. The expression includes the effect of nuclear spin for molecules of C(3v) symmetry. The effect that centrifugal distortion of the rotating molecules has on these rigid-rotator formulations is considered. The nuclear-spin correction is generalized to symmetric-top molecules of other symmetries. The treatment is extended to nonplanar molecules that exhibit inversion doubling, with particular attention given to NH3.

  4. 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...

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  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, 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:...

  12. 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:...

  13. 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:...

  14. 75 FR 282 - Restricting the Mailing of Replica or Inert Explosive Devices

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-01-05

    ... 111 Restricting the Mailing of Replica or Inert Explosive Devices AGENCY: Postal Service TM . ACTION... the mailing of replica or inert explosive devices, such as grenades, be sent by Registered Mail TM... Service published a Federal Register proposed rule (73 FR 12321) on March 7, 2008 to prohibit replica...

  15. 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

  16. 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. PMID:27059441

  17. 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.

  18. 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.

  19. Novel resist for replica preparation of mold for imprint lithography

    NASA Astrophysics Data System (ADS)

    Matsukawa, Daisaku; Wakayama, Hiroyuki; Mitsukura, Kazuyuki; Okamura, Haruyuki; Hirai, Yoshihiko; Shirai, Masamitsu

    2009-03-01

    Two types of dimethacrylate which have hemiacetal ester moiety in a molecule were synthesized from difunctional vinyl ethers and methacrylic acid. UV curing of the monomers and photo-induced degradation of the UV cured resins were investigated. On UV irradiation at 365 nm under N2 atmosphere, these dimethacrylates containing 2,2-dimethoxy-2-phenylacetophenone and triphenylsulfonium triflate became insoluble in methanol. The UV cured resins degraded if acids were generated in the system. Present resins were applied to make a plastic replica of mold for imprint lithography and the plastic replica was prepared in good form. The effect of imprint conditions on volume shrinkage of methacrylates was investigated. Dimethacrylate that has adamantyl unit showed a low-shrinkage property.

  20. Image tube. [deriving electron beam replica of image

    NASA Technical Reports Server (NTRS)

    Hallam, K. L.; Johnson, C. B. (Inventor)

    1974-01-01

    An optical image is projected onto a planar surface of a photocathode that derives an electron beam replica of the image. A target electrode displaced relative to the photocathode so that it does not obstruct the optical image includes a planar surface for receiving and deriving an accurate replica of the electron beam image. The two planar surfaces are parallel. The electron beam image is focused on the target electrode by providing throughout a region that extends between the planar surfaces of the photocathode and receiving electrode, constant homogeneous dc electric and magnetic fields. The electric field extends in a direction perpendicular to the planar surfaces while the magnetic field extends along a straight line that intersects the photocathode and target electrode at an acute angle.

  1. Local Unitary Invariant Spin-Squeezing in Multiqubit States

    NASA Astrophysics Data System (ADS)

    Divyamani, B. G.; Sudha; Usha Devi, A. R.

    2016-05-01

    We investiage Local Unitary Invariant Spin Squeezing (LUISS) in symmetric and non-symmetric multiqubit states. On developing an operational procedure to evaluate Local Unitary Invariant Spin Squeezing parameters, we explicitly evaluate these parameters for pure as well as mixed non-symmetric multiqubit states. We show that the existence of local unitary invariant version of Kitegawa-Ueda spin squeezing may not witness pairwise entanglement whereas the local unitary invariant analogue of Wineland spin squeezing necessarily implies pairwise entanglement.

  2. Development of CFRP Mirrors for Space Telescopes Using Replica Technique

    NASA Astrophysics Data System (ADS)

    Utsunomiya, Shin; Kamiya, Tomohiro; Shimizu, Ryuzo

    2012-07-01

    Ultra-lightweight and high-accuracy CFRP (Carbon Fiber Reinforced Plastics) mirrors for space telescopes have developed and their feasibility for ultrared applications was demonstrated. The CTE (Coefficient of Thermal Expansion) of the all-CFRP sandwich panels was tailored in ±1x10-7/K. The surface accuracy of mirrors of 150 mm in diameter was 0.8 μm RMS (Root Mean Square) as fabricated and the surface smoothness was improved to 5 nm RMS. The surface of front face skins of sandwich panels was coated with epoxy resin and surface accuracy and smoothness were transcribed from an optically-polished glass tool of λ/20 accuracy by replica technique. Surface preciseness was measured before and after replica coating using a 3D optical profiler of white light interferometer. Observed patterns of the asperity of mirror surfaces were classified into four categories, overall warping and line patterns of fiber tows and core patterns and print-through of individual fibers. Replica improved all kinds of asperity.

  3. Theory of spin-phonon coupling in multiferroic manganese perovskites RMnO3

    NASA Astrophysics Data System (ADS)

    Mochizuki, Masahito; Furukawa, Nobuo; Nagaosa, Naoto

    2011-10-01

    Magnetoelectric phase diagrams of the rare-earth (R) Mn perovskites RMnO3 are theoretically studied by focusing on crucial roles of the symmetric magnetostriction or the Peierls-type spin-phonon coupling through extending our previous work [M. Mochizuki , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.105.037205 105, 037205 (2010)]. We first construct a microscopic classical Heisenberg model for RMnO3 including the frustrated spin exchanges, single-ion anisotropy, and Dzyaloshinskii-Moriya interaction. We also incorporate the lattice degree of freedom coupled to the Mn spins via the Peierls-type magnetostriction. By analyzing this model using the replica-exchange Monte Carlo technique, we reproduce the entire phase diagram of RMnO3 in the plane of temperature and magnitude of the orthorhombic lattice distortion. Surprisingly it is found that in the ab-plane spiral spin phase, the (S·S)-type magnetostriction plays an important role for the ferroelectric order with polarization P∥a whose contribution is comparable to or larger than the contribution from the (S×S)-type magnetostriction, whereas in the bc-plane spiral phase, the ferroelectric order with P∥c is purely of (S×S) origin. This explains much larger P in the ab-plane spiral phase than the bc-plane spiral phase as observed experimentally and gives a clue how to enhance the magnetoelectric coupling in the spin-spiral-based multiferroics. We also predict a noncollinear deformation of the E-type spin structure resulting in the finite (S×S) contribution to the ferroelectric order with P∥a, and a wide coexisting regime of the commensurate E and incommensurate spiral states, which resolve several experimental puzzles.

  4. 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.

  5. Cylindrically symmetric electrohydrodynamic patterning.

    PubMed

    Deshpande, Paru; Pease, Leonard F; Chen, Lei; Chou, Stephen Y; Russel, William B

    2004-10-01

    Cylindrically symmetric structures such as concentric rings and rosettes arise out of thin polymeric films subjected to strong electric fields. Experiments that formed concentric rings and theory capable of explaining these and other cylindrical structures are presented. These rings represent an additional member of a class of structures, including pillars and holes, formed by electrohydrodynamic patterning of thin films, occasionally referred to as lithographically induced self-assembly. Fabrication of a set of concentric rings begins by spin coating a thin poly(methyl methacrylate) film onto a silicon wafer. A mask is superimposed parallel to the film leaving a similarly thin air gap. Electric fields, acting in opposition to surface tension, destabilize the free interface when raised above the glass transition temperature. Central pillars nucleate under small cylindrical protrusions patterned on the mask. Rings then emerge sequentially, with larger systems having as many as 10 fully formed rings. Ring-to-ring spacings and annular widths, typically on the order of a micron, are approximately constant within a concentric cluster. The formation rate is proportional to the viscosity and, consequently, has the expected Williams-Landel-Ferry dependence on temperature. In light of these developments we have undertaken a linear stability analysis in cylindrical coordinates to describe these rings and ringlike structures. The salient feature of this analysis is the use of perturbations that incorporate their radial dependence in terms of Bessel functions as opposed to the traditional sinusoids of Cartesian coordinates. The theory predicts approximately constant ring-to-ring spacings, constant annular widths, and growth rates that agree with experiment. A secondary instability is observed at higher temperatures, which causes the rings to segment into arcs or pillar arrays. The cylindrical theory may be generalized to describe hexagonal pillar/hole packing, gratings, and

  6. Replica exchange molecular dynamics simulations of amyloid peptide aggregation

    NASA Astrophysics Data System (ADS)

    Cecchini, M.; Rao, F.; Seeber, M.; Caflisch, A.

    2004-12-01

    The replica exchange molecular dynamics (REMD) approach is applied to four oligomeric peptide systems. At physiologically relevant temperature values REMD samples conformation space and aggregation transitions more efficiently than constant temperature molecular dynamics (CTMD). During the aggregation process the energetic and structural properties are essentially the same in REMD and CTMD. A condensation stage toward disordered aggregates precedes the β-sheet formation. Two order parameters, borrowed from anisotropic fluid analysis, are used to monitor the aggregation process. The order parameters do not depend on the peptide sequence and length and therefore allow to compare the amyloidogenic propensity of different peptides.

  7. The decoupling of the glass transitions in the two-component p-spin spherical model

    NASA Astrophysics Data System (ADS)

    Ikeda, Harukuni; Ikeda, Atsushi

    2016-07-01

    Binary mixtures of large and small particles with a disparate size ratio exhibit a rich phenomenology at their glass transition points. In order to gain insights on such systems, we introduce and study a two-component version of the p-spin spherical spin glass model. We employ the replica method to calculate the free energy and the phase diagram. We show that when the strengths of the interactions of each component are not widely separated, the model has only one glass phase characterized by the conventional one-step replica symmetry breaking. However when the strengths of the interactions are well separated, the model has three glass phases depending on the temperature and component ratio. One is the ‘single’ glass phase in which only the spins of one component are frozen while the spins of the other component remain mobile. This phase is characterized by the one-step replica symmetry breaking. The second is the ‘double’ glass phase obtained by cooling the single glass phase further, in which the spins of the remaining mobile component are also frozen. This phase is characterized by the two-step replica symmetry breaking. The third is also the ‘double’ glass phase, which, however, is formed by the simultaneous freezing of the spins of both components at the same temperatures and is characterized by the one-step replica symmetry breaking. We discuss the implications of these results for the glass transitions of binary mixtures.

  8. 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.

  9. 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. PMID:20046980

  10. Thermostat artifacts in replica exchange molecular dynamics simulations

    PubMed Central

    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. PMID:20046980

  11. Replica inference approach to unsupervised multiscale image segmentation

    NASA Astrophysics Data System (ADS)

    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.

  12. Enhanced perceptual distance functions and indexing for image replica recognition.

    PubMed

    Qamra, Arun; Meng, Yan; Chang, Edward Y

    2005-03-01

    The proliferation of digital images and the widespread distribution of digital data that has been made possible by the Internet has increased problems associated with copyright infringement on digital images. Watermarking schemes have been proposed to safeguard copyrighted images, but watermarks are vulnerable to image processing and geometric distortions and may not be very effective. Thus, the content-based detection of pirated images has become an important application. In this paper, we discuss two important aspects of such a replica detection system: distance functions for similarity measurement and scalability. We extend our previous work on perceptual distance functions, which proposed the Dynamic Partial Function (DPF), and present enhanced techniques that overcome the limitations of DPF. These techniques include the Thresholding, Sampling, and Weighting schemes. Experimental evaluations show superior performance compared to DPF and other distance functions. We then address the issue of using these perceptual distance functions to efficiently detect replicas in large image data sets. The problem of indexing is made challenging by the high-dimensionality and the nonmetric nature of the distance functions. We propose using Locality Sensitive Hashing (LSH) to index images while using the above perceptual distance functions and demonstrate good performance through empirical studies on a very large database of diverse images. PMID:15747793

  13. 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.

  14. 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…

  15. Categorization of Real and Replica Objects by 14- and 18-month-old Infants

    PubMed Central

    Arterberry, Martha E.; Bornstein, Marc H.

    2012-01-01

    In studies of infant categorization (especially sequential touching), replicas of real objects are utilized on the assumption that infants treat replicas as they do reals. Do infants categorize replicas of objects in the same way as they categorize real objects? This question was addressed in a sequential touching task, where 14- and 18-month-olds were presented with four sets of objects: real phones and hairbrushes, real lemons and pears, replica phones and hairbrushes, and replica lemons and pears. On the whole, mean run length and number of contacts did not differ between real and replica objects. Moreover, mean run length was significantly greater than chance for phones and hairbrushes, but not for lemons and pears; both ages categorized the former sets but not the latter. The findings suggest that infants of this age treat replicas as equivalent to reals and that replicas are appropriate stimuli to use in the sequential touching procedure to address questions of young children’s categorization. PMID:22742988

  16. Structure of Met-enkephalin in explicit aqueous solution using replica exchange molecular dynamics.

    PubMed

    Sanbonmatsu, K Y; García, A E

    2002-02-01

    Replica exchange molecular dynamics (MD) simulations of Met-enkephalin in explicit solvent reveal helical and nonhelical structures. Four predominant structures of Met-enkephalin are sampled with comparable probabilities (two helical and two nonhelical). The energy barriers between these configurations are low, suggesting that Met-enkephalin switches easily between configurations. This is consistent with the requirement that Met-enkephalin be sufficiently flexible to bind to several different receptors. Replica exchange simulations of 32 ns are shown to sample approximately five times more configurational space than constant temperature MD simulations of the same duration. The energy landscape for the replica exchange simulation is presented. A detailed study of replica trajectories demonstrates that the significant increases in temperature provided by the replica exchange technique enable transitions from nonhelical to helical structures that would otherwise be prevented by kinetic trapping. Met-enkephalin (Type Entrez Proteins; Value A61445; Service Entrez Proteins). PMID:11807951

  17. Integrability and symmetric spaces

    SciTech Connect

    Ferreira, L.A.

    1989-01-01

    It is shown that a sufficient condition for a model describing the motion of a particle on a coset space to possess a Fundamental Poisson bracket Relation, and consequently charges in involution, is that it must be a symmetric space. The conditions, a Hamiltonian, or any functions of the canonical variables, has to satisfy in order to commute with these charges, are studied. It is show that, for the case of the noncompact symmetric spaces, these conditions lead to an algebraic structure which lays an important role in the construction of conserved quantities.

  18. 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.

  19. 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.

  20. 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. PMID:19831433

  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. 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.

  3. 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.

  4. 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

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

    PubMed

    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

  6. 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.

  7. pH Replica-Exchange Method based on discrete protonation states

    PubMed Central

    Itoh, Satoru G.; Damjanović, Ana; Brooks, Bernard R.

    2012-01-01

    We propose a new algorithm for obtaining proton titration curves of ionizable residues. The algorithm is a pH replica-exchange method (PHREM) which is based on the constant pH algorithm of Mongan et al. [1]. In the original replica-exchange method, simulations of different replicas are performed at different temperature, and the temperatures are exchanged between the replicas. In our pH replica-exchange method, simulations of different replicas are performed at different pH values, and the pHs are exchanged between the replicas. The PHREM was applied to a blocked amino acid and to two protein systems (Snake Cardiotoxin and Turkey Ovomucoid Third Domain), in conjunction with a generalized Born implicit solvent. The performance and accuracy of this algorithm and the original constant pH method (PHMD) were compared. For a single set of simulations at different pHs, the use of PHREM yields more accurate Hill coefficients of titratable residues. By performing multiple sets of constant pH simulations started with different initial states the accuracy of predicted pKa values and Hill coefficients obtained with PHREM and PHMD methods becomes comparable. However, the PHREM algorithm exhibits better samplings of the protonation states of titratable residues and less scatter of the titration points and thus better precision of measured pKa values and Hill coefficients. In addition, PHREM exhibits faster convergence of individual simulations than the original constant pH algorithm. PMID:22002801

  8. 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.

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

    NASA Astrophysics Data System (ADS)

    Panchenko, Dmitry

    2016-02-01

    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.

  10. Replica-exchange-with-tunneling for fast exploration of protein landscapes

    NASA Astrophysics Data System (ADS)

    Yaşar, Fatih; Bernhardt, Nathan A.; Hansmann, Ulrich H. E.

    2015-12-01

    While the use of replica-exchange molecular dynamics in protein simulations has become ubiquitous, its utility is limited in many practical applications. We propose to overcome some shortcomings that hold back its use in settings such as multi-scale or explicit solvent simulations by integrating ideas of hybrid MC/MD into the replica-exchange protocol. This Replica-Exchange-with-Tunneling method is tested by simulating the Trp-cage protein, a system often used in molecular biophysics for testing sampling techniques.

  11. 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.

  12. A replica technique for extracting precipitates from zirconium alloys for transmission electron microscopy analysis.

    PubMed

    Ng-Yelim, J; Woo, O T; Carpenter, G J

    1990-08-01

    A reliable two-stage carbon replica technique has been developed to extract precipitates from zirconium alloys. Using this technique, all precipitating phases can be extracted from Zircaloy-2, Zr-Cr-Fe, and Zr-Nb-Fe alloys. Precipitate identification using EDS X-ray analysis and convergent beam electron diffraction was greatly facilitated in comparison to thin foils. In addition, the sensitivity for the detection of trace elements in particles was increased using extraction replicas. The chemical compositions of the precipitates as determined from both replica and thin foils were in excellent agreement. PMID:2391566

  13. 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.

  14. Anisotropic symmetric exchange as a new mechanism for multiferroicity

    NASA Astrophysics Data System (ADS)

    Feng, J. S.; Xiang, H. J.

    2016-05-01

    Discovering new magnetoelectric multiferroics is an exciting research area. Very recently, a collinear antiferromagnetic spin order was found to induce a ferroelectric polarization in a highly symmetric cubic perovskite LaMn3Cr4O12 . This spin-driven ferroelectricity could not be explained by any of the existing multiferroic models. Here, we put forward a new model, i.e., anisotropic symmetric exchange, to understand this phenomenon, which was confirmed by density functional calculations and tight-binding simulations. Furthermore, our perturbation analysis shows that the anisotropic symmetric exchange term can be even stronger than the conventional contributions in some 5 d systems. Our multiferroic model can not only explain the experimental results, but also may open a new avenue for exploring exotic magnetoelectric coupling effects.

  15. 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.

  16. Multiple symmetric lipomatosis.

    PubMed

    Lee, M S; Lee, M H; Hur, K B

    1988-12-01

    Multiple symmetric lipomatosis (MSL) is an extremely uncommon disorder. In the medical literatures about 200 cases have been reported. MSL is not associated with other generalized lipomatous disorders, nor are these patient to be necessarily obese. The cause of MSL is unknown. The disorder usually occurs in middle-aged males and there is frequently a history of alcoholism. Some instances of familial occurrence have been reported, but the majority of cases are sporadic. Two cases of MSL are presented. PMID:3267365

  17. The symmetric orbifold of {N}=2 minimal models

    NASA Astrophysics Data System (ADS)

    Gaberdiel, Matthias R.; Kelm, Maximilian

    2016-07-01

    cThe large level limit of the {N}=2 minimal models that appear in the duality with the {N}=2 supersymmetric higher spin theory on AdS3 is shown to be a natural subsector of a certain symmetric orbifold theory. We study the relevant decompositions in both the untwisted and the twisted sector, and analyse the structure of the higher spin representations in the twisted sector in some detail. These results should help to identify the string background of which the higher spin theory is expected to describe the leading Regge trajectory in the tensionless limit.

  18. G-factors of hole bound states in spherically symmetric potentials in cubic semiconductors

    NASA Astrophysics Data System (ADS)

    Miserev, Dmitry; Sushkov, Oleg

    2016-03-01

    Holes in cubic semiconductors have effective spin 3/2 and very strong spin orbit interaction. Due to these factors properties of hole bound states are highly unusual. We consider a single hole bound by a spherically symmetric potential, this can be an acceptor or a spherically symmetric quantum dot. Linear response to an external magnetic field is characterized by the bound state Lande g-factor. We calculate analytically g-factors of all bound states.

  19. Higher spin currents in Wolf space for generic N

    NASA Astrophysics Data System (ADS)

    Ahn, Changhyun; Kim, Hyunsu

    2014-12-01

    We obtain the 16 higher spin currents with spins , , and in the superconformal Wolf space coset . The antisymmetric second rank tensor occurs in the quadratic spin- Kac-Moody currents of the higher spin-1 current. Each higher spin- current contains the above antisymmetric second rank tensor and three symmetric (and traceless) second rank tensors (i.e. three antisymmetric almost complex structures contracted by the above antisymmetric tensor) in the product of spin- and spin-1 Kac-Moody currents respectively. Moreover, the remaining higher spin currents of spins contain the combinations of the (symmetric) metric, the three almost complex structures, the antisymmetric tensor or the three symmetric tensors in the multiple product of the above Kac-Moody currents as well as the composite currents from the large nonlinear superconformal algebra.

  20. Fabrication and gas-sensing properties of hierarchical ZnO replica using down as template

    NASA Astrophysics Data System (ADS)

    Bai, Zikui; Li, Songzhan; Xu, Jie; Zhou, Yingshan; Gu, Shaojin; Tao, Yongzhen; Liu, Li; Fang, Dong; Xu, Weilin

    2016-06-01

    Hierarchical ZnO replica using down as template fabricated by a combination of low-temperature plasma treatment and sonochemical method was used in gas sensor for the detection of ethanol and formaldehyde. The morphologies and crystal structures of the hierarchical ZnO replica were characterized by field-emission scanning electron microscopy and X-ray diffraction, respectively. Results showed that the hierarchical ZnO replica retained the initial down morphology and consisted of hexagonal wurtzite structure ZnO nanocrystals. The results of resistance-temperature characteristics and responses to ethanol and formaldehyde indicated that the hierarchical ZnO film had low activation energy (0.1118 eV) and a low optimum operating temperature and that the response time was longer than recovery time. These behaviors were well explained in relation to three-dimensional network structures and the high specific surface area of the hierarchical ZnO replica.

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

    DOE PAGESBeta

    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

  2. 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.

  3. 75 FR 30300 - Restricting the Mailing of Replica or Inert Explosive Devices

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-01

    ..., 2010 (75 FR 282-283), which added restrictions to the mailing of replica and inert explosive devices in... discovered in the mail. Such evacuations resulted in unnecessary expense and loss of productivity to...

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Symmetrization for redundant channels

    NASA Technical Reports Server (NTRS)

    Tulplue, Bhalchandra R. (Inventor); Collins, Robert E. (Inventor)

    1988-01-01

    A plurality of redundant channels in a system each contain a global image of all the configuration data bases in each of the channels in the system. Each global image is updated periodically from each of the other channels via cross channel data links. The global images of the local configuration data bases in each channel are separately symmetrized using a voting process to generate a system signal configuration data base which is not written into by any other routine and is available for indicating the status of the system within each channel. Equalization may be imposed on a suspect signal and a number of chances for that signal to heal itself are provided before excluding it from future votes. Reconfiguration is accomplished upon detecting a channel which is deemed invalid. A reset function is provided which permits an externally generated reset signal to permit a previously excluded channel to be reincluded within the system. The updating of global images and/or the symmetrization process may be accomplished at substantially the same time within a synchronized time frame common to all channels.

  9. Symmetric Waveguide Orthomode Junctions

    NASA Technical Reports Server (NTRS)

    Wollack, E. J.; Grammer, W.

    2003-01-01

    Imaging applications at millimeter and submillimeter wavelengths demand precise characterization of the amplitude, spectrum, and polarization of the electromagnetic radiation. The use of a waveguide orthomode transducer (OMT) can help achieve these goals by increasing spectral coverage and sensitivity while reducing exit aperture size, optical spill, instrumental polarization offsets, and lending itself to integration in focal plane arrays. For these reasons, four-old symmetric OMTs are favored over a traditional quasi-optical wire grid for focal plane imaging arrays from a systems perspective. The design, fabrication, and test of OMTs realized with conventional split-block techniques for millimeter wave-bands are described. The design provides a return loss is -20 dB over a full waveguide band (40% bandwidth), and the cross-polarization and isolation are greater than -40 dB for tolerances readily achievable in practice. Prototype examples realized in WR10.0 and WR3.7 wavebands will be considered in detail.

  10. Symmetric Waveguide Orthomode Junctions

    NASA Technical Reports Server (NTRS)

    Wollack, E. J.; Grammer, W.

    2003-01-01

    Imaging applications at millimeter and submillimeter wavelengths demand precise characterization of the amplitude, spectrum, and polarization of the electromagnetic radiation. The use of a waveguide orthomode transducer (OMT) can help achieve these goals by increasing spectral coverage and sensitivity while reducing exit aperture size, optical spill, instrumental polarization offsets, and lending itself to integration in focal plane arrays. For these reasons, four-fold symmetric OMTs are favored over a traditional quasi-optical wire grid for focal plane imaging arrays from a systems perspective. The design, fabrication, and test of OMTs realized with conventional split-block techniques for millimeter wave-bands are described. The design provides a return loss is -20 dB over a full waveguide band (40% bandwidth), and the cross-polarization and isolation are greater than -40 dB for tolerances readily achievable in practice. Prototype examples realized in WR10.0 and WR3.7 wavebands will be considered in detail.

  11. 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.

  12. 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.

  13. 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.

  14. Screening for antimicrobial resistance in fecal samples by the replica plating method.

    PubMed Central

    Osterblad, M; Leistevuo, T; Huovinen, P

    1995-01-01

    Replica plating can be used for the detection of antibiotic resistance in normal flora. We have evaluated this application of the replica plating method by comparing it with a five-colony method. The replica plating method uses a single plate for each antibiotic, with a concentration just above that for borderline resistance. By the five-colony method, five colonies per sample were picked, chosen to represent all different colony morphologies present, and MICs were determined by a standard agar dilution method. The gram-negative, aerobic floras of 131 fecal samples were screened for resistance to ampicillin, cefuroxime, nalidixic acid, trimethoprim, sulfamethoxazole, and tetracycline by both methods. The rate of resistance detection by the two methods did not differ statistically for any of the antibiotics tested. The breakpoint concentrations used for the replica plates in the study gave results similar to those produced by the agar dilution method and the breakpoint values of the National Committee for Clinical Laboratory Standards and can thus be recommended. As the only currently used resistance detection method, replica plating facilitates an exact determination of the percentage of resistant colonies/total number of colonies (between 1 and 100%) in a sample. This revealed an uneven distribution, with only 23% of the samples having resistance frequencies in the range of 10 to 85%; usually, the resistant flora either was a small minority or was very dominant in samples with resistance. This phenomenon was present for all of the antibiotics. PMID:8586690

  15. Enhanced exchange algorithm without detailed balance condition for replica exchange method

    NASA Astrophysics Data System (ADS)

    Kondo, Hiroko X.; Taiji, Makoto

    2013-06-01

    The replica exchange method (REM) is a powerful tool for the conformational sampling of biomolecules. In this study, we propose an enhanced exchange algorithm for REM not meeting the detailed balance condition (DBC), but satisfying the balance condition in all considered exchanges between two replicas. Breaking the DBC can minimize the rejection rate and make an exchange process rejection-free as the number of replicas increases. To enhance the efficiency of REM, all possible pairs—not only the nearest neighbor—were considered in the exchange process. The test simulations of the alanine dipeptide confirmed the correctness of our method. The average traveling distance of each replica in the temperature distribution was also increased in proportion to an increase in the exchange rate. Furthermore, we applied our algorithm to the conformational sampling of the 10-residue miniprotein, chignolin, with an implicit solvent model. The results showed a faster convergence in the calculation of its free energy landscape, compared to that achieved using the normal exchange method of adjacent pairs. This algorithm can also be applied to the conventional near neighbor method and is expected to reduce the required number of replicas.

  16. A distance-aware replica adaptive data gathering protocol for Delay Tolerant Mobile Sensor Networks.

    PubMed

    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

  17. 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. PMID:25942826

  18. Silica/Ultraviolet-Cured Resin Nanocomposites for Replica Molds in Ultraviolet Nanoimprinting

    NASA Astrophysics Data System (ADS)

    Yun, Cheol Min; Kudo, Shimpei; Nagase, Koichi; Kubo, Shoichi; Nakagawa, Masaru

    2012-06-01

    Fluid UV-curable composite resins made with methacrylate-modified silica nanoparticles (NPs), a diacrylate monomer, and a photoinitiator without nonreactive solvents were prepared to develop composite replica molds in UV nanoimprinting. 1,4-Bis(acryloyloxy)butane was compatible with NPs up to an inorganic silica component of 60 wt %, and its cured composite films showed a high transmittance of >89% at an i-line wavelength of 365 nm. The fluorinated antisticking layer obtained from an antisticking reagent was formed effectively on a composite surface at which bare silica surfaces of NPs appeared by photooxidation of the composite film surface. Composite replica molds could be fabricated by putting a droplet of the composite resin on a silica substrate modified with a reactive adhesion layer, filling cavities of a fluorinated master mold with the resin under a pentafluoropropane (PFP) atmosphere, curing the molded resin by exposure to UV light, and treating the surface of the cured resin with the antisticking reagent after demolding. It was confirmed that the composite replica molds were available for step-and-repeat UV nanoimprinting using an acrylate-type UV-curable resin in PFP. The composite replica molds showed remarkably smaller release energies than the replica mold without NPs.

  19. Resource Letter SS-1: The Spin-Statistics Connection

    NASA Astrophysics Data System (ADS)

    Curceanu, Catalina; Gillaspy, J. D.; Hilborn, Robert C.

    2012-07-01

    This Resource Letter provides a guide to the literature on the spin-statistics connection and related issues such as the Pauli exclusion principle and particle indistinguishability. Journal articles and books are cited for the following topics: basic resources, general aspects of spin-statistics, the spin-statistics theorem, theories that go beyond the standard spin-statistics theorem, and experimental tests of the spin-statistics theorem and the symmetrization postulate.

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

    NASA Astrophysics Data System (ADS)

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

    2014-08-01

    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.

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

    PubMed

    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

  2. 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.

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

    PubMed Central

    2015-01-01

    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. PMID:25328493

  4. Implementation of replica-exchange umbrella sampling in the DFTB + semiempirical quantum chemistry package

    NASA Astrophysics Data System (ADS)

    Ito, Shingo; Irle, Stephan; Okamoto, Yuko

    2016-07-01

    The replica-exchange umbrella sampling (REUS) method combines replica-exchange and umbrella sampling methods and allows larger conformational sampling than conventional simulation methods. This method has been used in many studies to understand docking mechanisms and the functions of molecules. However, REUS has not been combined with quantum chemical codes. Therefore, we implemented the REUS simulation technique in the DFTB + quantum chemistry code utilizing approximate density functional theory. We performed REUS simulations of an intra-molecular proton transfer reaction of malonaldehyde and a formation of a phthalocyanine from four phthalonitriles and one iron atom to validate the reliability of our implemented REUS-DFTB + combination.

  5. 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.

  6. Exchange interactions and zero-field splittings in C3-symmetric Mn(III)6Fe(III): using molecular recognition for the construction of a series of high spin complexes based on the triplesalen ligand.

    PubMed

    Glaser, Thorsten; Heidemeier, Maik; Krickemeyer, Erich; Bögge, Hartmut; Stammler, Anja; Fröhlich, Roland; Bill, Eckhard; Schnack, Jürgen

    2009-01-19

    The reaction of the tris(tetradentate) triplesalen ligand H6talen(t-Bu2), which provides three salen-like coordination environments bridged in a meta-phenylene arrangement by a phloroglucinol backbone, with Mn(II) salts under aerobic conditions affords, in situ, the trinuclear Mn(III) triplesalen complexes [(talen(t-Bu2)){Mn(III)(solv)n}3]3+. These can be used as molecular building blocks in the reaction with [Fe(CN)6]3- as a hexaconnector to form the heptanuclear complex [{(talen(t-Bu2)){Mn(III)(solv)n}3}2{Fe(III)(CN)6}]3+ ([Mn(III)6Fe(III)]3+). The regular ligand folding observed in the trinuclear triplesalen complexes preorganizes the three metal ions for the reaction of three facially coordinated nitrogen atoms of a hexacyanometallate and provides a driving force for the formation of the heptanuclear complexes [M(t)6M(c)]n+ (M(t), terminal metal ion of the triplesalen building block; M(c), central metal ion of the hexacyanometallate) by molecular recognition, as has already been demonstrated for the single-molecule magnet [Mn(III)6Cr(III)]3+. [{(talen(t-Bu2))(Mn(III)(MeOH))3}2{Fe(III)(CN)6}][Fe(III)(CN)6] (1) was characterized by single-crystal X-ray diffraction, FTIR, ESI- and MALDI-TOF-MS, Mössbauer spectroscopy, and magnetic measurements. The molecular structure of [Mn(III)6Fe(III)]3+ is overall identical to that of [Mn(III)6Cr(III)]3+ but exhibits a different ligand folding of the Mn(III) salen subunits with a helical distortion. The Mössbauer spectra demonstrate a stronger distortion from octahedral symmetry for the central [Fe(CN)6]3- in comparison to the ionic [Fe(CN)6]3-. At low temperatures in zero magnetic fields, the Mössbauer spectra show magnetic splittings indicative of slow relaxation of the magnetization on the Mössbauer time scale. Variable-temperature-variable-field and mu(eff) versus T magnetic data have been analyzed in detail by full-matrix diagonalization of the appropriate spin-Hamiltonian, consisting of isotropic exchange, zero

  7. Spin-Tunnel Investigation of A 1/40-Scale Model of the F-111A Airplane with Store Loadings and with Supplementary Spin-Recovery Devices

    NASA Technical Reports Server (NTRS)

    Bowman, James S., Jr.; White, William L.

    1974-01-01

    An investigation has been made in the Langley spin tunnel to determine the spin and spin-recovery characteristics of the F-111A airplane in the symmetric and asymmetric stores loading conditions. Tests were also made with the model in the clean condition to determine whether the spin-recovery characteristics could be improved by the use of supplementary devices.

  8. Comment on "Replica-exchange-with-tunneling for fast exploration of protein landscapes" [J. Chem. Phys. 143, 224102 (2015)

    NASA Astrophysics Data System (ADS)

    Sakuraba, Shun

    2016-08-01

    In "Replica-exchange-with-tunneling for fast exploration of protein landscapes" [F. Yaşar et al., J. Chem. Phys. 143, 224102 (2015)], a novel sampling algorithm called "Replica Exchange with Tunneling" was proposed. However, due to its violation of the detailed balance, the algorithm fails to sample from the correct canonical ensemble.

  9. Achromatic axially symmetric wave plate.

    PubMed

    Wakayama, Toshitaka; Komaki, Kazuki; Otani, Yukitoshi; Yoshizawa, Toru

    2012-12-31

    An achromatic axially symmetric wave plate (AAS-WP) is proposed that is based on Fresnel reflections. The wave plate does not introduce spatial dispersion. It provides retardation in the wavelength domain with an axially symmetric azimuthal angle. The optical configuration, a numerical simulation, and the optical properties of the AAS-WP are described. It is composed of PMMA. A pair of them is manufactured on a lathe. In the numerical simulation, the achromatic angle is estimated and is used to design the devices. They generate an axially symmetric polarized beam. The birefringence distribution is measured in order to evaluate the AAS-WPs. PMID:23388751

  10. Symmetric Composite Laminate Stress Analysis

    NASA Technical Reports Server (NTRS)

    Wang, T.; Smolinski, K. F.; Gellin, S.

    1985-01-01

    It is demonstrated that COSMIC/NASTRAN may be used to analyze plate and shell structures made of symmetric composite laminates. Although general composite laminates cannot be analyzed using NASTRAN, the theoretical development presented herein indicates that the integrated constitutive laws of a symmetric composite laminate resemble those of a homogeneous anisotropic plate, which can be analyzed using NASTRAN. A detailed analysis procedure is presented, as well as an illustrative example.

  11. Investigation of the Airflow inside Realistic and Semi-Realistic Replicas of Human Airways

    NASA Astrophysics Data System (ADS)

    Lizal, Frantisek; Jedelsky, Jan; Belka, Miloslav; Zaremba, Matous; Maly, Milan; Jicha, Miroslav

    2015-05-01

    Measurement of velocity in human lungs during breathing cycle is a challenging task for researchers, since the measuring location is accessible only with significant difficulties. A special measuring rig consisting of optically transparent replica of human lungs, breathing simulator, particle generator and Laser-Doppler anemometer was developed and used for investigation of the velocity in specific locations of lungs during simulated breathing cycle. Experiments were performed on two different replicas of human lungs in corresponding measuring points to facilitate the analysis of the influence of the geometry and its simplification on the flow. The analysis of velocity course and turbulence intensity revealed that special attention should be devoted to the modelling of vocal cords position during breathing, as the position of laryngeal jet created by vocal cords significantly influences velocity profiles in trachea. The shapes of velocity courses during expiration proved to be consistent for both replicas; however magnitudes of peak expiratory velocity differ between the corresponding measuring points in both the replicas.

  12. Realization of a poro-elastic ultrasound replica of pulmonary tissue.

    PubMed

    Spinelli, Andrea; Vinci, Bruna; Tirella, Annalisa; Matteucci, Marco; Gargani, Luna; Ahluwalia, Arti; Domenici, Claudio; Picano, Eugenio; Chiarelli, Piero

    2012-01-01

    In this work we describe the fabrication of a biocompatible hydrophilic scaffold composed of cross-linked gelatin that mimics the porous three-dimensional structure of pulmonary tissue as well as its water content and mechanical properties. The lung replica also reproduces the characteristic sonographic signs of pulmonary interstitial syndrome, the B-lines or ultrasound lung comets. PMID:23507784

  13. 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.

  14. Deterministic replica-exchange method without pseudo random numbers for simulations of complex systems

    NASA Astrophysics Data System (ADS)

    Urano, Ryo; Okamoto, Yuko

    2015-12-01

    We propose a replica-exchange method (REM) which does not use pseudo random numbers. For this purpose, we first give a conditional probability for Gibbs sampling replica-exchange method (GSREM) based on the heat bath method. In GSREM, replica exchange is performed by conditional probability based on the weight of states using pseudo random numbers. From the conditional probability, we propose a new method called deterministic replica-exchange method (DETREM) that produces thermal equilibrium distribution based on a differential equation instead of using pseudo random numbers. This method satisfies the detailed balance condition using a conditional probability of Gibbs heat bath method and thus results can reproduce the Boltzmann distribution within the condition of the probability. We confirmed that the equivalent results were obtained by REM and DETREM with two-dimensional Ising model. DETREM can avoid problems of choice of seeds in pseudo random numbers for parallel computing of REM and gives analytic method for REM using a differential equation.

  15. 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.

  16. Spinning bodies in curved spacetime

    NASA Astrophysics Data System (ADS)

    d'Ambrosi, G.; Satish Kumar, S.; van de Vis, J.; van Holten, J. W.

    2016-02-01

    We study the motion of neutral and charged spinning bodies in curved spacetime in the test-particle limit. We construct equations of motion using a closed covariant Poisson-Dirac bracket formulation that allows for different choices of the Hamiltonian. We derive conditions for the existence of constants of motion and apply the formalism to the case of spherically symmetric spacetimes. We show that the periastron of a spinning body in a stable orbit in a Schwarzschild or Reissner-Nordstrøm background not only precesses but also varies radially. By analyzing the stability conditions for circular motion we find the innermost stable circular orbit (ISCO) as a function of spin. It turns out that there is an absolute lower limit on the ISCOs for increasing prograde spin. Finally we establish that the equations of motion can also be derived from the Einstein equations using an appropriate energy-momentum tensor for spinning particles.

  17. 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. PMID:25763966

  18. Pairwise Quantum Discord for a Symmetric Multi-Qubit System in Different Types of Noisy Channels

    NASA Astrophysics Data System (ADS)

    Guo, You-Neng; Zeng, Ke; Wang, Guo-You

    2016-06-01

    We study the pairwise quantum discord (QD) for a symmetric multi-qubit system in different types of noisy channels, such as phase-flip, amplitude damping, phase-damping, and depolarizing channels. Using the QD and geometric quantum discord (GMQD) to quantify quantum correlations, some analytical and numerical results are presented. The results show that, the QD dynamics is strongly related to the number of spin particles N as well as the initial parameter 𝜃 of the one-axis twisting collective state. With the number of spin particles N increasing, the amount of the QD increases. However, when the amount of the QD arrives at a stable maximal value, the QD is independence of the number of spin particles N increasing. The behavior of the QD is symmetrical during a period 0 ≤ 𝜃 ≤ 2 π. Moreover, we compare the QD dynamics with the GMQD for a symmetric multi-qubit system in different types of noisy channels.

  19. Mode conversion by symmetry breaking of propagating spin waves.

    SciTech Connect

    Clausen, P.; Vogt, K.; Schultheiss, H.; Schafer, S.; Obry, B.; Wolf, G.; Pirro, P.; Leven, B.; Hillebrands, B.

    2011-10-01

    We study spin-wave transport in a microstructured Ni{sub 81}Fe{sub 19} waveguide exhibiting broken translational symmetry. We observe the conversion of a beam profile composed of symmetric spin-wave width modes with odd numbers of antinodes n = 1, 3,... into a mixed set of symmetric and asymmetric modes. Due to the spatial homogeneity of the exciting field along the used microstrip antenna, quantized spin-wave modes with an even number n of antinodes across the stripe's width cannot be directly excited. We show that a break in translational symmetry may result in a partial conversion of even spin-wave waveguide modes.

  20. Non-differentiability of the effective potential and the replica symmetry breaking in the random energy model

    NASA Astrophysics Data System (ADS)

    Mukaida, Hisamitsu

    2016-01-01

    The effective potential for the two-replica system of the random energy model is exactly derived. It is an analytic function of the magnetizations of two replicas, {\\varphi }1 and {\\varphi }2 in the high-temperature phase. In the low-temperature phase, where the replica symmetry breaking takes place, the effective potential becomes non-analytic when {\\varphi }1={\\varphi }2. The non-analyticity is considered as a consequence of the condensation of the Boltzmann measure, which is a typical property of a glass phase.

  1. Looking for symmetric Bell inequalities

    NASA Astrophysics Data System (ADS)

    Bancal, Jean-Daniel; Gisin, Nicolas; Pironio, Stefano

    2010-09-01

    Finding all Bell inequalities for a given number of parties, measurement settings and measurement outcomes is in general a computationally hard task. We show that all Bell inequalities which are symmetric under the exchange of parties can be found by examining a symmetrized polytope which is simpler than the full Bell polytope. As an illustration of our method, we generate 238 885 new Bell inequalities and 1085 new Svetlichny inequalities. We find, in particular, facet inequalities for Bell experiments involving two parties and two measurement settings that are not of the Collins-Gisin-Linden-Massar-Popescu type.

  2. Pumped Spin-Current in Single Quantum Dot with Spin-Dependent Electron Temperature

    NASA Astrophysics Data System (ADS)

    Liu, Jia; Wang, Song; Du, Xiaohong

    2016-05-01

    Spin-dependent electron temperature effect on the spin pump in a single quantum dot connected to Normal and/or Ferromagnetic leads are investigated with the help of master equation method. Results show that spin heat accumulation breaks the tunneling rates balance at the thermal equilibrium state thus the charge current and the spin current are affected to some extent. Pure spin current can be obtained by adjusting pumping intensity or chemical potential of the lead. Spin heat accumulation of certain material can be detected by measuring the charge current strength in symmetric leads architectures. In practical devices, spin-dependent electron temperature effect is quite significant and our results should be useful in quantum information processing and spin Caloritronics.

  3. Pumped Spin-Current in Single Quantum Dot with Spin-Dependent Electron Temperature

    NASA Astrophysics Data System (ADS)

    Liu, Jia; Wang, Song; Du, Xiaohong

    2016-09-01

    Spin-dependent electron temperature effect on the spin pump in a single quantum dot connected to Normal and/or Ferromagnetic leads are investigated with the help of master equation method. Results show that spin heat accumulation breaks the tunneling rates balance at the thermal equilibrium state thus the charge current and the spin current are affected to some extent. Pure spin current can be obtained by adjusting pumping intensity or chemical potential of the lead. Spin heat accumulation of certain material can be detected by measuring the charge current strength in symmetric leads architectures. In practical devices, spin-dependent electron temperature effect is quite significant and our results should be useful in quantum information processing and spin Caloritronics.

  4. Shape and feature size control of colloidal crystal-based patterns using stretched polydimethylsiloxane replica molds.

    PubMed

    Choi, Hong Kyoon; Im, Sang Hyuk; Park, O Ok

    2009-10-20

    In this work, we fabricated various patterns using colloidal crystals as master molds via the soft lithography method. Even though colloidal crystals consist of spherical colloidal particles, nonspherical shaped patterns such as rectangular or elongated hexagonal shaped patterns can be fabricated using a stretched polydimethylsiloxane (PDMS) replica mold. The pattern shape and feature size can be easily controlled by changing the stretching axis and ratio of the PDMS replica mold. The deformations of the PDMS mold were simulated using the finite element method, and they are consistent with experimental results. The elongated patterns were used as templates to offer new types of colloidal crystal superlattice structures. A proposed pattern-control method will significantly expand the usefulness and diversity of micro/nanopatterning technology. PMID:19821618

  5. Neutron and gamma-ray dose-rates from the Little Boy replica

    SciTech Connect

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

    1984-01-01

    We report dose-rate information obtained at many locations in the near vicinity of, and at distances out to 0.64 km from, the Little Boy replica while it was operated as a critical assembly. The measurements were made with modified conventional dosimetry instruments that used an Anderson-Braun detector for neutrons and a Geiger-Mueller tube for gamma rays with suitable electronic modules to count particle-induced pulses. Thermoluminescent dosimetry methods provide corroborative data. Our analysis gives estimates of both neutron and gamma-ray relaxation lengths in air for comparison with earlier calculations. We also show the neutron-to-gamma-ray dose ratio as a function of distance from the replica. Current experiments and further data analysis will refine these results. 7 references, 8 figures.

  6. 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.

  7. Geometrical spin symmetry and spin

    SciTech Connect

    Pestov, I. B.

    2011-07-15

    Unification of General Theory of Relativity and Quantum Mechanics leads to General Quantum Mechanics which includes into itself spindynamics as a theory of spin phenomena. The key concepts of spindynamics are geometrical spin symmetry and the spin field (space of defining representation of spin symmetry). The essence of spin is the bipolar structure of geometrical spin symmetry induced by the gravitational potential. The bipolar structure provides a natural derivation of the equations of spindynamics. Spindynamics involves all phenomena connected with spin and provides new understanding of the strong interaction.

  8. 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.

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

    SciTech Connect

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

    2014-01-01

    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.

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

    NASA Astrophysics Data System (ADS)

    Lin, Zhixiong; van Gunsteren, Wilfred F.

    2015-07-01

    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. Evaluation of Enhanced Sampling Provided by Accelerated Molecular Dynamics with Hamiltonian Replica Exchange Methods

    PubMed Central

    2015-01-01

    Many problems studied via molecular dynamics require accurate estimates of various thermodynamic properties, such as the free energies of different states of a system, which in turn requires well-converged sampling of the ensemble of possible structures. Enhanced sampling techniques are often applied to provide faster convergence than is possible with traditional molecular dynamics simulations. Hamiltonian replica exchange molecular dynamics (H-REMD) is a particularly attractive method, as it allows the incorporation of a variety of enhanced sampling techniques through modifications to the various Hamiltonians. In this work, we study the enhanced sampling of the RNA tetranucleotide r(GACC) provided by H-REMD combined with accelerated molecular dynamics (aMD), where a boosting potential is applied to torsions, and compare this to the enhanced sampling provided by H-REMD in which torsion potential barrier heights are scaled down to lower force constants. We show that H-REMD and multidimensional REMD (M-REMD) combined with aMD does indeed enhance sampling for r(GACC), and that the addition of the temperature dimension in the M-REMD simulations is necessary to efficiently sample rare conformations. Interestingly, we find that the rate of convergence can be improved in a single H-REMD dimension by simply increasing the number of replicas from 8 to 24 without increasing the maximum level of bias. The results also indicate that factors beyond replica spacing, such as round trip times and time spent at each replica, must be considered in order to achieve optimal sampling efficiency. PMID:24625009

  13. Intensity-symmetric Airy beams.

    PubMed

    Vaveliuk, P; Lencina, Alberto; Rodrigo, Jose A; Martnez-Matos, Ó

    2015-03-01

    Theoretical, numerical, and experimental research on a novel family of Airy beams in rectangular coordinates having a symmetric transverse pattern of light intensity is presented. The intensity-symmetric Airy beams include both the symmetric Airy beam whose field amplitude is an even function of the transverse coordinates and the antisymmetric Airy beam whose field amplitude is an odd function of such coordinates. The theoretical foundations are based on the relationship of the symmetries of the spectral phase with the cosine and sine Fourier transforms. These beams are analyzed in a propagation range also including the region preceding the Fourier plane. These beams exhibit autofocusing, collapse, self-bending, and reversal propagation. Moreover, the intensity distribution is strongly asymmetric with respect to the Fourier plane. All these peculiar features were not reported for other classes of paraxial beams in a rectangular frame. The experimental generation of intensity-symmetric Airy beams is demonstrated supporting the theoretical predictions. Possible applications in planar waveguide writing and optical trapping are also discussed. PMID:26366655

  14. Bumblebee preference for symmetrical flowers.

    PubMed

    Møller, A P

    1995-03-14

    Fluctuating asymmetry, which represents small random deviations from otherwise bilateral symmetry, is a measure of the phenotypic quality of individuals indicating the ability of controlled development under given environmental and genetic conditions. I tested whether floral symmetry reliably reflects phenotypic quality measured in terms of pollinator rewards and whether pollinators respond to floral symmetry in a series of observations and experiments on Epilobium angustifolium (Onagraceae). Lower petal asymmetry was negatively related to mean lower petal length, whereas asymmetry in leaf width was positively related to mean leaf width. Flowers visited by bumblebees were larger and more symmetrical than the nearest neighboring flower. This relationship between pollinator preference for large and symmetrical flowers was demonstrated to be causal in experiments in which the lower petals were manipulated symmetrically or asymmetrically. Nectar production was larger in symmetrical flowers, and this may explain the bumblebee preference for flower symmetry. Floral symmetry therefore reliably reflects nectar production and hence enhances pollen transport. Extensive embryo abortion has been documented in E. angustifolium and other outcrossing plant species. Floral fluctuating asymmetry, which reflects general developmental homeostasis, may explain such developmental selection in these plants. PMID:11607519

  15. A scheme for symmetrization verification

    NASA Astrophysics Data System (ADS)

    Sancho, Pedro

    2011-08-01

    We propose a scheme for symmetrization verification in two-particle systems, based on one-particle detection and state determination. In contrast to previous proposals, it does not follow a Hong-Ou-Mandel-type approach. Moreover, the technique can be used to generate superposition states of single particles.

  16. 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…

  17. pH-replica exchange molecular dynamics in proteins using a discrete protonation method.

    PubMed

    Sabri Dashti, Danial; Meng, Yilin; Roitberg, Adrian E

    2012-08-01

    Protonation equilibria in biological molecules modulates structure, dynamics, and function. A pH-replica exchange molecular dynamics (pH-REMD) method is described here to improve the coupling between conformational and protonation sampling. Under a Hamiltonian replica exchange setup, conformations are swapped between two neighboring replicas, which themselves are at different pHs. The method has been validated on a series of biological systems. We applied pH-REMD to a series of model compounds, to an terminally charged ADFDA pentapeptide, and to a heptapeptide derived from the ovomucoid third domain (OMTKY3). In all of those systems, the predicted pK(a) by pH-REMD is very close to the experimental value and almost identical to the ones obtained by constant pH molecular dynamics (CpH MD). The method presented here, pH-REMD, has the advantage of faster convergence properties due to enhanced sampling of both conformation and protonation spaces. PMID:22694266

  18. Two-dimensional replica exchange approach for peptide-peptide interactions

    NASA Astrophysics Data System (ADS)

    Gee, Jason; Shell, M. Scott

    2011-02-01

    The replica exchange molecular dynamics (REMD) method has emerged as a standard approach for simulating proteins and peptides with rugged underlying free energy landscapes. We describe an extension to the original methodology—here termed umbrella-sampling REMD (UREMD)—that offers specific advantages in simulating peptide-peptide interactions. This method is based on the use of two dimensions in the replica cascade, one in temperature as in conventional REMD, and one in an umbrella sampling coordinate between the center of mass of the two peptides that aids explicit exploration of the complete association-dissociation reaction coordinate. To mitigate the increased number of replicas required, we pursue an approach in which the temperature and umbrella dimensions are linked at only fully associated and dissociated states. Coupled with the reweighting equations, the UREMD method aids accurate calculations of normalized free energy profiles and structural or energetic measures as a function of interpeptide separation distance. We test the approach on two families of peptides: a series of designed tetrapeptides that serve as minimal models for amyloid fibril formation, and a fragment of a classic leucine zipper peptide and its mutant. The results for these systems are compared to those from conventional REMD simulations, and demonstrate good convergence properties, low statistical errors, and, for the leucine zippers, an ability to sample near-native structures.

  19. 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.

  20. Effect of roughness and material strength on the mechanical properties of fracture replicas

    SciTech Connect

    Wibowo, J.; Amadei, B.; Sture, S.

    1995-08-01

    This report presents the results of 11 rotary shear tests conducted on replicas of three hollow cylinders of natural fractures with JRC values of 7.7, 9.4 and 12.0. The JRC values were determined from the results of laser profilometer measurements. The replicas were created from gypsum cement. By varying the water-to-gypsum cement ratio from 30 to 45%, fracture replicas with different values of compressive strength (JCS) were created. The rotary shear experiments were performed under constant normal (nominal) stresses ranging between 0.2 and 1.6 MPa. In this report, the shear test results are compared with predictions using Barton`s empirical peak shear strength equation. observations during the experiments indicate that only certain parts of the fracture profiles influence fracture shear strength and dilatancy. Under relatively low applied normal stresses, the JCS does not seem to have a significant effect on shear behavior. As an alternative, a new procedure for predicting the shear behavior of fractures was developed. The approach is based on basic fracture properties such as fracture surface profile data and the compressive strength, modulus of elasticity, and Poisson`s ratio of the fracture walls. Comparison between predictions and actual shear test results shows that the alternative procedure is a reliable method.

  1. 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. PMID:26946917

  2. 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.

  3. Finite size effects in the averaged eigenvalue density of Wigner random-sign real symmetric matrices

    NASA Astrophysics Data System (ADS)

    Dhesi, G. S.; Ausloos, M.

    2016-06-01

    Nowadays, strict finite size effects must be taken into account in condensed matter problems when treated through models based on lattices or graphs. On the other hand, the cases of directed bonds or links are known to be highly relevant in topics ranging from ferroelectrics to quotation networks. Combining these two points leads us to examine finite size random matrices. To obtain basic materials properties, the Green's function associated with the matrix has to be calculated. To obtain the first finite size correction, a perturbative scheme is hereby developed within the framework of the replica method. The averaged eigenvalue spectrum and the corresponding Green's function of Wigner random sign real symmetric N ×N matrices to order 1 /N are finally obtained analytically. Related simulation results are also presented. The agreement is excellent between the analytical formulas and finite size matrix numerical diagonalization results, confirming the correctness of the first-order finite size expression.

  4. Conformally flat static spherically symmetric perfect-fluid distribution in Einstein-Cartan theory

    NASA Astrophysics Data System (ADS)

    Kalyanshetti, S. B.; Waghmode, B. B.

    1983-06-01

    We consider the static, conformally flat spherically symmetric perfect-fluid distribution in Einstein-Cartan theory and obtain the field equations. These field equations are solved by adopting Hehl's approach with the assumption that the spins of the particles composing the fluid are all aligned in the radial direction only and the reality conditions are discussed.

  5. Skyrmions and vector mesons: a symmetric approach

    SciTech Connect

    Caldi, D.G.

    1984-01-01

    We propose an extension of the effective, low-energy chiral Lagrangian known as the Skyrme model, to one formulated by a non-linear sigma model generalized to include vector mesons in a symmetric way. The model is based on chiral SU(6) x SU(6) symmetry spontaneously broken to static SU(6). The rho and other vector mesons are dormant Goldstone bosons since they are in the same SU(6) multiplet as the pion and other pseudoscalars. Hence the manifold of our generalized non-linear sigma model is the coset space (SU(6) x SU(6))/Su(6). Relativistic effects, via a spin-dependent mass term, break the static SU(6) and give the vectors a mass. The model can then be fully relativistic and covariant. The lowest-lying Skyrmion in this model is the whole baryonic 56-plet, which splits into the octet and decuplet in the presence of relativistic SU(6)-breaking. Due to the built-in SU(6) and the presence of vector mesons, the model is expected to have better phenomenological results, as well as providing a conceptually more unified picture of mesons and baryons. 29 references.

  6. Symmetric Discrete Orthonormal Stockwell Transform

    NASA Astrophysics Data System (ADS)

    Wang, Yanwei; Orchard, Jeff

    2008-09-01

    The Stockwell Transform (ST) is a time-frequency signal decomposition that is gaining in popularity, likely because of its direct relation with the Fourier Transform (FT). A discrete and non-redundant version of the ST, denoted the Discrete Orthonormal Stockwell Transform (DOST), has made the use of the ST more feasible. However, the matrix multiplication required by the DOST can still be a formidable computation, especially for high-dimensional data. Moreover, the symmetric property of the ST and FT is not present in the DOST. In this paper, we investigate a new Symmetric Discrete Orthonormal Stockwell Transform (SDOST) that still keeps the non-redundant multiresolution features of the DOST, while maintaining a symmetry property similar to that of the FT. First, we give a brief introduction for the ST and the DOST. Then we analyze the DOST coefficients and modify the transform to get a symmetric version. A small experiment shows that the SDOST has kept the abilities of the DOST and demonstrates the advantage of symmetry when applying the SDOST.

  7. PT-symmetric quantum theory

    NASA Astrophysics Data System (ADS)

    Bender, Carl M.

    2015-07-01

    The average quantum physicist on the street would say that a quantum-mechanical Hamiltonian must be Dirac Hermitian (invariant under combined matrix transposition and complex conjugation) in order to guarantee that the energy eigenvalues are real and that time evolution is unitary. However, the Hamiltonian H = p2 + ix3, which is obviously not Dirac Hermitian, has a positive real discrete spectrum and generates unitary time evolution, and thus it defines a fully consistent and physical quantum theory. Evidently, the axiom of Dirac Hermiticity is too restrictive. While H = p2 + ix3 is not Dirac Hermitian, it is PT symmetric; that is, invariant under combined parity P (space reflection) and time reversal T. The quantum mechanics defined by a PT-symmetric Hamiltonian is a complex generalization of ordinary quantum mechanics. When quantum mechanics is extended into the complex domain, new kinds of theories having strange and remarkable properties emerge. In the past few years, some of these properties have been verified in laboratory experiments. A particularly interesting PT-symmetric Hamiltonian is H = p2 - x4, which contains an upside-down potential. This potential is discussed in detail, and it is explained in intuitive as well as in rigorous terms why the energy levels of this potential are real, positive, and discrete. Applications of PT-symmetry in quantum field theory are also discussed.

  8. Viscosity in spherically symmetric accretion

    NASA Astrophysics Data System (ADS)

    Ray, Arnab K.

    2003-10-01

    The influence of viscosity on the flow behaviour in spherically symmetric accretion has been studied here. The governing equation chosen has been the Navier-Stokes equation. It has been found that at least for the transonic solution, viscosity acts as a mechanism that detracts from the effectiveness of gravity. This has been conjectured to set up a limiting scale of length for gravity to bring about accretion, and the physical interpretation of such a length scale has been compared with the conventional understanding of the so-called `accretion radius' for spherically symmetric accretion. For a perturbative presence of viscosity, it has also been pointed out that the critical points for inflows and outflows are not identical, which is a consequence of the fact that under the Navier-Stokes prescription, there is a breakdown of the invariance of the stationary inflow and outflow solutions - an invariance that holds good under inviscid conditions. For inflows, the critical point gets shifted deeper within the gravitational potential well. Finally, a linear stability analysis of the stationary inflow solutions, under the influence of a perturbation that is in the nature of a standing wave, has indicated that the presence of viscosity induces greater stability in the system than has been seen for the case of inviscid spherically symmetric inflows.

  9. Spinning fluids in the Einstein-Cartan theory

    NASA Technical Reports Server (NTRS)

    Ray, J. R.; Smalley, L. L.

    1983-01-01

    An Eulerian variational principle for a spinning fluid in the Einstein-Cartan metric-torsion theory is presented. The variational principle yields the complete set of field equations for the system. The symmetric energy-momentum tensor is a sum of a perfect-fluid term and a spin term.

  10. 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.

  11. 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. PMID:27389217

  12. Unveiling the photonic spin Hall effect with asymmetric spin-dependent splitting.

    PubMed

    Zhou, Xinxing; Ling, Xiaohui

    2016-02-01

    The photonic spin Hall effect (SHE) manifests itself as the spin-dependent splitting of light beam. Usually, it shows a symmetric spin-dependent splitting, i.e., the left- and right-handed circularly polarized components are equally separated in position and intensity for linear polarization incidence. In this paper, we theoretically propose an asymmetric spin-dependent splitting at an air-glass interface under the illumination of elliptical polarization beam and experimentally demonstrate it with the weak measurement method. The left- and right-handed circularly polarized components show expectedly unequal intensity distributions and unexpectedly different spin-dependent shifts. Remarkably, the asymmetric spin-dependent splitting can be modulated by adjusting the handedness of incident polarization. The inherent physics behind this interesting phenomenon is attributed to the additional spatial Imbert-Fedorov shift. These findings offer us potential methods for developing new spin-based nanophotonic applications. PMID:26906868

  13. 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.

  14. 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

    2016-02-01

    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.

  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. Non-analytic quantum oscillator image of complete replica symmetry breaking

    NASA Astrophysics Data System (ADS)

    Oppermann, R.; Schenck, H.

    2012-01-01

    We describe the effect of replica symmetry breaking in the field distribution function P(h) of the T = 0 Sherrington-Kirkpatrick (SK) model as the difference between a split Gaussian and the first excited state ψ1 of a weakly anharmonic oscillator with non-analytic shift by means of the analogy P(h) ↔ |ψ1(x)|. New numerical calculations of the leading 100 orders of replica symmetry breaking (RSB) were performed in order to obtain P(h), employing the exact mapping between the density of states ρ(E) of the fermionic SK model and P(h) of the standard model, as derived by Perez-Castillo and Sherrington. Fast convergence towards a fixed point function ρ(E) for infinite steps of RSB is observed. A surprisingly small number of harmonic oscillator wavefunctions suffices to represent this fixed point function. This allows us to determine an anharmonic potential V(x) with non-analytic shift, whose first excited state represents ρ(E) and hence P(h). The harmonic potential with unconventional shift V 2(x) ∼ (|x| - x 0)2 = (x - x 0 sign(x))2 already yields a very good approximation, since anharmonic couplings of V(x) - V 2(x) ∼ |x| m , m > 2, decay rapidly with increasing m. We compare the pseudo-gap-forming effect of replica symmetry breaking, hosted by the fermionic SK model, with the analogous effect in the Coulomb glass as designed by Davies, Lee and Rice, and described by Müller and Pankov.

  17. 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

  18. 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.

  19. 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.

  20. Polyurethane Foam-Filled Skull Replica of Craniosynostosis for Surgical Training.

    PubMed

    Jeong, Yeon Jin; Lee, Jun Yong

    2016-05-01

    Craniosynostosis has a relatively low incidence in the general population and its treatment requires cautious approaches. For these reasons, patients are usually referred to several specialists or a medical center. Therefore, most trainees and young surgeons do not have any chances to experience patients of craniosynostosis, but learn about it only from textbooks. And for a surgeon who tries to operate on a craniosynostosis patient, it is hard to make a proper preoperative plan.The authors suggest a polyurethane foam-filled skull replica of craniosynostosis for trainees that can also be used in planning a craniosynostosis operation. PMID:27054421

  1. 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. PMID:21639414

  2. Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange.

    PubMed

    Nguyen, Trung Hai; Minh, David D L

    2016-05-10

    We investigate the relationship between the number of intermediate thermodynamic states along a pathway and the precision of free energy estimates. With a sufficient number of states, the asymptotic variance collapses as a function of the total sample size. Our analytical result is corroborated by replica exchange molecular dynamics simulations of model systems in which the neighbor exchange rate exceeds 35%. Precision collapse is also observed in heat capacity estimates based on the multistate Bennett acceptance ratio. In contrast to the relaxation and mean first-passage times, the autocorrelation time of state indices is found to be relevant to free energy convergence. PMID:27054658

  3. 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.

  4. Position dependent spin wave spectrum in nanostrip magnonic waveguides

    SciTech Connect

    Wang, Qi; Zhang, Huaiwu; Ma, Guokun; Liao, Yulong; Zhong, Zhiyong; Zheng, Yun

    2014-04-07

    The dispersion curves of propagating spin wave along different positions in nanostrip magnonic waveguides were studied by micromagnetic simulation. The results show that the modes of spin wave in the nanostrip magnonic waveguide are dependent on the position and the weak even modes of spin wave are excited even by symmetric excitation fields in a nanostrip magnonic waveguide. The reasons of the position dependent dispersion curve are explained by associating with geometrical confinement in the nanostrip magnonic waveguide.

  5. A modified procedure for replica plating of mammalian cells allowing selection of clones based on gene expression.

    PubMed

    Hornsby, P J; Yang, L; Lala, D S; Cheng, C Y; Salmons, B

    1992-02-01

    The polyester cloth replica-plating technique for selection of mammalian cell clones was modified by growing cells in colonies on a flexible polytetrafluoroethylene membrane and then transferring them completely to polyester cloth (27-microns mesh), from which a replica was made by allowing cells to transfer to a cloth of smaller pore size (17-microns mesh). Using this technique, two phenotype selection methods are demonstrated here: in situ hybridization for detection of a specific mRNA and a photographic film assay for detection of luciferase expression. Cells were transfected with pSV2AL-A delta 5' in which firefly luciferase cDNA is under the control of the simian virus 40 promoter. The luciferase assay was adapted for colonies on polyester cloth; cells were permeabilized with digitonin to allow access of ATP and luciferin to the cell without disruption of colonies. Clones selected for expression or nonexpression of luciferase by the photographic film assay were positive or negative for expression after isolation from the cloth replica and subsequent growth under conventional culture conditions. The replica-plating procedure described here should be generally applicable to most mammalian cell types. The ability to produce replicas of colonies, combined with in situ hybridization or assays that can be adapted to in situ detection, provides phenotype selection for clones based on gene expression independent of growth characteristics. PMID:1616718

  6. Characterization of the three-dimensional free energy manifold for the uracil ribonucleoside from asynchronous replica exchange simulations.

    PubMed

    Radak, Brian K; Romanus, Melissa; Lee, Tai-Sung; Chen, Haoyuan; Huang, Ming; Treikalis, Antons; Balasubramanian, Vivekanandan; Jha, Shantenu; York, Darrin M

    2015-02-10

    Replica exchange molecular dynamics has emerged as a powerful tool for efficiently sampling free energy landscapes for conformational and chemical transitions. However, daunting challenges remain in efficiently getting such simulations to scale to the very large number of replicas required to address problems in state spaces beyond two dimensions. The development of enabling technology to carry out such simulations is in its infancy, and thus it remains an open question as to which applications demand extension into higher dimensions. In the present work, we explore this problem space by applying asynchronous Hamiltonian replica exchange molecular dynamics with a combined quantum mechanical/molecular mechanical potential to explore the conformational space for a simple ribonucleoside. This is done using a newly developed software framework capable of executing >3,000 replicas with only enough resources to run 2,000 simultaneously. This may not be possible with traditional synchronous replica exchange approaches. Our results demonstrate 1.) the necessity of high dimensional sampling simulations for biological systems, even as simple as a single ribonucleoside, and 2.) the utility of asynchronous exchange protocols in managing simultaneous resource requirements expected in high dimensional sampling simulations. It is expected that more complicated systems will only increase in computational demand and complexity, and thus the reported asynchronous approach may be increasingly beneficial in order to make such applications available to a broad range of computational scientists. PMID:26580900

  7. Symmetric spaces of exceptional groups

    SciTech Connect

    Boya, L. J.

    2010-02-15

    We address the problem of the reasons for the existence of 12 symmetric spaces with the exceptional Lie groups. The 1 + 2 cases for G{sub 2} and F{sub 4}, respectively, are easily explained from the octonionic nature of these groups. The 4 + 3 + 2 cases on the E{sub 6,7,8} series require the magic square of Freudenthal and, for the split case, an appeal to the supergravity chain in 5, 4, and 3 space-time dimensions.

  8. 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.

  9. Reconstructing the Most Probable Folding Transition Path from Replica Exchange Molecular Dynamics Simulations.

    PubMed

    Jimenez-Cruz, Camilo Andres; Garcia, Angel E

    2013-08-13

    The characterization of transition pathways between long-lived states, and the identification of the corresponding transition state ensembles are useful tools in the study of rare events such as protein folding. In this work we demonstrate how the most probable transition path between metastable states can be recovered from replica exchange molecular dynamic simulation data by using the dynamic string method. The local drift vector in collective variables is determined via short continuous trajectories between replica exchanges at a given temperature, and points along the string are updated based on this drift vector to produce reaction pathways between the folded and unfolded state. The method is applied to a designed beta hairpin-forming peptide to obtain information on the folding mechanism and transition state using different sets of collective variables at various temperatures. Two main folding pathways differing in the order of events are found and discussed, and the relative free energy differences for each path estimated. Finally, the structures near the transition state are found and described. PMID:26584126

  10. High-Fidelity Replica Molding of Glassy Liquid Crystalline Polymer Microstructures.

    PubMed

    Zhao, Hangbo; Wie, Jeong Jae; Copic, Davor; Oliver, C Ryan; Orbaek White, Alvin; Kim, Sanha; Hart, A John

    2016-03-01

    Liquid crystalline polymers have recently been engineered to exhibit complex macroscopic shape adaptivity, including optically- and thermally driven bending, self-sustaining oscillation, torsional motion, and three-dimensional folding. Miniaturization of these novel materials is of great interest for both fundamental study of processing conditions and for the development of shape-changing microdevices. Here, we present a scalable method for high-fidelity replica molding of glassy liquid crystalline polymer networks (LCNs), by vacuum-assisted replica molding, along with magnetic field-induced control of the molecular alignment. We find that an oxygen-free environment is essential to establish high-fidelity molding with low surface roughness. Identical arrays of homeotropic and polydomain LCN microstructures are fabricated to assess the influence of molecular alignment on the elastic modulus (E = 1.48 GPa compared to E = 0.54 GPa), and side-view imaging is used to quantify the reversible thermal actuation of individual LCN micropillars by high-resolution tracking of edge motion. The methods and results from this study will be synergistic with future advances in liquid crystalline polymer chemistry, and could enable the scalable manufacturing of stimuli-responsive surfaces for applications including microfluidics, tunable optics, and surfaces with switchable wetting and adhesion. PMID:26943057